USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 640 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 Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -4.41 K(o=-4.4,f=-5.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.92! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0.00308 (180deg=0.00105) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -138:sc= -1.68! USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.15 (180deg=-0.709) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 52 SER OG : rot -96:sc= 1.22 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 156:sc= 0.473 (180deg=0.0239) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.067) USER MOD Single : A 80 THR OG1 : rot 116:sc= -3.03! USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 15.492 6.783 5.320 1.00 2.87 N ATOM 28 CA GLN A 3 14.184 7.339 4.990 1.00 2.29 C ATOM 29 C GLN A 3 13.300 6.295 4.316 1.00 1.97 C ATOM 30 O GLN A 3 13.795 5.362 3.684 1.00 2.17 O ATOM 31 CB GLN A 3 14.338 8.556 4.078 1.00 2.41 C ATOM 32 CG GLN A 3 14.911 9.775 4.783 1.00 3.17 C ATOM 33 CD GLN A 3 15.774 10.625 3.871 1.00 3.60 C ATOM 34 OE1 GLN A 3 16.924 10.925 4.189 1.00 3.44 O ATOM 35 NE2 GLN A 3 15.221 11.019 2.729 1.00 4.47 N ATOM 0 HA GLN A 3 13.706 7.647 5.920 1.00 2.29 H new ATOM 0 HB2 GLN A 3 14.985 8.293 3.241 1.00 2.41 H new ATOM 0 HB3 GLN A 3 13.364 8.812 3.660 1.00 2.41 H new ATOM 0 HG2 GLN A 3 14.094 10.382 5.173 1.00 3.17 H new ATOM 0 HG3 GLN A 3 15.503 9.450 5.638 1.00 3.17 H new ATOM 0 HE21 GLN A 3 14.264 10.747 2.505 1.00 4.47 H new ATOM 0 HE22 GLN A 3 15.754 11.594 2.076 1.00 4.47 H new ATOM 44 N VAL A 4 11.987 6.457 4.459 1.00 1.57 N ATOM 45 CA VAL A 4 11.033 5.527 3.868 1.00 1.29 C ATOM 46 C VAL A 4 9.870 6.257 3.204 1.00 1.28 C ATOM 47 O VAL A 4 9.435 7.311 3.666 1.00 1.44 O ATOM 48 CB VAL A 4 10.461 4.547 4.915 1.00 1.17 C ATOM 49 CG1 VAL A 4 11.477 3.472 5.263 1.00 1.39 C ATOM 50 CG2 VAL A 4 10.013 5.293 6.161 1.00 1.57 C ATOM 0 H VAL A 4 11.561 7.224 4.979 1.00 1.57 H new ATOM 0 HA VAL A 4 11.588 4.967 3.115 1.00 1.29 H new ATOM 0 HB VAL A 4 9.589 4.057 4.481 1.00 1.17 H new ATOM 0 HG11 VAL A 4 11.051 2.794 6.002 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.737 2.912 4.364 1.00 1.39 H new ATOM 0 HG13 VAL A 4 12.374 3.938 5.672 1.00 1.39 H new ATOM 0 HG21 VAL A 4 9.613 4.584 6.886 1.00 1.57 H new ATOM 0 HG22 VAL A 4 10.864 5.817 6.597 1.00 1.57 H new ATOM 0 HG23 VAL A 4 9.240 6.014 5.895 1.00 1.57 H new ATOM 60 N VAL A 5 9.359 5.667 2.131 1.00 1.14 N ATOM 61 CA VAL A 5 8.230 6.224 1.401 1.00 1.22 C ATOM 62 C VAL A 5 6.950 5.553 1.876 1.00 1.03 C ATOM 63 O VAL A 5 6.925 4.350 2.123 1.00 0.92 O ATOM 64 CB VAL A 5 8.374 6.013 -0.118 1.00 1.29 C ATOM 65 CG1 VAL A 5 9.555 6.807 -0.656 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.524 4.532 -0.441 1.00 1.70 C ATOM 0 H VAL A 5 9.714 4.793 1.744 1.00 1.14 H new ATOM 0 HA VAL A 5 8.199 7.296 1.593 1.00 1.22 H new ATOM 0 HB VAL A 5 7.469 6.376 -0.605 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.642 6.646 -1.731 1.00 1.79 H new ATOM 0 HG12 VAL A 5 9.400 7.868 -0.459 1.00 1.79 H new ATOM 0 HG13 VAL A 5 10.470 6.476 -0.164 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.624 4.403 -1.519 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.411 4.139 0.056 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.644 3.992 -0.091 1.00 1.70 H new ATOM 76 N GLN A 6 5.901 6.338 2.048 1.00 1.03 N ATOM 77 CA GLN A 6 4.641 5.807 2.545 1.00 0.85 C ATOM 78 C GLN A 6 3.630 5.555 1.438 1.00 0.83 C ATOM 79 O GLN A 6 3.543 6.306 0.467 1.00 0.94 O ATOM 80 CB GLN A 6 4.046 6.772 3.563 1.00 0.83 C ATOM 81 CG GLN A 6 3.702 6.125 4.891 1.00 1.45 C ATOM 82 CD GLN A 6 3.706 7.119 6.039 1.00 1.81 C ATOM 83 OE1 GLN A 6 3.986 6.760 7.183 1.00 2.26 O ATOM 84 NE2 GLN A 6 3.390 8.380 5.744 1.00 2.01 N ATOM 0 H GLN A 6 5.894 7.339 1.853 1.00 1.03 H new ATOM 0 HA GLN A 6 4.860 4.845 3.009 1.00 0.85 H new ATOM 0 HB2 GLN A 6 4.753 7.583 3.737 1.00 0.83 H new ATOM 0 HB3 GLN A 6 3.145 7.219 3.143 1.00 0.83 H new ATOM 0 HG2 GLN A 6 2.719 5.659 4.821 1.00 1.45 H new ATOM 0 HG3 GLN A 6 4.417 5.330 5.100 1.00 1.45 H new ATOM 0 HE21 GLN A 6 3.164 8.638 4.783 1.00 2.01 H new ATOM 0 HE22 GLN A 6 3.374 9.087 6.479 1.00 2.01 H new ATOM 93 N PHE A 7 2.844 4.501 1.622 1.00 0.74 N ATOM 94 CA PHE A 7 1.801 4.146 0.678 1.00 0.78 C ATOM 95 C PHE A 7 0.439 4.428 1.311 1.00 0.62 C ATOM 96 O PHE A 7 0.207 4.097 2.481 1.00 0.55 O ATOM 97 CB PHE A 7 1.928 2.671 0.262 1.00 0.86 C ATOM 98 CG PHE A 7 0.669 2.091 -0.320 1.00 0.97 C ATOM 99 CD1 PHE A 7 0.415 2.169 -1.679 1.00 0.98 C ATOM 100 CD2 PHE A 7 -0.264 1.483 0.500 1.00 1.14 C ATOM 101 CE1 PHE A 7 -0.749 1.647 -2.208 1.00 1.17 C ATOM 102 CE2 PHE A 7 -1.428 0.958 -0.022 1.00 1.29 C ATOM 103 CZ PHE A 7 -1.672 1.041 -1.377 1.00 1.29 C ATOM 0 H PHE A 7 2.913 3.875 2.424 1.00 0.74 H new ATOM 0 HA PHE A 7 1.903 4.748 -0.225 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.731 2.578 -0.469 1.00 0.86 H new ATOM 0 HB3 PHE A 7 2.219 2.082 1.132 1.00 0.86 H new ATOM 0 HD1 PHE A 7 1.134 2.642 -2.331 1.00 0.98 H new ATOM 0 HD2 PHE A 7 -0.079 1.418 1.562 1.00 1.14 H new ATOM 0 HE1 PHE A 7 -0.938 1.712 -3.269 1.00 1.17 H new ATOM 0 HE2 PHE A 7 -2.147 0.483 0.629 1.00 1.29 H new ATOM 0 HZ PHE A 7 -2.583 0.633 -1.788 1.00 1.29 H new ATOM 113 N LYS A 8 -0.442 5.058 0.538 1.00 0.60 N ATOM 114 CA LYS A 8 -1.773 5.413 1.017 1.00 0.54 C ATOM 115 C LYS A 8 -2.867 4.889 0.091 1.00 0.68 C ATOM 116 O LYS A 8 -2.706 4.865 -1.129 1.00 0.77 O ATOM 117 CB LYS A 8 -1.899 6.935 1.135 1.00 0.61 C ATOM 118 CG LYS A 8 -1.964 7.644 -0.209 1.00 1.40 C ATOM 119 CD LYS A 8 -2.181 9.139 -0.042 1.00 2.22 C ATOM 120 CE LYS A 8 -1.038 9.783 0.724 1.00 1.88 C ATOM 121 NZ LYS A 8 -1.137 11.269 0.723 1.00 2.42 N ATOM 0 H LYS A 8 -0.256 5.334 -0.426 1.00 0.60 H new ATOM 0 HA LYS A 8 -1.902 4.949 1.995 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -2.796 7.174 1.707 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.049 7.319 1.699 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -1.039 7.469 -0.759 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -2.774 7.222 -0.805 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -2.273 9.607 -1.022 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -3.119 9.315 0.485 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -1.039 9.420 1.752 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -0.089 9.482 0.281 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -0.339 11.670 1.256 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -1.110 11.618 -0.256 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -2.031 11.558 1.169 1.00 2.42 H new ATOM 135 N LEU A 9 -3.992 4.500 0.684 1.00 0.86 N ATOM 136 CA LEU A 9 -5.139 4.007 -0.075 1.00 1.06 C ATOM 137 C LEU A 9 -5.478 5.007 -1.181 1.00 1.74 C ATOM 138 O LEU A 9 -5.871 6.139 -0.902 1.00 2.24 O ATOM 139 CB LEU A 9 -6.320 3.826 0.895 1.00 1.28 C ATOM 140 CG LEU A 9 -7.633 3.259 0.329 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.208 4.154 -0.752 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.461 1.840 -0.183 1.00 1.96 C ATOM 0 H LEU A 9 -4.135 4.517 1.694 1.00 0.86 H new ATOM 0 HA LEU A 9 -4.915 3.048 -0.543 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -5.993 3.171 1.702 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -6.539 4.796 1.341 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.344 3.230 1.154 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.135 3.721 -1.128 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -8.411 5.141 -0.337 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -7.492 4.244 -1.569 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.411 1.477 -0.574 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.713 1.827 -0.976 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.135 1.196 0.633 1.00 1.96 H new ATOM 154 N SER A 10 -5.311 4.593 -2.434 1.00 2.11 N ATOM 155 CA SER A 10 -5.589 5.474 -3.566 1.00 2.83 C ATOM 156 C SER A 10 -6.364 4.751 -4.660 1.00 2.93 C ATOM 157 O SER A 10 -5.851 4.528 -5.756 1.00 3.26 O ATOM 158 CB SER A 10 -4.284 6.030 -4.136 1.00 3.76 C ATOM 159 OG SER A 10 -3.842 7.154 -3.394 1.00 4.49 O ATOM 0 H SER A 10 -4.987 3.661 -2.691 1.00 2.11 H new ATOM 0 HA SER A 10 -6.205 6.296 -3.202 1.00 2.83 H new ATOM 0 HB2 SER A 10 -3.517 5.255 -4.120 1.00 3.76 H new ATOM 0 HB3 SER A 10 -4.430 6.313 -5.178 1.00 3.76 H new ATOM 0 HG SER A 10 -3.005 7.490 -3.777 1.00 4.49 H new ATOM 165 N ASP A 11 -7.603 4.395 -4.354 1.00 3.22 N ATOM 166 CA ASP A 11 -8.459 3.703 -5.308 1.00 3.68 C ATOM 167 C ASP A 11 -9.764 4.465 -5.525 1.00 3.44 C ATOM 168 O ASP A 11 -10.317 4.467 -6.625 1.00 4.01 O ATOM 169 CB ASP A 11 -8.757 2.286 -4.816 1.00 4.18 C ATOM 170 CG ASP A 11 -7.496 1.528 -4.452 1.00 4.90 C ATOM 171 OD1 ASP A 11 -6.839 0.994 -5.369 1.00 5.24 O ATOM 172 OD2 ASP A 11 -7.164 1.471 -3.251 1.00 5.41 O ATOM 0 H ASP A 11 -8.040 4.574 -3.450 1.00 3.22 H new ATOM 0 HA ASP A 11 -7.932 3.649 -6.260 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -9.412 2.336 -3.947 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -9.296 1.740 -5.591 1.00 4.18 H new ATOM 177 N ILE A 12 -10.255 5.104 -4.467 1.00 2.82 N ATOM 178 CA ILE A 12 -11.498 5.862 -4.531 1.00 2.70 C ATOM 179 C ILE A 12 -11.257 7.351 -4.275 1.00 2.96 C ATOM 180 O ILE A 12 -10.116 7.792 -4.145 1.00 3.29 O ATOM 181 CB ILE A 12 -12.537 5.337 -3.512 1.00 2.58 C ATOM 182 CG1 ILE A 12 -11.847 4.737 -2.277 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.449 4.310 -4.166 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.224 3.377 -2.525 1.00 1.97 C ATOM 0 H ILE A 12 -9.807 5.111 -3.551 1.00 2.82 H new ATOM 0 HA ILE A 12 -11.891 5.730 -5.539 1.00 2.70 H new ATOM 0 HB ILE A 12 -13.142 6.181 -3.181 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -11.073 5.424 -1.935 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -12.576 4.651 -1.471 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.174 3.950 -3.436 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -13.974 4.770 -5.003 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -12.853 3.472 -4.528 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -10.756 3.018 -1.608 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -11.997 2.674 -2.837 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.471 3.459 -3.308 1.00 1.97 H new ATOM 196 N GLY A 13 -12.343 8.119 -4.211 1.00 3.15 N ATOM 197 CA GLY A 13 -12.239 9.550 -3.974 1.00 3.67 C ATOM 198 C GLY A 13 -11.857 9.882 -2.542 1.00 3.84 C ATOM 199 O GLY A 13 -11.820 9.003 -1.682 1.00 3.63 O ATOM 0 H GLY A 13 -13.297 7.774 -4.320 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -11.497 9.973 -4.651 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -13.192 10.023 -4.210 1.00 3.67 H new ATOM 203 N GLU A 14 -11.568 11.157 -2.289 1.00 4.49 N ATOM 204 CA GLU A 14 -11.177 11.609 -0.956 1.00 4.81 C ATOM 205 C GLU A 14 -12.392 11.941 -0.087 1.00 4.15 C ATOM 206 O GLU A 14 -12.257 12.578 0.957 1.00 4.04 O ATOM 207 CB GLU A 14 -10.270 12.837 -1.067 1.00 5.76 C ATOM 208 CG GLU A 14 -9.792 13.369 0.274 1.00 6.16 C ATOM 209 CD GLU A 14 -8.560 14.243 0.147 1.00 7.04 C ATOM 210 OE1 GLU A 14 -8.655 15.313 -0.492 1.00 7.20 O ATOM 211 OE2 GLU A 14 -7.501 13.860 0.685 1.00 7.72 O ATOM 0 H GLU A 14 -11.597 11.896 -2.991 1.00 4.49 H new ATOM 0 HA GLU A 14 -10.637 10.792 -0.476 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -9.403 12.583 -1.677 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -10.807 13.628 -1.591 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -10.593 13.942 0.740 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -9.572 12.531 0.936 1.00 6.16 H new ATOM 218 N GLY A 15 -13.576 11.510 -0.514 1.00 3.81 N ATOM 219 CA GLY A 15 -14.778 11.784 0.255 1.00 3.32 C ATOM 220 C GLY A 15 -15.920 10.849 -0.092 1.00 2.93 C ATOM 221 O GLY A 15 -17.086 11.239 -0.043 1.00 3.13 O ATOM 0 H GLY A 15 -13.724 10.980 -1.373 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -14.552 11.697 1.318 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -15.090 12.813 0.079 1.00 3.32 H new ATOM 225 N ILE A 16 -15.585 9.615 -0.450 1.00 2.53 N ATOM 226 CA ILE A 16 -16.590 8.626 -0.814 1.00 2.22 C ATOM 227 C ILE A 16 -16.326 7.289 -0.125 1.00 1.91 C ATOM 228 O ILE A 16 -15.483 7.194 0.767 1.00 1.88 O ATOM 229 CB ILE A 16 -16.619 8.416 -2.339 1.00 2.22 C ATOM 230 CG1 ILE A 16 -15.327 7.745 -2.809 1.00 2.32 C ATOM 231 CG2 ILE A 16 -16.820 9.746 -3.049 1.00 2.54 C ATOM 232 CD1 ILE A 16 -15.548 6.395 -3.455 1.00 2.22 C ATOM 0 H ILE A 16 -14.624 9.276 -0.496 1.00 2.53 H new ATOM 0 HA ILE A 16 -17.556 9.007 -0.483 1.00 2.22 H new ATOM 0 HB ILE A 16 -17.455 7.762 -2.586 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -14.824 8.401 -3.520 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -14.658 7.626 -1.957 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -16.839 9.584 -4.127 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -17.764 10.189 -2.732 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -16.001 10.420 -2.798 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -14.589 5.978 -3.764 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.023 5.723 -2.740 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.191 6.510 -4.327 1.00 2.22 H new ATOM 244 N ARG A 17 -17.050 6.257 -0.551 1.00 1.82 N ATOM 245 CA ARG A 17 -16.891 4.926 0.018 1.00 1.64 C ATOM 246 C ARG A 17 -15.423 4.516 0.028 1.00 1.22 C ATOM 247 O ARG A 17 -14.660 4.878 -0.868 1.00 1.14 O ATOM 248 CB ARG A 17 -17.715 3.909 -0.776 1.00 1.77 C ATOM 249 CG ARG A 17 -18.815 3.249 0.039 1.00 2.27 C ATOM 250 CD ARG A 17 -18.549 1.766 0.231 1.00 2.75 C ATOM 251 NE ARG A 17 -18.224 1.100 -1.027 1.00 3.16 N ATOM 252 CZ ARG A 17 -17.597 -0.069 -1.100 1.00 3.76 C ATOM 253 NH1 ARG A 17 -17.226 -0.694 0.008 1.00 4.04 N ATOM 254 NH2 ARG A 17 -17.341 -0.612 -2.282 1.00 4.40 N ATOM 0 H ARG A 17 -17.752 6.319 -1.288 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.251 4.948 1.047 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -18.161 4.408 -1.636 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.049 3.138 -1.164 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -18.891 3.735 1.011 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -19.773 3.386 -0.462 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -17.727 1.633 0.934 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -19.426 1.295 0.674 1.00 2.75 H new ATOM 0 HE ARG A 17 -18.493 1.558 -1.898 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -17.422 -0.278 0.918 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -16.745 -1.591 -0.049 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -17.625 -0.132 -3.136 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -16.860 -1.510 -2.337 1.00 4.40 H new ATOM 268 N GLU A 18 -15.034 3.764 1.048 1.00 1.16 N ATOM 269 CA GLU A 18 -13.657 3.305 1.184 1.00 0.91 C ATOM 270 C GLU A 18 -13.521 1.863 0.706 1.00 0.63 C ATOM 271 O GLU A 18 -14.518 1.222 0.373 1.00 0.66 O ATOM 272 CB GLU A 18 -13.208 3.442 2.635 1.00 1.29 C ATOM 273 CG GLU A 18 -13.262 4.873 3.143 1.00 1.64 C ATOM 274 CD GLU A 18 -13.582 4.956 4.622 1.00 1.83 C ATOM 275 OE1 GLU A 18 -12.780 4.446 5.432 1.00 2.17 O ATOM 276 OE2 GLU A 18 -14.636 5.528 4.971 1.00 2.11 O ATOM 0 H GLU A 18 -15.655 3.457 1.797 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.014 3.925 0.559 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -13.839 2.815 3.265 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.189 3.067 2.731 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.304 5.358 2.955 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -14.015 5.426 2.581 1.00 1.64 H new ATOM 283 N VAL A 19 -12.291 1.354 0.648 1.00 0.63 N ATOM 284 CA VAL A 19 -12.076 -0.016 0.176 1.00 0.57 C ATOM 285 C VAL A 19 -11.246 -0.852 1.147 1.00 0.41 C ATOM 286 O VAL A 19 -10.346 -0.344 1.817 1.00 0.47 O ATOM 287 CB VAL A 19 -11.402 -0.034 -1.210 1.00 0.93 C ATOM 288 CG1 VAL A 19 -9.955 0.430 -1.119 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.488 -1.425 -1.820 1.00 1.16 C ATOM 0 H VAL A 19 -11.444 1.855 0.915 1.00 0.63 H new ATOM 0 HA VAL A 19 -13.068 -0.463 0.106 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.933 0.662 -1.859 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.503 0.408 -2.111 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -9.923 1.447 -0.728 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.402 -0.232 -0.453 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -11.008 -1.423 -2.799 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.983 -2.139 -1.170 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.534 -1.710 -1.929 1.00 1.16 H new ATOM 299 N THR A 20 -11.552 -2.148 1.201 1.00 0.37 N ATOM 300 CA THR A 20 -10.842 -3.076 2.075 1.00 0.30 C ATOM 301 C THR A 20 -9.778 -3.835 1.302 1.00 0.33 C ATOM 302 O THR A 20 -9.872 -3.989 0.084 1.00 0.65 O ATOM 303 CB THR A 20 -11.797 -4.113 2.703 1.00 0.43 C ATOM 304 OG1 THR A 20 -13.114 -3.568 2.819 1.00 0.69 O ATOM 305 CG2 THR A 20 -11.303 -4.564 4.072 1.00 0.54 C ATOM 0 H THR A 20 -12.291 -2.579 0.646 1.00 0.37 H new ATOM 0 HA THR A 20 -10.388 -2.474 2.862 1.00 0.30 H new ATOM 0 HB THR A 20 -11.822 -4.982 2.046 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.711 -4.236 3.217 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.998 -5.294 4.487 1.00 0.54 H new ATOM 0 HG22 THR A 20 -10.317 -5.018 3.972 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.240 -3.703 4.738 1.00 0.54 H new ATOM 313 N VAL A 21 -8.776 -4.324 2.016 1.00 0.28 N ATOM 314 CA VAL A 21 -7.706 -5.086 1.389 1.00 0.25 C ATOM 315 C VAL A 21 -8.156 -6.521 1.135 1.00 0.29 C ATOM 316 O VAL A 21 -8.804 -7.135 1.977 1.00 0.33 O ATOM 317 CB VAL A 21 -6.430 -5.096 2.251 1.00 0.29 C ATOM 318 CG1 VAL A 21 -5.273 -5.717 1.483 1.00 1.39 C ATOM 319 CG2 VAL A 21 -6.082 -3.686 2.701 1.00 1.21 C ATOM 0 H VAL A 21 -8.681 -4.208 3.025 1.00 0.28 H new ATOM 0 HA VAL A 21 -7.474 -4.599 0.442 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.616 -5.702 3.138 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -4.380 -5.716 2.107 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -5.525 -6.742 1.212 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -5.084 -5.139 0.579 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -5.178 -3.711 3.309 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.914 -3.056 1.827 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.904 -3.279 3.290 1.00 1.21 H new ATOM 329 N LYS A 22 -7.825 -7.045 -0.036 1.00 0.36 N ATOM 330 CA LYS A 22 -8.210 -8.403 -0.399 1.00 0.46 C ATOM 331 C LYS A 22 -7.033 -9.367 -0.270 1.00 0.52 C ATOM 332 O LYS A 22 -7.218 -10.542 0.049 1.00 0.66 O ATOM 333 CB LYS A 22 -8.758 -8.436 -1.827 1.00 0.52 C ATOM 334 CG LYS A 22 -10.192 -8.932 -1.915 1.00 0.78 C ATOM 335 CD LYS A 22 -10.256 -10.355 -2.443 1.00 1.48 C ATOM 336 CE LYS A 22 -11.588 -11.009 -2.117 1.00 2.16 C ATOM 337 NZ LYS A 22 -11.705 -12.362 -2.725 1.00 2.95 N ATOM 0 H LYS A 22 -7.291 -6.552 -0.751 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.990 -8.724 0.292 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.702 -7.434 -2.252 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -8.122 -9.077 -2.437 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -10.655 -8.887 -0.929 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -10.767 -8.274 -2.567 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -10.106 -10.351 -3.523 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -9.446 -10.942 -2.011 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -11.700 -11.086 -1.035 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -12.400 -10.378 -2.477 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -12.628 -12.774 -2.479 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -11.624 -12.286 -3.759 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -10.945 -12.973 -2.362 1.00 2.95 H new ATOM 351 N GLU A 23 -5.825 -8.872 -0.525 1.00 0.46 N ATOM 352 CA GLU A 23 -4.634 -9.709 -0.438 1.00 0.56 C ATOM 353 C GLU A 23 -3.458 -8.956 0.180 1.00 0.42 C ATOM 354 O GLU A 23 -3.073 -7.885 -0.289 1.00 0.42 O ATOM 355 CB GLU A 23 -4.251 -10.224 -1.827 1.00 0.73 C ATOM 356 CG GLU A 23 -4.778 -11.618 -2.123 1.00 1.09 C ATOM 357 CD GLU A 23 -3.673 -12.599 -2.460 1.00 1.33 C ATOM 358 OE1 GLU A 23 -3.091 -12.484 -3.560 1.00 2.13 O ATOM 359 OE2 GLU A 23 -3.388 -13.483 -1.625 1.00 1.63 O ATOM 0 H GLU A 23 -5.646 -7.904 -0.791 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.869 -10.552 0.212 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -4.631 -9.533 -2.580 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -3.165 -10.228 -1.918 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -5.333 -11.984 -1.259 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -5.481 -11.568 -2.955 1.00 1.09 H new ATOM 366 N TRP A 24 -2.882 -9.539 1.229 1.00 0.35 N ATOM 367 CA TRP A 24 -1.736 -8.949 1.914 1.00 0.26 C ATOM 368 C TRP A 24 -0.539 -9.891 1.821 1.00 0.24 C ATOM 369 O TRP A 24 -0.579 -11.007 2.339 1.00 0.33 O ATOM 370 CB TRP A 24 -2.081 -8.672 3.380 1.00 0.37 C ATOM 371 CG TRP A 24 -2.625 -7.296 3.614 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.898 -6.970 3.983 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.912 -6.061 3.492 1.00 0.36 C ATOM 374 NE1 TRP A 24 -4.019 -5.606 4.100 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.814 -5.026 3.803 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.599 -5.729 3.150 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -2.443 -3.684 3.783 1.00 0.52 C ATOM 378 CZ3 TRP A 24 -0.232 -4.397 3.130 1.00 0.83 C ATOM 379 CH2 TRP A 24 -1.151 -3.388 3.444 1.00 0.70 C ATOM 0 H TRP A 24 -3.194 -10.426 1.625 1.00 0.35 H new ATOM 0 HA TRP A 24 -1.482 -8.004 1.434 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.812 -9.406 3.718 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -1.187 -8.809 3.988 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.693 -7.680 4.157 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.868 -5.107 4.365 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.117 -6.500 2.905 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -3.150 -2.905 4.026 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 0.781 -4.129 2.868 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.834 -2.356 3.418 1.00 0.70 H new ATOM 390 N TYR A 25 0.517 -9.453 1.138 1.00 0.20 N ATOM 391 CA TYR A 25 1.702 -10.289 0.965 1.00 0.31 C ATOM 392 C TYR A 25 2.959 -9.643 1.546 1.00 0.27 C ATOM 393 O TYR A 25 4.052 -9.802 1.003 1.00 0.36 O ATOM 394 CB TYR A 25 1.912 -10.594 -0.520 1.00 0.42 C ATOM 395 CG TYR A 25 1.606 -12.027 -0.890 1.00 0.70 C ATOM 396 CD1 TYR A 25 2.357 -13.074 -0.371 1.00 1.07 C ATOM 397 CD2 TYR A 25 0.566 -12.333 -1.759 1.00 1.16 C ATOM 398 CE1 TYR A 25 2.080 -14.386 -0.706 1.00 1.34 C ATOM 399 CE2 TYR A 25 0.283 -13.642 -2.098 1.00 1.44 C ATOM 400 CZ TYR A 25 1.043 -14.664 -1.571 1.00 1.36 C ATOM 401 OH TYR A 25 0.763 -15.969 -1.907 1.00 1.72 O ATOM 0 H TYR A 25 0.576 -8.534 0.700 1.00 0.20 H new ATOM 0 HA TYR A 25 1.529 -11.215 1.514 1.00 0.31 H new ATOM 0 HB2 TYR A 25 1.280 -9.931 -1.112 1.00 0.42 H new ATOM 0 HB3 TYR A 25 2.945 -10.371 -0.786 1.00 0.42 H new ATOM 0 HD1 TYR A 25 3.171 -12.859 0.306 1.00 1.07 H new ATOM 0 HD2 TYR A 25 -0.030 -11.535 -2.176 1.00 1.16 H new ATOM 0 HE1 TYR A 25 2.672 -15.189 -0.293 1.00 1.34 H new ATOM 0 HE2 TYR A 25 -0.530 -13.864 -2.773 1.00 1.44 H new ATOM 0 HH TYR A 25 0.003 -15.992 -2.525 1.00 1.72 H new ATOM 411 N VAL A 26 2.806 -8.926 2.654 1.00 0.22 N ATOM 412 CA VAL A 26 3.942 -8.276 3.299 1.00 0.22 C ATOM 413 C VAL A 26 3.662 -8.024 4.780 1.00 0.22 C ATOM 414 O VAL A 26 2.506 -7.972 5.200 1.00 0.31 O ATOM 415 CB VAL A 26 4.306 -6.946 2.602 1.00 0.28 C ATOM 416 CG1 VAL A 26 4.443 -7.152 1.103 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.275 -5.865 2.904 1.00 0.40 C ATOM 0 H VAL A 26 1.912 -8.780 3.122 1.00 0.22 H new ATOM 0 HA VAL A 26 4.791 -8.954 3.210 1.00 0.22 H new ATOM 0 HB VAL A 26 5.265 -6.611 2.996 1.00 0.28 H new ATOM 0 HG11 VAL A 26 4.700 -6.205 0.628 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.229 -7.882 0.906 1.00 0.50 H new ATOM 0 HG13 VAL A 26 3.499 -7.517 0.698 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.558 -4.941 2.400 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.296 -6.187 2.549 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.232 -5.693 3.980 1.00 0.40 H new ATOM 427 N LYS A 27 4.724 -7.874 5.568 1.00 0.24 N ATOM 428 CA LYS A 27 4.577 -7.636 7.000 1.00 0.26 C ATOM 429 C LYS A 27 5.585 -6.607 7.505 1.00 0.29 C ATOM 430 O LYS A 27 6.531 -6.245 6.805 1.00 0.42 O ATOM 431 CB LYS A 27 4.747 -8.945 7.773 1.00 0.38 C ATOM 432 CG LYS A 27 3.591 -9.254 8.710 1.00 0.61 C ATOM 433 CD LYS A 27 2.334 -9.624 7.941 1.00 0.99 C ATOM 434 CE LYS A 27 1.167 -8.727 8.321 1.00 1.52 C ATOM 435 NZ LYS A 27 0.096 -8.741 7.286 1.00 1.89 N ATOM 0 H LYS A 27 5.689 -7.913 5.241 1.00 0.24 H new ATOM 0 HA LYS A 27 3.575 -7.240 7.167 1.00 0.26 H new ATOM 0 HB2 LYS A 27 4.857 -9.765 7.063 1.00 0.38 H new ATOM 0 HB3 LYS A 27 5.670 -8.898 8.351 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.868 -10.074 9.373 1.00 0.61 H new ATOM 0 HG3 LYS A 27 3.391 -8.388 9.341 1.00 0.61 H new ATOM 0 HD2 LYS A 27 2.523 -9.543 6.871 1.00 0.99 H new ATOM 0 HD3 LYS A 27 2.076 -10.664 8.141 1.00 0.99 H new ATOM 0 HE2 LYS A 27 0.754 -9.053 9.275 1.00 1.52 H new ATOM 0 HE3 LYS A 27 1.524 -7.707 8.460 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 -0.616 -8.018 7.514 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 0.511 -8.537 6.354 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 -0.355 -9.678 7.266 1.00 1.89 H new ATOM 449 N GLU A 28 5.368 -6.146 8.734 1.00 0.30 N ATOM 450 CA GLU A 28 6.252 -5.159 9.360 1.00 0.34 C ATOM 451 C GLU A 28 7.689 -5.671 9.393 1.00 0.38 C ATOM 452 O GLU A 28 7.933 -6.832 9.721 1.00 0.42 O ATOM 453 CB GLU A 28 5.793 -4.844 10.792 1.00 0.42 C ATOM 454 CG GLU A 28 4.289 -4.919 11.000 1.00 0.35 C ATOM 455 CD GLU A 28 3.802 -3.971 12.079 1.00 1.10 C ATOM 456 OE1 GLU A 28 4.455 -3.896 13.142 1.00 1.23 O ATOM 457 OE2 GLU A 28 2.768 -3.305 11.862 1.00 2.03 O ATOM 0 H GLU A 28 4.586 -6.439 9.320 1.00 0.30 H new ATOM 0 HA GLU A 28 6.207 -4.248 8.763 1.00 0.34 H new ATOM 0 HB2 GLU A 28 6.277 -5.540 11.477 1.00 0.42 H new ATOM 0 HB3 GLU A 28 6.135 -3.844 11.059 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.784 -4.687 10.062 1.00 0.35 H new ATOM 0 HG3 GLU A 28 4.013 -5.939 11.266 1.00 0.35 H new ATOM 464 N GLY A 29 8.644 -4.806 9.050 1.00 0.39 N ATOM 465 CA GLY A 29 10.036 -5.219 9.055 1.00 0.45 C ATOM 466 C GLY A 29 10.374 -6.153 7.904 1.00 0.40 C ATOM 467 O GLY A 29 11.492 -6.660 7.819 1.00 0.44 O ATOM 0 H GLY A 29 8.480 -3.838 8.772 1.00 0.39 H new ATOM 0 HA2 GLY A 29 10.673 -4.336 9.000 1.00 0.45 H new ATOM 0 HA3 GLY A 29 10.260 -5.716 9.999 1.00 0.45 H new ATOM 471 N ASP A 30 9.401 -6.397 7.029 1.00 0.34 N ATOM 472 CA ASP A 30 9.596 -7.293 5.895 1.00 0.31 C ATOM 473 C ASP A 30 9.934 -6.515 4.633 1.00 0.25 C ATOM 474 O ASP A 30 9.565 -5.351 4.494 1.00 0.24 O ATOM 475 CB ASP A 30 8.340 -8.133 5.662 1.00 0.31 C ATOM 476 CG ASP A 30 8.660 -9.591 5.399 1.00 0.91 C ATOM 477 OD1 ASP A 30 9.801 -9.883 4.982 1.00 1.36 O ATOM 478 OD2 ASP A 30 7.770 -10.441 5.609 1.00 1.27 O ATOM 0 H ASP A 30 8.469 -5.986 7.085 1.00 0.34 H new ATOM 0 HA ASP A 30 10.433 -7.951 6.129 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.689 -8.058 6.533 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.787 -7.727 4.815 1.00 0.31 H new ATOM 483 N THR A 31 10.633 -7.167 3.712 1.00 0.23 N ATOM 484 CA THR A 31 11.016 -6.531 2.460 1.00 0.18 C ATOM 485 C THR A 31 10.082 -6.934 1.324 1.00 0.18 C ATOM 486 O THR A 31 9.497 -8.017 1.337 1.00 0.30 O ATOM 487 CB THR A 31 12.462 -6.878 2.067 1.00 0.19 C ATOM 488 OG1 THR A 31 13.323 -6.746 3.205 1.00 0.31 O ATOM 489 CG2 THR A 31 12.948 -5.969 0.948 1.00 0.30 C ATOM 0 H THR A 31 10.945 -8.133 3.809 1.00 0.23 H new ATOM 0 HA THR A 31 10.941 -5.456 2.623 1.00 0.18 H new ATOM 0 HB THR A 31 12.484 -7.909 1.713 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.242 -6.970 2.948 1.00 0.31 H new ATOM 0 HG21 THR A 31 13.973 -6.231 0.685 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.307 -6.092 0.075 1.00 0.30 H new ATOM 0 HG23 THR A 31 12.913 -4.932 1.281 1.00 0.30 H new ATOM 497 N VAL A 32 9.949 -6.047 0.345 1.00 0.14 N ATOM 498 CA VAL A 32 9.090 -6.284 -0.807 1.00 0.14 C ATOM 499 C VAL A 32 9.915 -6.479 -2.075 1.00 0.14 C ATOM 500 O VAL A 32 11.075 -6.077 -2.139 1.00 0.18 O ATOM 501 CB VAL A 32 8.086 -5.126 -1.043 1.00 0.20 C ATOM 502 CG1 VAL A 32 6.678 -5.579 -0.711 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.446 -3.878 -0.240 1.00 0.18 C ATOM 0 H VAL A 32 10.431 -5.148 0.328 1.00 0.14 H new ATOM 0 HA VAL A 32 8.529 -7.191 -0.583 1.00 0.14 H new ATOM 0 HB VAL A 32 8.140 -4.857 -2.098 1.00 0.20 H new ATOM 0 HG11 VAL A 32 5.982 -4.757 -0.881 1.00 0.28 H new ATOM 0 HG12 VAL A 32 6.407 -6.421 -1.348 1.00 0.28 H new ATOM 0 HG13 VAL A 32 6.631 -5.884 0.334 1.00 0.28 H new ATOM 0 HG21 VAL A 32 7.715 -3.094 -0.438 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.444 -4.116 0.824 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.437 -3.531 -0.532 1.00 0.18 H new ATOM 513 N SER A 33 9.301 -7.094 -3.081 1.00 0.23 N ATOM 514 CA SER A 33 9.968 -7.340 -4.354 1.00 0.31 C ATOM 515 C SER A 33 9.011 -7.112 -5.521 1.00 0.33 C ATOM 516 O SER A 33 7.792 -7.136 -5.348 1.00 0.35 O ATOM 517 CB SER A 33 10.515 -8.768 -4.397 1.00 0.38 C ATOM 518 OG SER A 33 10.685 -9.287 -3.089 1.00 1.42 O ATOM 0 H SER A 33 8.340 -7.432 -3.038 1.00 0.23 H new ATOM 0 HA SER A 33 10.797 -6.638 -4.446 1.00 0.31 H new ATOM 0 HB2 SER A 33 9.833 -9.406 -4.959 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.469 -8.780 -4.924 1.00 0.38 H new ATOM 0 HG SER A 33 11.034 -10.201 -3.143 1.00 1.42 H new ATOM 524 N GLN A 34 9.566 -6.894 -6.710 1.00 0.37 N ATOM 525 CA GLN A 34 8.754 -6.664 -7.902 1.00 0.41 C ATOM 526 C GLN A 34 7.679 -7.739 -8.040 1.00 0.43 C ATOM 527 O GLN A 34 6.579 -7.474 -8.526 1.00 0.52 O ATOM 528 CB GLN A 34 9.637 -6.649 -9.152 1.00 0.44 C ATOM 529 CG GLN A 34 9.893 -5.255 -9.701 1.00 0.76 C ATOM 530 CD GLN A 34 9.976 -5.229 -11.216 1.00 1.54 C ATOM 531 OE1 GLN A 34 9.101 -4.681 -11.887 1.00 2.38 O ATOM 532 NE2 GLN A 34 11.031 -5.822 -11.763 1.00 1.72 N ATOM 0 H GLN A 34 10.572 -6.872 -6.874 1.00 0.37 H new ATOM 0 HA GLN A 34 8.266 -5.695 -7.798 1.00 0.41 H new ATOM 0 HB2 GLN A 34 10.592 -7.119 -8.917 1.00 0.44 H new ATOM 0 HB3 GLN A 34 9.166 -7.254 -9.926 1.00 0.44 H new ATOM 0 HG2 GLN A 34 9.096 -4.588 -9.373 1.00 0.76 H new ATOM 0 HG3 GLN A 34 10.823 -4.870 -9.283 1.00 0.76 H new ATOM 0 HE21 GLN A 34 11.732 -6.264 -11.169 1.00 1.72 H new ATOM 0 HE22 GLN A 34 11.140 -5.835 -12.777 1.00 1.72 H new ATOM 541 N PHE A 35 8.007 -8.951 -7.605 1.00 0.43 N ATOM 542 CA PHE A 35 7.074 -10.070 -7.675 1.00 0.48 C ATOM 543 C PHE A 35 6.228 -10.154 -6.409 1.00 0.43 C ATOM 544 O PHE A 35 5.122 -10.695 -6.425 1.00 0.47 O ATOM 545 CB PHE A 35 7.836 -11.384 -7.876 1.00 0.58 C ATOM 546 CG PHE A 35 7.075 -12.437 -8.642 1.00 0.99 C ATOM 547 CD1 PHE A 35 5.711 -12.314 -8.874 1.00 1.86 C ATOM 548 CD2 PHE A 35 7.731 -13.557 -9.128 1.00 1.12 C ATOM 549 CE1 PHE A 35 5.022 -13.286 -9.575 1.00 2.52 C ATOM 550 CE2 PHE A 35 7.046 -14.531 -9.829 1.00 1.64 C ATOM 551 CZ PHE A 35 5.690 -14.396 -10.053 1.00 2.31 C ATOM 0 H PHE A 35 8.914 -9.184 -7.200 1.00 0.43 H new ATOM 0 HA PHE A 35 6.412 -9.904 -8.525 1.00 0.48 H new ATOM 0 HB2 PHE A 35 8.767 -11.173 -8.401 1.00 0.58 H new ATOM 0 HB3 PHE A 35 8.105 -11.786 -6.899 1.00 0.58 H new ATOM 0 HD1 PHE A 35 5.182 -11.449 -8.502 1.00 1.86 H new ATOM 0 HD2 PHE A 35 8.791 -13.670 -8.957 1.00 1.12 H new ATOM 0 HE1 PHE A 35 3.962 -13.177 -9.749 1.00 2.52 H new ATOM 0 HE2 PHE A 35 7.571 -15.398 -10.202 1.00 1.64 H new ATOM 0 HZ PHE A 35 5.153 -15.157 -10.601 1.00 2.31 H new ATOM 561 N ASP A 36 6.755 -9.619 -5.313 1.00 0.36 N ATOM 562 CA ASP A 36 6.049 -9.639 -4.037 1.00 0.34 C ATOM 563 C ASP A 36 5.291 -8.335 -3.808 1.00 0.25 C ATOM 564 O ASP A 36 5.841 -7.373 -3.272 1.00 0.21 O ATOM 565 CB ASP A 36 7.033 -9.880 -2.891 1.00 0.41 C ATOM 566 CG ASP A 36 6.727 -11.151 -2.122 1.00 0.76 C ATOM 567 OD1 ASP A 36 5.544 -11.550 -2.081 1.00 0.84 O ATOM 568 OD2 ASP A 36 7.670 -11.747 -1.562 1.00 1.69 O ATOM 0 H ASP A 36 7.668 -9.166 -5.283 1.00 0.36 H new ATOM 0 HA ASP A 36 5.326 -10.454 -4.065 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.045 -9.936 -3.291 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.006 -9.031 -2.208 1.00 0.41 H new ATOM 573 N SER A 37 4.025 -8.312 -4.213 1.00 0.26 N ATOM 574 CA SER A 37 3.190 -7.126 -4.047 1.00 0.21 C ATOM 575 C SER A 37 3.004 -6.800 -2.569 1.00 0.23 C ATOM 576 O SER A 37 3.179 -7.663 -1.708 1.00 0.28 O ATOM 577 CB SER A 37 1.827 -7.338 -4.708 1.00 0.25 C ATOM 578 OG SER A 37 1.043 -8.264 -3.975 1.00 0.94 O ATOM 0 H SER A 37 3.555 -9.100 -4.658 1.00 0.26 H new ATOM 0 HA SER A 37 3.692 -6.287 -4.529 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.301 -6.386 -4.777 1.00 0.25 H new ATOM 0 HB3 SER A 37 1.966 -7.700 -5.727 1.00 0.25 H new ATOM 0 HG SER A 37 0.176 -8.381 -4.417 1.00 0.94 H new ATOM 584 N ILE A 38 2.645 -5.553 -2.279 1.00 0.22 N ATOM 585 CA ILE A 38 2.434 -5.126 -0.900 1.00 0.27 C ATOM 586 C ILE A 38 1.013 -5.430 -0.452 1.00 0.27 C ATOM 587 O ILE A 38 0.791 -6.251 0.441 1.00 0.27 O ATOM 588 CB ILE A 38 2.721 -3.621 -0.723 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.112 -3.298 -1.299 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.609 -3.236 0.754 1.00 0.34 C ATOM 591 CD1 ILE A 38 4.800 -2.091 -0.687 1.00 0.47 C ATOM 0 H ILE A 38 2.495 -4.824 -2.976 1.00 0.22 H new ATOM 0 HA ILE A 38 3.133 -5.686 -0.279 1.00 0.27 H new ATOM 0 HB ILE A 38 1.984 -3.032 -1.268 1.00 0.32 H new ATOM 0 HG12 ILE A 38 4.754 -4.169 -1.166 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.014 -3.135 -2.372 1.00 0.36 H new ATOM 0 HG21 ILE A 38 2.813 -2.172 0.869 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.602 -3.453 1.111 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.332 -3.809 1.335 1.00 0.34 H new ATOM 0 HD11 ILE A 38 5.772 -1.948 -1.160 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.186 -1.204 -0.843 1.00 0.47 H new ATOM 0 HD13 ILE A 38 4.937 -2.254 0.382 1.00 0.47 H new ATOM 603 N CYS A 39 0.053 -4.772 -1.085 1.00 0.32 N ATOM 604 CA CYS A 39 -1.350 -4.974 -0.763 1.00 0.34 C ATOM 605 C CYS A 39 -2.190 -5.005 -2.031 1.00 0.40 C ATOM 606 O CYS A 39 -1.769 -4.520 -3.079 1.00 0.55 O ATOM 607 CB CYS A 39 -1.845 -3.864 0.166 1.00 0.40 C ATOM 608 SG CYS A 39 -2.004 -2.248 -0.630 1.00 1.29 S ATOM 0 H CYS A 39 0.222 -4.092 -1.826 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.452 -5.933 -0.255 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -2.814 -4.152 0.574 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.158 -3.776 1.007 1.00 0.40 H new ATOM 0 HG CYS A 39 -1.562 -1.324 0.171 1.00 1.29 H new ATOM 614 N GLU A 40 -3.382 -5.570 -1.927 1.00 0.36 N ATOM 615 CA GLU A 40 -4.285 -5.651 -3.064 1.00 0.44 C ATOM 616 C GLU A 40 -5.715 -5.394 -2.614 1.00 0.48 C ATOM 617 O GLU A 40 -6.216 -6.068 -1.719 1.00 0.50 O ATOM 618 CB GLU A 40 -4.183 -7.022 -3.735 1.00 0.57 C ATOM 619 CG GLU A 40 -4.575 -7.014 -5.204 1.00 1.15 C ATOM 620 CD GLU A 40 -5.014 -8.379 -5.696 1.00 1.65 C ATOM 621 OE1 GLU A 40 -4.481 -9.391 -5.194 1.00 2.37 O ATOM 622 OE2 GLU A 40 -5.892 -8.436 -6.583 1.00 1.74 O ATOM 0 H GLU A 40 -3.747 -5.979 -1.067 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.999 -4.889 -3.789 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -3.160 -7.386 -3.643 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -4.821 -7.726 -3.202 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -5.384 -6.299 -5.357 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -3.729 -6.671 -5.800 1.00 1.15 H new ATOM 629 N VAL A 41 -6.366 -4.421 -3.235 1.00 0.55 N ATOM 630 CA VAL A 41 -7.739 -4.087 -2.886 1.00 0.64 C ATOM 631 C VAL A 41 -8.661 -4.253 -4.085 1.00 0.92 C ATOM 632 O VAL A 41 -8.255 -4.037 -5.227 1.00 1.08 O ATOM 633 CB VAL A 41 -7.851 -2.647 -2.352 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.990 -2.471 -1.111 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.464 -1.644 -3.427 1.00 1.32 C ATOM 0 H VAL A 41 -5.967 -3.851 -3.981 1.00 0.55 H new ATOM 0 HA VAL A 41 -8.045 -4.776 -2.099 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.889 -2.462 -2.076 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -7.081 -1.448 -0.747 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -7.322 -3.162 -0.337 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.949 -2.677 -1.359 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.550 -0.633 -3.029 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.436 -1.825 -3.740 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -8.129 -1.754 -4.284 1.00 1.32 H new ATOM 645 N GLN A 42 -9.902 -4.645 -3.822 1.00 1.03 N ATOM 646 CA GLN A 42 -10.875 -4.846 -4.891 1.00 1.34 C ATOM 647 C GLN A 42 -12.222 -4.228 -4.535 1.00 1.39 C ATOM 648 O GLN A 42 -12.815 -4.552 -3.507 1.00 1.38 O ATOM 649 CB GLN A 42 -11.043 -6.338 -5.181 1.00 1.58 C ATOM 650 CG GLN A 42 -9.837 -6.961 -5.868 1.00 1.80 C ATOM 651 CD GLN A 42 -10.028 -8.437 -6.156 1.00 2.17 C ATOM 652 OE1 GLN A 42 -11.030 -9.033 -5.761 1.00 2.33 O ATOM 653 NE2 GLN A 42 -9.064 -9.034 -6.847 1.00 2.60 N ATOM 0 H GLN A 42 -10.258 -4.829 -2.884 1.00 1.03 H new ATOM 0 HA GLN A 42 -10.499 -4.348 -5.785 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -11.230 -6.864 -4.244 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.923 -6.482 -5.808 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -9.644 -6.434 -6.803 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.957 -6.828 -5.239 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -8.251 -8.500 -7.154 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -9.137 -10.027 -7.071 1.00 2.60 H new ATOM 662 N SER A 43 -12.698 -3.336 -5.398 1.00 1.55 N ATOM 663 CA SER A 43 -13.976 -2.669 -5.184 1.00 1.64 C ATOM 664 C SER A 43 -15.034 -3.201 -6.147 1.00 2.05 C ATOM 665 O SER A 43 -14.711 -3.692 -7.229 1.00 2.29 O ATOM 666 CB SER A 43 -13.820 -1.157 -5.358 1.00 1.43 C ATOM 667 OG SER A 43 -15.039 -0.485 -5.094 1.00 1.73 O ATOM 0 H SER A 43 -12.216 -3.059 -6.253 1.00 1.55 H new ATOM 0 HA SER A 43 -14.303 -2.877 -4.165 1.00 1.64 H new ATOM 0 HB2 SER A 43 -13.045 -0.788 -4.686 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.492 -0.937 -6.374 1.00 1.43 H new ATOM 0 HG SER A 43 -14.913 0.480 -5.210 1.00 1.73 H new ATOM 673 N ASP A 44 -16.297 -3.104 -5.744 1.00 2.23 N ATOM 674 CA ASP A 44 -17.406 -3.578 -6.566 1.00 2.66 C ATOM 675 C ASP A 44 -17.439 -2.875 -7.923 1.00 2.80 C ATOM 676 O ASP A 44 -18.083 -3.350 -8.859 1.00 3.14 O ATOM 677 CB ASP A 44 -18.733 -3.361 -5.838 1.00 2.85 C ATOM 678 CG ASP A 44 -18.860 -4.228 -4.600 1.00 3.67 C ATOM 679 OD1 ASP A 44 -17.863 -4.882 -4.230 1.00 4.39 O ATOM 680 OD2 ASP A 44 -19.957 -4.253 -4.003 1.00 3.89 O ATOM 0 H ASP A 44 -16.579 -2.700 -4.851 1.00 2.23 H new ATOM 0 HA ASP A 44 -17.257 -4.644 -6.740 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -18.822 -2.312 -5.555 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -19.557 -3.579 -6.517 1.00 2.85 H new ATOM 685 N LYS A 45 -16.749 -1.742 -8.026 1.00 2.69 N ATOM 686 CA LYS A 45 -16.713 -0.986 -9.274 1.00 2.92 C ATOM 687 C LYS A 45 -15.441 -1.285 -10.064 1.00 3.03 C ATOM 688 O LYS A 45 -15.490 -1.506 -11.273 1.00 3.65 O ATOM 689 CB LYS A 45 -16.816 0.517 -8.998 1.00 2.89 C ATOM 690 CG LYS A 45 -16.113 0.960 -7.725 1.00 2.98 C ATOM 691 CD LYS A 45 -15.899 2.464 -7.699 1.00 3.17 C ATOM 692 CE LYS A 45 -14.424 2.810 -7.580 1.00 3.22 C ATOM 693 NZ LYS A 45 -14.199 4.281 -7.539 1.00 3.62 N ATOM 0 H LYS A 45 -16.210 -1.329 -7.265 1.00 2.69 H new ATOM 0 HA LYS A 45 -17.570 -1.295 -9.873 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -16.394 1.061 -9.843 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -17.868 0.793 -8.935 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -16.704 0.661 -6.859 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -15.151 0.454 -7.645 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -16.306 2.907 -8.608 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -16.445 2.897 -6.861 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -14.016 2.355 -6.677 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -13.882 2.384 -8.424 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -13.251 4.477 -7.159 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -14.274 4.671 -8.500 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -14.915 4.725 -6.929 1.00 3.62 H new ATOM 707 N ALA A 46 -14.303 -1.289 -9.376 1.00 2.58 N ATOM 708 CA ALA A 46 -13.023 -1.558 -10.023 1.00 2.82 C ATOM 709 C ALA A 46 -12.048 -2.240 -9.068 1.00 2.68 C ATOM 710 O ALA A 46 -12.183 -2.141 -7.849 1.00 2.63 O ATOM 711 CB ALA A 46 -12.422 -0.265 -10.555 1.00 2.83 C ATOM 0 H ALA A 46 -14.241 -1.110 -8.374 1.00 2.58 H new ATOM 0 HA ALA A 46 -13.204 -2.237 -10.856 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -11.467 -0.478 -11.036 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -13.102 0.181 -11.281 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -12.266 0.430 -9.730 1.00 2.83 H new ATOM 717 N SER A 47 -11.060 -2.926 -9.635 1.00 2.96 N ATOM 718 CA SER A 47 -10.051 -3.621 -8.842 1.00 2.92 C ATOM 719 C SER A 47 -8.678 -2.995 -9.060 1.00 2.26 C ATOM 720 O SER A 47 -8.330 -2.623 -10.181 1.00 2.31 O ATOM 721 CB SER A 47 -10.012 -5.105 -9.211 1.00 3.72 C ATOM 722 OG SER A 47 -11.213 -5.757 -8.837 1.00 4.52 O ATOM 0 H SER A 47 -10.936 -3.016 -10.644 1.00 2.96 H new ATOM 0 HA SER A 47 -10.317 -3.526 -7.789 1.00 2.92 H new ATOM 0 HB2 SER A 47 -9.856 -5.212 -10.285 1.00 3.72 H new ATOM 0 HB3 SER A 47 -9.166 -5.583 -8.717 1.00 3.72 H new ATOM 0 HG SER A 47 -11.162 -6.704 -9.086 1.00 4.52 H new ATOM 728 N VAL A 48 -7.902 -2.876 -7.989 1.00 2.12 N ATOM 729 CA VAL A 48 -6.571 -2.285 -8.083 1.00 1.80 C ATOM 730 C VAL A 48 -5.554 -3.056 -7.251 1.00 1.55 C ATOM 731 O VAL A 48 -5.690 -3.174 -6.033 1.00 1.97 O ATOM 732 CB VAL A 48 -6.564 -0.811 -7.629 1.00 2.53 C ATOM 733 CG1 VAL A 48 -5.391 -0.068 -8.251 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.878 -0.125 -7.979 1.00 3.50 C ATOM 0 H VAL A 48 -8.168 -3.178 -7.052 1.00 2.12 H new ATOM 0 HA VAL A 48 -6.292 -2.337 -9.135 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.452 -0.791 -6.545 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.401 0.970 -7.920 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -4.457 -0.538 -7.942 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -5.473 -0.103 -9.337 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -7.846 0.913 -7.648 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -8.029 -0.157 -9.058 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.701 -0.639 -7.482 1.00 3.50 H new ATOM 744 N THR A 49 -4.526 -3.568 -7.920 1.00 1.13 N ATOM 745 CA THR A 49 -3.468 -4.317 -7.254 1.00 0.98 C ATOM 746 C THR A 49 -2.229 -3.443 -7.084 1.00 0.69 C ATOM 747 O THR A 49 -1.804 -2.769 -8.022 1.00 0.71 O ATOM 748 CB THR A 49 -3.094 -5.586 -8.043 1.00 1.22 C ATOM 749 OG1 THR A 49 -2.476 -5.228 -9.285 1.00 1.28 O ATOM 750 CG2 THR A 49 -4.327 -6.439 -8.311 1.00 1.46 C ATOM 0 H THR A 49 -4.404 -3.477 -8.929 1.00 1.13 H new ATOM 0 HA THR A 49 -3.843 -4.617 -6.276 1.00 0.98 H new ATOM 0 HB THR A 49 -2.392 -6.166 -7.444 1.00 1.22 H new ATOM 0 HG1 THR A 49 -2.240 -6.041 -9.779 1.00 1.28 H new ATOM 0 HG21 THR A 49 -4.039 -7.330 -8.869 1.00 1.46 H new ATOM 0 HG22 THR A 49 -4.778 -6.735 -7.364 1.00 1.46 H new ATOM 0 HG23 THR A 49 -5.048 -5.864 -8.892 1.00 1.46 H new ATOM 758 N ILE A 50 -1.661 -3.438 -5.882 1.00 0.66 N ATOM 759 CA ILE A 50 -0.486 -2.619 -5.609 1.00 0.49 C ATOM 760 C ILE A 50 0.802 -3.430 -5.689 1.00 0.37 C ATOM 761 O ILE A 50 1.122 -4.213 -4.791 1.00 0.36 O ATOM 762 CB ILE A 50 -0.573 -1.951 -4.222 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.835 -1.095 -4.129 1.00 0.95 C ATOM 764 CG2 ILE A 50 0.666 -1.106 -3.949 1.00 0.78 C ATOM 765 CD1 ILE A 50 -3.096 -1.893 -3.878 1.00 1.01 C ATOM 0 H ILE A 50 -1.992 -3.987 -5.088 1.00 0.66 H new ATOM 0 HA ILE A 50 -0.466 -1.848 -6.379 1.00 0.49 H new ATOM 0 HB ILE A 50 -0.623 -2.733 -3.465 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.711 -0.367 -3.327 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.950 -0.532 -5.055 1.00 0.95 H new ATOM 0 HG21 ILE A 50 0.582 -0.645 -2.965 1.00 0.78 H new ATOM 0 HG22 ILE A 50 1.552 -1.740 -3.978 1.00 0.78 H new ATOM 0 HG23 ILE A 50 0.751 -0.329 -4.708 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -3.950 -1.217 -3.824 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -3.246 -2.603 -4.692 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -3.002 -2.435 -2.937 1.00 1.01 H new ATOM 777 N THR A 51 1.549 -3.209 -6.764 1.00 0.41 N ATOM 778 CA THR A 51 2.817 -3.886 -6.967 1.00 0.44 C ATOM 779 C THR A 51 3.944 -3.067 -6.358 1.00 0.40 C ATOM 780 O THR A 51 3.705 -2.007 -5.779 1.00 0.50 O ATOM 781 CB THR A 51 3.105 -4.116 -8.462 1.00 0.56 C ATOM 782 OG1 THR A 51 2.675 -2.982 -9.225 1.00 0.79 O ATOM 783 CG2 THR A 51 2.397 -5.366 -8.962 1.00 1.04 C ATOM 0 H THR A 51 1.294 -2.562 -7.510 1.00 0.41 H new ATOM 0 HA THR A 51 2.755 -4.858 -6.478 1.00 0.44 H new ATOM 0 HB THR A 51 4.180 -4.250 -8.586 1.00 0.56 H new ATOM 0 HG1 THR A 51 2.863 -3.136 -10.174 1.00 0.79 H new ATOM 0 HG21 THR A 51 2.615 -5.509 -10.020 1.00 1.04 H new ATOM 0 HG22 THR A 51 2.747 -6.232 -8.400 1.00 1.04 H new ATOM 0 HG23 THR A 51 1.321 -5.255 -8.825 1.00 1.04 H new ATOM 791 N SER A 52 5.168 -3.556 -6.479 1.00 0.49 N ATOM 792 CA SER A 52 6.312 -2.852 -5.924 1.00 0.56 C ATOM 793 C SER A 52 7.108 -2.136 -7.009 1.00 0.56 C ATOM 794 O SER A 52 7.516 -0.991 -6.830 1.00 0.66 O ATOM 795 CB SER A 52 7.223 -3.828 -5.176 1.00 0.63 C ATOM 796 OG SER A 52 7.928 -3.174 -4.136 1.00 1.36 O ATOM 0 H SER A 52 5.394 -4.431 -6.953 1.00 0.49 H new ATOM 0 HA SER A 52 5.933 -2.103 -5.229 1.00 0.56 H new ATOM 0 HB2 SER A 52 6.627 -4.640 -4.760 1.00 0.63 H new ATOM 0 HB3 SER A 52 7.931 -4.276 -5.873 1.00 0.63 H new ATOM 0 HG SER A 52 8.818 -2.916 -4.456 1.00 1.36 H new ATOM 802 N ARG A 53 7.355 -2.835 -8.118 1.00 0.54 N ATOM 803 CA ARG A 53 8.140 -2.284 -9.223 1.00 0.63 C ATOM 804 C ARG A 53 9.625 -2.170 -8.832 1.00 0.58 C ATOM 805 O ARG A 53 10.440 -1.647 -9.591 1.00 0.68 O ATOM 806 CB ARG A 53 7.558 -0.921 -9.673 1.00 0.83 C ATOM 807 CG ARG A 53 8.185 0.316 -9.032 1.00 1.39 C ATOM 808 CD ARG A 53 8.961 1.135 -10.052 1.00 2.19 C ATOM 809 NE ARG A 53 8.107 1.595 -11.144 1.00 2.73 N ATOM 810 CZ ARG A 53 8.570 1.977 -12.331 1.00 3.54 C ATOM 811 NH1 ARG A 53 9.873 1.963 -12.573 1.00 4.04 N ATOM 812 NH2 ARG A 53 7.728 2.374 -13.276 1.00 4.23 N ATOM 0 H ARG A 53 7.022 -3.786 -8.275 1.00 0.54 H new ATOM 0 HA ARG A 53 8.078 -2.966 -10.071 1.00 0.63 H new ATOM 0 HB2 ARG A 53 7.667 -0.841 -10.755 1.00 0.83 H new ATOM 0 HB3 ARG A 53 6.489 -0.915 -9.459 1.00 0.83 H new ATOM 0 HG2 ARG A 53 7.404 0.932 -8.586 1.00 1.39 H new ATOM 0 HG3 ARG A 53 8.851 0.012 -8.225 1.00 1.39 H new ATOM 0 HD2 ARG A 53 9.414 1.995 -9.558 1.00 2.19 H new ATOM 0 HD3 ARG A 53 9.775 0.534 -10.456 1.00 2.19 H new ATOM 0 HE ARG A 53 7.100 1.625 -10.988 1.00 2.73 H new ATOM 0 HH11 ARG A 53 10.523 1.659 -11.848 1.00 4.04 H new ATOM 0 HH12 ARG A 53 10.226 2.256 -13.484 1.00 4.04 H new ATOM 0 HH21 ARG A 53 6.725 2.387 -13.093 1.00 4.23 H new ATOM 0 HH22 ARG A 53 8.084 2.667 -14.186 1.00 4.23 H new ATOM 826 N TYR A 54 9.957 -2.662 -7.635 1.00 0.45 N ATOM 827 CA TYR A 54 11.309 -2.630 -7.111 1.00 0.41 C ATOM 828 C TYR A 54 11.317 -3.321 -5.755 1.00 0.31 C ATOM 829 O TYR A 54 10.256 -3.645 -5.220 1.00 0.28 O ATOM 830 CB TYR A 54 11.804 -1.189 -6.977 1.00 0.50 C ATOM 831 CG TYR A 54 12.638 -0.726 -8.151 1.00 1.15 C ATOM 832 CD1 TYR A 54 13.865 -1.316 -8.431 1.00 1.77 C ATOM 833 CD2 TYR A 54 12.196 0.296 -8.981 1.00 1.89 C ATOM 834 CE1 TYR A 54 14.628 -0.898 -9.504 1.00 2.59 C ATOM 835 CE2 TYR A 54 12.954 0.719 -10.056 1.00 2.72 C ATOM 836 CZ TYR A 54 14.169 0.119 -10.313 1.00 2.95 C ATOM 837 OH TYR A 54 14.926 0.537 -11.383 1.00 3.88 O ATOM 0 H TYR A 54 9.283 -3.095 -7.004 1.00 0.45 H new ATOM 0 HA TYR A 54 11.979 -3.148 -7.797 1.00 0.41 H new ATOM 0 HB2 TYR A 54 10.945 -0.527 -6.868 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.394 -1.099 -6.065 1.00 0.50 H new ATOM 0 HD1 TYR A 54 14.228 -2.114 -7.800 1.00 1.77 H new ATOM 0 HD2 TYR A 54 11.245 0.768 -8.783 1.00 1.89 H new ATOM 0 HE1 TYR A 54 15.580 -1.366 -9.708 1.00 2.59 H new ATOM 0 HE2 TYR A 54 12.597 1.516 -10.692 1.00 2.72 H new ATOM 0 HH TYR A 54 14.459 1.260 -11.851 1.00 3.88 H new ATOM 847 N ASP A 55 12.490 -3.540 -5.187 1.00 0.30 N ATOM 848 CA ASP A 55 12.564 -4.184 -3.885 1.00 0.24 C ATOM 849 C ASP A 55 12.716 -3.136 -2.791 1.00 0.23 C ATOM 850 O ASP A 55 13.666 -2.353 -2.793 1.00 0.28 O ATOM 851 CB ASP A 55 13.720 -5.180 -3.829 1.00 0.28 C ATOM 852 CG ASP A 55 15.073 -4.510 -3.969 1.00 1.01 C ATOM 853 OD1 ASP A 55 15.234 -3.682 -4.891 1.00 1.33 O ATOM 854 OD2 ASP A 55 15.973 -4.814 -3.158 1.00 1.52 O ATOM 0 H ASP A 55 13.389 -3.287 -5.596 1.00 0.30 H new ATOM 0 HA ASP A 55 11.637 -4.735 -3.724 1.00 0.24 H new ATOM 0 HB2 ASP A 55 13.683 -5.722 -2.884 1.00 0.28 H new ATOM 0 HB3 ASP A 55 13.599 -5.916 -4.623 1.00 0.28 H new ATOM 859 N GLY A 56 11.759 -3.113 -1.869 1.00 0.18 N ATOM 860 CA GLY A 56 11.792 -2.139 -0.797 1.00 0.18 C ATOM 861 C GLY A 56 11.659 -2.755 0.578 1.00 0.15 C ATOM 862 O GLY A 56 11.266 -3.909 0.715 1.00 0.15 O ATOM 0 H GLY A 56 10.963 -3.751 -1.846 1.00 0.18 H new ATOM 0 HA2 GLY A 56 12.728 -1.584 -0.849 1.00 0.18 H new ATOM 0 HA3 GLY A 56 10.986 -1.420 -0.944 1.00 0.18 H new ATOM 866 N VAL A 57 11.992 -1.978 1.602 1.00 0.18 N ATOM 867 CA VAL A 57 11.915 -2.453 2.980 1.00 0.21 C ATOM 868 C VAL A 57 10.658 -1.943 3.682 1.00 0.22 C ATOM 869 O VAL A 57 10.435 -0.738 3.780 1.00 0.26 O ATOM 870 CB VAL A 57 13.154 -2.021 3.790 1.00 0.30 C ATOM 871 CG1 VAL A 57 13.064 -2.531 5.221 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.430 -2.512 3.121 1.00 1.11 C ATOM 0 H VAL A 57 12.318 -1.016 1.505 1.00 0.18 H new ATOM 0 HA VAL A 57 11.876 -3.541 2.933 1.00 0.21 H new ATOM 0 HB VAL A 57 13.182 -0.932 3.818 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.948 -2.216 5.776 1.00 1.06 H new ATOM 0 HG12 VAL A 57 12.172 -2.124 5.697 1.00 1.06 H new ATOM 0 HG13 VAL A 57 13.008 -3.620 5.216 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.293 -2.197 3.708 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.412 -3.600 3.057 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.500 -2.091 2.118 1.00 1.11 H new ATOM 882 N ILE A 58 9.846 -2.875 4.176 1.00 0.21 N ATOM 883 CA ILE A 58 8.610 -2.537 4.880 1.00 0.24 C ATOM 884 C ILE A 58 8.817 -2.619 6.387 1.00 0.33 C ATOM 885 O ILE A 58 9.296 -3.634 6.906 1.00 0.38 O ATOM 886 CB ILE A 58 7.454 -3.465 4.462 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.525 -3.730 2.957 1.00 0.20 C ATOM 888 CG2 ILE A 58 6.113 -2.849 4.842 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.363 -4.530 2.420 1.00 0.17 C ATOM 0 H ILE A 58 10.023 -3.877 4.101 1.00 0.21 H new ATOM 0 HA ILE A 58 8.344 -1.515 4.608 1.00 0.24 H new ATOM 0 HB ILE A 58 7.549 -4.414 4.989 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.570 -2.776 2.432 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.451 -4.260 2.735 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.307 -3.517 4.540 1.00 0.23 H new ATOM 0 HG22 ILE A 58 6.074 -2.699 5.921 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.997 -1.890 4.338 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.487 -4.676 1.347 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.329 -5.500 2.916 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.433 -3.993 2.609 1.00 0.17 H new ATOM 901 N LYS A 59 8.483 -1.532 7.079 1.00 0.40 N ATOM 902 CA LYS A 59 8.674 -1.457 8.523 1.00 0.53 C ATOM 903 C LYS A 59 7.405 -1.744 9.318 1.00 0.52 C ATOM 904 O LYS A 59 7.486 -2.284 10.420 1.00 0.61 O ATOM 905 CB LYS A 59 9.202 -0.074 8.905 1.00 0.65 C ATOM 906 CG LYS A 59 9.476 0.083 10.391 1.00 0.83 C ATOM 907 CD LYS A 59 9.290 1.523 10.840 1.00 1.03 C ATOM 908 CE LYS A 59 10.504 2.031 11.600 1.00 1.51 C ATOM 909 NZ LYS A 59 11.363 2.902 10.752 1.00 2.14 N ATOM 0 H LYS A 59 8.079 -0.693 6.663 1.00 0.40 H new ATOM 0 HA LYS A 59 9.395 -2.233 8.778 1.00 0.53 H new ATOM 0 HB2 LYS A 59 10.121 0.120 8.352 1.00 0.65 H new ATOM 0 HB3 LYS A 59 8.478 0.680 8.596 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.807 -0.565 10.956 1.00 0.83 H new ATOM 0 HG3 LYS A 59 10.494 -0.240 10.611 1.00 0.83 H new ATOM 0 HD2 LYS A 59 9.113 2.156 9.971 1.00 1.03 H new ATOM 0 HD3 LYS A 59 8.406 1.596 11.473 1.00 1.03 H new ATOM 0 HE2 LYS A 59 10.176 2.588 12.478 1.00 1.51 H new ATOM 0 HE3 LYS A 59 11.088 1.184 11.960 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 12.180 3.228 11.306 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 11.697 2.363 9.927 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 10.813 3.724 10.429 1.00 2.14 H new ATOM 923 N LYS A 60 6.240 -1.372 8.798 1.00 0.44 N ATOM 924 CA LYS A 60 5.007 -1.607 9.546 1.00 0.45 C ATOM 925 C LYS A 60 3.754 -1.560 8.677 1.00 0.37 C ATOM 926 O LYS A 60 3.659 -0.784 7.726 1.00 0.53 O ATOM 927 CB LYS A 60 4.876 -0.590 10.687 1.00 0.55 C ATOM 928 CG LYS A 60 5.553 0.746 10.412 1.00 0.76 C ATOM 929 CD LYS A 60 4.728 1.608 9.472 1.00 0.51 C ATOM 930 CE LYS A 60 4.389 2.949 10.103 1.00 0.71 C ATOM 931 NZ LYS A 60 3.071 3.464 9.639 1.00 1.35 N ATOM 0 H LYS A 60 6.122 -0.921 7.891 1.00 0.44 H new ATOM 0 HA LYS A 60 5.081 -2.618 9.946 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.818 -0.415 10.883 1.00 0.55 H new ATOM 0 HB3 LYS A 60 5.302 -1.021 11.593 1.00 0.55 H new ATOM 0 HG2 LYS A 60 5.708 1.276 11.352 1.00 0.76 H new ATOM 0 HG3 LYS A 60 6.538 0.573 9.978 1.00 0.76 H new ATOM 0 HD2 LYS A 60 5.279 1.769 8.546 1.00 0.51 H new ATOM 0 HD3 LYS A 60 3.809 1.085 9.209 1.00 0.51 H new ATOM 0 HE2 LYS A 60 4.377 2.847 11.188 1.00 0.71 H new ATOM 0 HE3 LYS A 60 5.167 3.672 9.859 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 2.687 4.123 10.346 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 3.192 3.960 8.733 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 2.412 2.669 9.514 1.00 1.35 H new ATOM 945 N LEU A 61 2.785 -2.393 9.049 1.00 0.35 N ATOM 946 CA LEU A 61 1.502 -2.471 8.362 1.00 0.37 C ATOM 947 C LEU A 61 0.380 -2.586 9.393 1.00 0.56 C ATOM 948 O LEU A 61 0.447 -3.420 10.296 1.00 0.94 O ATOM 949 CB LEU A 61 1.473 -3.666 7.410 1.00 0.39 C ATOM 950 CG LEU A 61 2.534 -3.644 6.308 1.00 0.33 C ATOM 951 CD1 LEU A 61 3.389 -4.899 6.367 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.878 -3.507 4.944 1.00 0.91 C ATOM 0 H LEU A 61 2.870 -3.034 9.838 1.00 0.35 H new ATOM 0 HA LEU A 61 1.359 -1.565 7.773 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.596 -4.578 7.993 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.489 -3.716 6.944 1.00 0.39 H new ATOM 0 HG LEU A 61 3.181 -2.781 6.467 1.00 0.33 H new ATOM 0 HD11 LEU A 61 4.138 -4.866 5.576 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.886 -4.955 7.335 1.00 1.14 H new ATOM 0 HD13 LEU A 61 2.757 -5.777 6.232 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.646 -3.493 4.171 1.00 0.91 H new ATOM 0 HD22 LEU A 61 1.209 -4.351 4.776 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.308 -2.579 4.906 1.00 0.91 H new ATOM 964 N TYR A 62 -0.636 -1.737 9.277 1.00 0.68 N ATOM 965 CA TYR A 62 -1.742 -1.749 10.231 1.00 0.88 C ATOM 966 C TYR A 62 -3.036 -2.265 9.607 1.00 0.75 C ATOM 967 O TYR A 62 -3.852 -2.892 10.284 1.00 0.87 O ATOM 968 CB TYR A 62 -1.964 -0.343 10.791 1.00 1.16 C ATOM 969 CG TYR A 62 -2.841 -0.314 12.022 1.00 1.24 C ATOM 970 CD1 TYR A 62 -2.465 -0.981 13.181 1.00 1.55 C ATOM 971 CD2 TYR A 62 -4.044 0.380 12.024 1.00 1.81 C ATOM 972 CE1 TYR A 62 -3.265 -0.958 14.308 1.00 2.07 C ATOM 973 CE2 TYR A 62 -4.849 0.408 13.147 1.00 2.35 C ATOM 974 CZ TYR A 62 -4.455 -0.262 14.286 1.00 2.38 C ATOM 975 OH TYR A 62 -5.255 -0.237 15.405 1.00 3.08 O ATOM 0 H TYR A 62 -0.718 -1.037 8.539 1.00 0.68 H new ATOM 0 HA TYR A 62 -1.469 -2.431 11.036 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -0.998 0.100 11.033 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -2.415 0.280 10.019 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -1.533 -1.526 13.202 1.00 1.55 H new ATOM 0 HD2 TYR A 62 -4.355 0.906 11.134 1.00 1.81 H new ATOM 0 HE1 TYR A 62 -2.959 -1.483 15.201 1.00 2.07 H new ATOM 0 HE2 TYR A 62 -5.782 0.952 13.133 1.00 2.35 H new ATOM 0 HH TYR A 62 -6.056 0.298 15.223 1.00 3.08 H new ATOM 985 N TYR A 63 -3.231 -1.989 8.324 1.00 0.64 N ATOM 986 CA TYR A 63 -4.441 -2.418 7.630 1.00 0.62 C ATOM 987 C TYR A 63 -4.291 -3.827 7.062 1.00 0.63 C ATOM 988 O TYR A 63 -3.272 -4.161 6.457 1.00 0.73 O ATOM 989 CB TYR A 63 -4.785 -1.426 6.520 1.00 0.79 C ATOM 990 CG TYR A 63 -5.083 -0.037 7.039 1.00 1.02 C ATOM 991 CD1 TYR A 63 -4.071 0.762 7.555 1.00 1.16 C ATOM 992 CD2 TYR A 63 -6.375 0.473 7.020 1.00 1.28 C ATOM 993 CE1 TYR A 63 -4.336 2.029 8.037 1.00 1.45 C ATOM 994 CE2 TYR A 63 -6.650 1.740 7.501 1.00 1.56 C ATOM 995 CZ TYR A 63 -5.627 2.514 8.008 1.00 1.60 C ATOM 996 OH TYR A 63 -5.899 3.776 8.489 1.00 1.93 O ATOM 0 H TYR A 63 -2.570 -1.472 7.744 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.256 -2.441 8.353 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -3.954 -1.374 5.816 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -5.649 -1.794 5.967 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -3.059 0.386 7.580 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -7.178 -0.130 6.623 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -3.537 2.637 8.434 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -7.660 2.121 7.480 1.00 1.56 H new ATOM 0 HH TYR A 63 -6.856 3.963 8.394 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.316 -4.650 7.272 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.308 -6.028 6.794 1.00 0.67 C ATOM 1008 C ASN A 64 -6.421 -6.282 5.785 1.00 0.49 C ATOM 1009 O ASN A 64 -7.113 -5.363 5.346 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.476 -6.997 7.962 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.360 -6.879 8.981 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.411 -6.041 9.880 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -3.343 -7.722 8.843 1.00 1.03 N ATOM 0 H ASN A 64 -6.164 -4.384 7.772 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.347 -6.191 6.305 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.432 -6.808 8.451 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -5.509 -8.018 7.581 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -2.562 -7.690 9.498 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -3.343 -8.401 8.082 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.573 -7.550 5.428 1.00 0.54 N ATOM 1021 CA LEU A 65 -7.578 -7.988 4.480 1.00 0.54 C ATOM 1022 C LEU A 65 -8.991 -7.588 4.908 1.00 0.66 C ATOM 1023 O LEU A 65 -9.901 -7.519 4.082 1.00 0.77 O ATOM 1024 CB LEU A 65 -7.499 -9.506 4.353 1.00 0.66 C ATOM 1025 CG LEU A 65 -6.232 -10.038 3.684 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -5.290 -10.626 4.724 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -6.582 -11.078 2.632 1.00 1.04 C ATOM 0 H LEU A 65 -5.995 -8.307 5.794 1.00 0.54 H new ATOM 0 HA LEU A 65 -7.377 -7.503 3.524 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -7.575 -9.942 5.349 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -8.363 -9.853 3.786 1.00 0.66 H new ATOM 0 HG LEU A 65 -5.726 -9.208 3.191 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -4.393 -11.001 4.232 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -5.014 -9.854 5.443 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -5.787 -11.445 5.244 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -5.668 -11.446 2.166 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -7.109 -11.908 3.102 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -7.220 -10.627 1.872 1.00 1.04 H new ATOM 1039 N ASP A 66 -9.181 -7.351 6.199 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.499 -6.989 6.716 1.00 0.92 C ATOM 1041 C ASP A 66 -10.635 -5.485 6.936 1.00 0.87 C ATOM 1042 O ASP A 66 -11.744 -4.950 6.930 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.775 -7.730 8.024 1.00 1.12 C ATOM 1044 CG ASP A 66 -12.182 -8.292 8.082 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.489 -9.208 7.291 1.00 2.33 O ATOM 1046 OD2 ASP A 66 -12.978 -7.815 8.919 1.00 2.30 O ATOM 0 H ASP A 66 -8.447 -7.402 6.905 1.00 0.75 H new ATOM 0 HA ASP A 66 -11.233 -7.283 5.966 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -10.057 -8.542 8.137 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -10.623 -7.051 8.863 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.514 -4.809 7.151 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.533 -3.371 7.396 1.00 0.81 C ATOM 1053 C ASP A 67 -9.757 -2.570 6.117 1.00 0.69 C ATOM 1054 O ASP A 67 -9.365 -2.985 5.018 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.233 -2.924 8.062 1.00 0.92 C ATOM 1056 CG ASP A 67 -7.894 -3.757 9.283 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -8.822 -4.098 10.046 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -6.700 -4.069 9.475 1.00 1.85 O ATOM 0 H ASP A 67 -8.585 -5.229 7.161 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.372 -3.174 8.063 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.417 -2.991 7.342 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.318 -1.877 8.352 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.385 -1.408 6.289 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.676 -0.502 5.186 1.00 0.78 C ATOM 1065 C ILE A 68 -9.829 0.754 5.283 1.00 0.99 C ATOM 1066 O ILE A 68 -9.570 1.262 6.374 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.156 -0.073 5.161 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.074 -1.317 5.185 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.407 0.839 3.957 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -14.074 -1.423 4.045 1.00 1.10 C ATOM 0 H ILE A 68 -10.705 -1.071 7.197 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.446 -1.051 4.273 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.396 0.504 6.054 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.447 -2.208 5.177 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -13.623 -1.322 6.127 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.454 1.141 3.941 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -11.775 1.724 4.033 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.171 0.302 3.038 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -14.664 -2.332 4.162 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -14.735 -0.557 4.059 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -13.541 -1.457 3.095 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.417 1.256 4.134 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.617 2.464 4.081 1.00 1.34 C ATOM 1084 C ALA A 69 -9.334 3.541 3.278 1.00 1.19 C ATOM 1085 O ALA A 69 -10.104 3.235 2.360 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.252 2.167 3.482 1.00 2.16 C ATOM 0 H ALA A 69 -9.624 0.845 3.224 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.474 2.833 5.097 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.662 3.083 3.448 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.738 1.427 4.096 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.375 1.778 2.471 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.072 4.798 3.622 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.683 5.926 2.930 1.00 1.38 C ATOM 1094 C TYR A 70 -8.610 6.806 2.295 1.00 1.17 C ATOM 1095 O TYR A 70 -7.542 7.010 2.871 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.538 6.750 3.896 1.00 1.97 C ATOM 1097 CG TYR A 70 -9.735 7.493 4.939 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -9.122 8.703 4.639 1.00 3.17 C ATOM 1099 CD2 TYR A 70 -9.591 6.985 6.224 1.00 3.47 C ATOM 1100 CE1 TYR A 70 -8.387 9.386 5.590 1.00 4.07 C ATOM 1101 CE2 TYR A 70 -8.858 7.663 7.181 1.00 4.42 C ATOM 1102 CZ TYR A 70 -8.259 8.862 6.859 1.00 4.67 C ATOM 1103 OH TYR A 70 -7.529 9.538 7.809 1.00 5.65 O ATOM 0 H TYR A 70 -8.439 5.061 4.378 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.327 5.536 2.142 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -11.126 7.468 3.324 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.243 6.088 4.398 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -9.221 9.117 3.646 1.00 3.17 H new ATOM 0 HD2 TYR A 70 -10.059 6.046 6.480 1.00 3.47 H new ATOM 0 HE1 TYR A 70 -7.916 10.325 5.340 1.00 4.07 H new ATOM 0 HE2 TYR A 70 -8.755 7.255 8.176 1.00 4.42 H new ATOM 0 HH TYR A 70 -7.539 9.034 8.649 1.00 5.65 H new ATOM 1113 N VAL A 71 -8.897 7.313 1.102 1.00 1.69 N ATOM 1114 CA VAL A 71 -7.952 8.160 0.381 1.00 2.02 C ATOM 1115 C VAL A 71 -7.613 9.424 1.164 1.00 2.00 C ATOM 1116 O VAL A 71 -8.495 10.073 1.728 1.00 2.35 O ATOM 1117 CB VAL A 71 -8.502 8.567 -0.999 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -7.399 9.166 -1.859 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -9.142 7.377 -1.697 1.00 3.61 C ATOM 0 H VAL A 71 -9.777 7.153 0.612 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.047 7.567 0.252 1.00 2.02 H new ATOM 0 HB VAL A 71 -9.270 9.326 -0.850 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -7.807 9.447 -2.830 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -6.993 10.049 -1.366 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -6.606 8.431 -1.998 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -9.524 7.688 -2.670 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -8.398 6.592 -1.833 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -9.964 6.997 -1.089 1.00 3.61 H new ATOM 1129 N GLY A 72 -6.329 9.778 1.178 1.00 1.84 N ATOM 1130 CA GLY A 72 -5.900 10.976 1.876 1.00 1.87 C ATOM 1131 C GLY A 72 -5.007 10.700 3.074 1.00 1.57 C ATOM 1132 O GLY A 72 -4.675 11.621 3.820 1.00 1.63 O ATOM 0 H GLY A 72 -5.581 9.257 0.719 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -5.367 11.621 1.178 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -6.780 11.526 2.209 1.00 1.87 H new ATOM 1136 N LYS A 73 -4.610 9.445 3.271 1.00 1.31 N ATOM 1137 CA LYS A 73 -3.751 9.104 4.402 1.00 1.09 C ATOM 1138 C LYS A 73 -2.968 7.810 4.160 1.00 0.83 C ATOM 1139 O LYS A 73 -3.553 6.784 3.812 1.00 0.79 O ATOM 1140 CB LYS A 73 -4.591 8.965 5.674 1.00 1.27 C ATOM 1141 CG LYS A 73 -4.297 10.034 6.714 1.00 1.59 C ATOM 1142 CD LYS A 73 -4.518 9.514 8.126 1.00 1.98 C ATOM 1143 CE LYS A 73 -3.217 9.045 8.758 1.00 2.32 C ATOM 1144 NZ LYS A 73 -2.344 10.188 9.144 1.00 2.96 N ATOM 0 H LYS A 73 -4.864 8.659 2.673 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.030 9.913 4.519 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -5.647 9.008 5.409 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -4.412 7.983 6.113 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -3.267 10.373 6.607 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -4.937 10.899 6.539 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -4.959 10.300 8.739 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -5.231 8.690 8.104 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -3.438 8.443 9.639 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -2.684 8.402 8.058 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -1.589 9.851 9.775 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -1.921 10.605 8.291 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -2.911 10.907 9.636 1.00 2.96 H new ATOM 1158 N PRO A 74 -1.631 7.830 4.360 1.00 0.75 N ATOM 1159 CA PRO A 74 -0.788 6.643 4.180 1.00 0.64 C ATOM 1160 C PRO A 74 -0.983 5.645 5.314 1.00 0.53 C ATOM 1161 O PRO A 74 -1.299 6.032 6.439 1.00 0.75 O ATOM 1162 CB PRO A 74 0.648 7.192 4.201 1.00 0.77 C ATOM 1163 CG PRO A 74 0.523 8.681 4.226 1.00 0.87 C ATOM 1164 CD PRO A 74 -0.835 8.988 4.789 1.00 0.91 C ATOM 0 HA PRO A 74 -1.029 6.110 3.261 1.00 0.64 H new ATOM 0 HB2 PRO A 74 1.190 6.832 5.075 1.00 0.77 H new ATOM 0 HB3 PRO A 74 1.204 6.862 3.323 1.00 0.77 H new ATOM 0 HG2 PRO A 74 1.306 9.125 4.840 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.630 9.096 3.224 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -0.811 9.083 5.875 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.235 9.923 4.395 1.00 0.91 H new ATOM 1172 N LEU A 75 -0.800 4.361 5.022 1.00 0.40 N ATOM 1173 CA LEU A 75 -0.968 3.336 6.042 1.00 0.49 C ATOM 1174 C LEU A 75 0.307 2.528 6.258 1.00 0.46 C ATOM 1175 O LEU A 75 0.445 1.852 7.277 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.132 2.395 5.695 1.00 0.64 C ATOM 1177 CG LEU A 75 -2.153 1.832 4.269 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -2.536 2.911 3.267 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -0.811 1.209 3.909 1.00 1.32 C ATOM 0 H LEU A 75 -0.539 4.010 4.100 1.00 0.40 H new ATOM 0 HA LEU A 75 -1.198 3.855 6.972 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.114 1.558 6.392 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.066 2.931 5.864 1.00 0.64 H new ATOM 0 HG LEU A 75 -2.909 1.048 4.228 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -2.544 2.488 2.262 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -3.527 3.295 3.507 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -1.811 3.724 3.313 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -0.853 0.817 2.893 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -0.029 1.966 3.974 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -0.589 0.397 4.602 1.00 1.32 H new ATOM 1191 N VAL A 76 1.235 2.579 5.305 1.00 0.32 N ATOM 1192 CA VAL A 76 2.472 1.815 5.447 1.00 0.29 C ATOM 1193 C VAL A 76 3.700 2.571 4.950 1.00 0.27 C ATOM 1194 O VAL A 76 3.646 3.286 3.949 1.00 0.35 O ATOM 1195 CB VAL A 76 2.382 0.471 4.700 1.00 0.36 C ATOM 1196 CG1 VAL A 76 2.143 0.702 3.218 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.641 -0.352 4.923 1.00 0.47 C ATOM 0 H VAL A 76 1.159 3.126 4.447 1.00 0.32 H new ATOM 0 HA VAL A 76 2.590 1.643 6.517 1.00 0.29 H new ATOM 0 HB VAL A 76 1.537 -0.090 5.099 1.00 0.36 H new ATOM 0 HG11 VAL A 76 2.082 -0.258 2.705 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.209 1.247 3.081 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.966 1.283 2.803 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.557 -1.297 4.387 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.506 0.199 4.554 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.763 -0.548 5.988 1.00 0.47 H new ATOM 1207 N ASP A 77 4.816 2.376 5.651 1.00 0.30 N ATOM 1208 CA ASP A 77 6.082 3.001 5.286 1.00 0.41 C ATOM 1209 C ASP A 77 7.006 1.960 4.663 1.00 0.38 C ATOM 1210 O ASP A 77 7.221 0.888 5.230 1.00 0.41 O ATOM 1211 CB ASP A 77 6.747 3.632 6.511 1.00 0.58 C ATOM 1212 CG ASP A 77 5.899 4.727 7.127 1.00 0.78 C ATOM 1213 OD1 ASP A 77 4.892 4.397 7.789 1.00 0.87 O ATOM 1214 OD2 ASP A 77 6.242 5.914 6.946 1.00 1.10 O ATOM 0 H ASP A 77 4.866 1.785 6.481 1.00 0.30 H new ATOM 0 HA ASP A 77 5.887 3.791 4.560 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.937 2.860 7.257 1.00 0.58 H new ATOM 0 HB3 ASP A 77 7.715 4.043 6.225 1.00 0.58 H new ATOM 1219 N ILE A 78 7.523 2.268 3.481 1.00 0.44 N ATOM 1220 CA ILE A 78 8.397 1.346 2.762 1.00 0.42 C ATOM 1221 C ILE A 78 9.553 2.083 2.104 1.00 0.41 C ATOM 1222 O ILE A 78 9.407 3.229 1.704 1.00 0.51 O ATOM 1223 CB ILE A 78 7.624 0.589 1.659 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.157 0.395 2.056 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.288 -0.747 1.366 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.270 1.545 1.636 1.00 0.86 C ATOM 0 H ILE A 78 7.353 3.150 2.998 1.00 0.44 H new ATOM 0 HA ILE A 78 8.779 0.640 3.499 1.00 0.42 H new ATOM 0 HB ILE A 78 7.648 1.190 0.750 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.784 -0.526 1.607 1.00 0.53 H new ATOM 0 HG13 ILE A 78 6.093 0.271 3.137 1.00 0.53 H new ATOM 0 HG21 ILE A 78 7.731 -1.267 0.587 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.311 -0.579 1.030 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.299 -1.354 2.271 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.244 1.346 1.947 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.619 2.464 2.106 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.306 1.655 0.552 1.00 0.86 H new ATOM 1238 N GLU A 79 10.696 1.421 1.968 1.00 0.29 N ATOM 1239 CA GLU A 79 11.843 2.052 1.328 1.00 0.29 C ATOM 1240 C GLU A 79 11.940 1.612 -0.125 1.00 0.47 C ATOM 1241 O GLU A 79 12.201 0.448 -0.411 1.00 0.79 O ATOM 1242 CB GLU A 79 13.132 1.685 2.065 1.00 0.62 C ATOM 1243 CG GLU A 79 13.404 2.549 3.283 1.00 0.92 C ATOM 1244 CD GLU A 79 14.866 2.928 3.416 1.00 0.96 C ATOM 1245 OE1 GLU A 79 15.494 3.238 2.382 1.00 1.39 O ATOM 1246 OE2 GLU A 79 15.382 2.914 4.553 1.00 1.09 O ATOM 0 H GLU A 79 10.852 0.465 2.286 1.00 0.29 H new ATOM 0 HA GLU A 79 11.709 3.133 1.366 1.00 0.29 H new ATOM 0 HB2 GLU A 79 13.079 0.641 2.375 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.972 1.770 1.375 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.802 3.456 3.222 1.00 0.92 H new ATOM 0 HG3 GLU A 79 13.088 2.016 4.180 1.00 0.92 H new ATOM 1253 N THR A 80 11.728 2.555 -1.036 1.00 0.64 N ATOM 1254 CA THR A 80 11.788 2.279 -2.467 1.00 1.05 C ATOM 1255 C THR A 80 12.410 3.452 -3.219 1.00 1.00 C ATOM 1256 O THR A 80 12.398 4.583 -2.735 1.00 1.22 O ATOM 1257 CB THR A 80 10.391 1.979 -3.048 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.421 2.865 -2.477 1.00 2.39 O ATOM 1259 CG2 THR A 80 9.991 0.534 -2.775 1.00 1.18 C ATOM 0 H THR A 80 11.511 3.525 -0.806 1.00 0.64 H new ATOM 0 HA THR A 80 12.412 1.395 -2.596 1.00 1.05 H new ATOM 0 HB THR A 80 10.429 2.132 -4.127 1.00 1.51 H new ATOM 0 HG1 THR A 80 9.048 3.438 -3.179 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.002 0.345 -3.194 1.00 1.18 H new ATOM 0 HG22 THR A 80 10.715 -0.137 -3.237 1.00 1.18 H new ATOM 0 HG23 THR A 80 9.969 0.360 -1.699 1.00 1.18 H new ATOM 1267 N GLU A 81 12.951 3.182 -4.402 1.00 1.27 N ATOM 1268 CA GLU A 81 13.571 4.229 -5.206 1.00 1.30 C ATOM 1269 C GLU A 81 12.576 5.352 -5.479 1.00 1.99 C ATOM 1270 O GLU A 81 11.503 5.125 -6.037 1.00 2.56 O ATOM 1271 CB GLU A 81 14.081 3.654 -6.529 1.00 1.53 C ATOM 1272 CG GLU A 81 15.313 4.365 -7.068 1.00 1.62 C ATOM 1273 CD GLU A 81 16.346 3.403 -7.620 1.00 2.40 C ATOM 1274 OE1 GLU A 81 16.775 2.499 -6.873 1.00 3.13 O ATOM 1275 OE2 GLU A 81 16.727 3.553 -8.801 1.00 2.85 O ATOM 0 H GLU A 81 12.973 2.253 -4.823 1.00 1.27 H new ATOM 0 HA GLU A 81 14.415 4.634 -4.648 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.313 2.598 -6.391 1.00 1.53 H new ATOM 0 HB3 GLU A 81 13.285 3.711 -7.271 1.00 1.53 H new ATOM 0 HG2 GLU A 81 15.013 5.060 -7.853 1.00 1.62 H new ATOM 0 HG3 GLU A 81 15.763 4.958 -6.272 1.00 1.62 H new ATOM 1282 N ALA A 82 12.940 6.566 -5.071 1.00 2.01 N ATOM 1283 CA ALA A 82 12.085 7.738 -5.253 1.00 2.67 C ATOM 1284 C ALA A 82 11.399 7.748 -6.617 1.00 3.02 C ATOM 1285 O ALA A 82 12.056 7.819 -7.655 1.00 3.10 O ATOM 1286 CB ALA A 82 12.897 9.011 -5.067 1.00 2.85 C ATOM 0 H ALA A 82 13.827 6.765 -4.609 1.00 2.01 H new ATOM 0 HA ALA A 82 11.302 7.689 -4.496 1.00 2.67 H new ATOM 0 HB1 ALA A 82 12.251 9.878 -5.205 1.00 2.85 H new ATOM 0 HB2 ALA A 82 13.320 9.029 -4.063 1.00 2.85 H new ATOM 0 HB3 ALA A 82 13.703 9.039 -5.800 1.00 2.85 H new ATOM 1292 N LEU A 83 10.070 7.686 -6.601 1.00 3.31 N ATOM 1293 CA LEU A 83 9.284 7.701 -7.828 1.00 3.73 C ATOM 1294 C LEU A 83 8.608 9.058 -8.014 1.00 4.31 C ATOM 1295 O LEU A 83 8.296 9.743 -7.040 1.00 4.31 O ATOM 1296 CB LEU A 83 8.256 6.567 -7.835 1.00 3.56 C ATOM 1297 CG LEU A 83 8.242 5.716 -9.109 1.00 3.51 C ATOM 1298 CD1 LEU A 83 9.647 5.231 -9.439 1.00 3.49 C ATOM 1299 CD2 LEU A 83 7.291 4.534 -8.960 1.00 3.60 C ATOM 0 H LEU A 83 9.515 7.625 -5.748 1.00 3.31 H new ATOM 0 HA LEU A 83 9.959 7.540 -8.668 1.00 3.73 H new ATOM 0 HB2 LEU A 83 8.450 5.916 -6.983 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.264 6.995 -7.690 1.00 3.56 H new ATOM 0 HG LEU A 83 7.887 6.337 -9.931 1.00 3.51 H new ATOM 0 HD11 LEU A 83 9.620 4.628 -10.347 1.00 3.49 H new ATOM 0 HD12 LEU A 83 10.301 6.089 -9.593 1.00 3.49 H new ATOM 0 HD13 LEU A 83 10.027 4.628 -8.614 1.00 3.49 H new ATOM 0 HD21 LEU A 83 7.297 3.944 -9.877 1.00 3.60 H new ATOM 0 HD22 LEU A 83 7.613 3.911 -8.125 1.00 3.60 H new ATOM 0 HD23 LEU A 83 6.282 4.900 -8.771 1.00 3.60 H new