USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 914 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 81 TYR OH : rot 148:sc= 0.103 USER MOD Set 1.2: A 112 GLN : amide:sc= -0.0779 X(o=0.025,f=-0.053) USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= 1.04 USER MOD Set 2.2: A 41 SER OG : rot 72:sc= 1.08 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.469 K(o=-0.47,f=-3.3!) USER MOD Single : A 27 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.16) USER MOD Single : A 28 GLN : amide:sc= -2.55 K(o=-2.6,f=-3.4!) USER MOD Single : A 31 SER OG : rot -66:sc= -0.204 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 44 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.892! USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 0.11 (180deg=0.0601) USER MOD Single : A 52 SER OG : rot -76:sc= 0.717 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.556 X(o=-0.56,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 73:sc= 0.702 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 62:sc= 1.24 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 82:sc= 0.908 USER MOD Single : A 87 CYS SG : rot 79:sc= -0.6! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -136:sc= 0.495 (180deg=-1.44!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0273 USER MOD Single : A 94 SER OG : rot 180:sc= -0.1 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 81:sc= 0.468 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 9.687 6.762 -4.858 1.00 0.67 N ATOM 129 CA PRO A 8 9.513 6.192 -6.210 1.00 0.58 C ATOM 130 C PRO A 8 8.146 6.594 -6.785 1.00 0.52 C ATOM 131 O PRO A 8 7.300 7.127 -6.095 1.00 0.58 O ATOM 132 CB PRO A 8 9.610 4.660 -6.015 1.00 0.62 C ATOM 133 CG PRO A 8 9.810 4.393 -4.496 1.00 0.71 C ATOM 134 CD PRO A 8 9.956 5.761 -3.798 1.00 0.75 C ATOM 0 HA PRO A 8 10.262 6.554 -6.914 1.00 0.58 H new ATOM 0 HB2 PRO A 8 8.705 4.170 -6.374 1.00 0.62 H new ATOM 0 HB3 PRO A 8 10.443 4.253 -6.589 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.961 3.844 -4.089 1.00 0.71 H new ATOM 0 HG3 PRO A 8 10.696 3.781 -4.328 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.251 5.861 -2.973 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.955 5.887 -3.381 1.00 0.75 H new ATOM 142 N THR A 9 7.928 6.326 -8.047 1.00 0.48 N ATOM 143 CA THR A 9 6.620 6.671 -8.683 1.00 0.46 C ATOM 144 C THR A 9 5.679 5.471 -8.549 1.00 0.43 C ATOM 145 O THR A 9 6.106 4.366 -8.280 1.00 0.44 O ATOM 146 CB THR A 9 6.850 6.992 -10.175 1.00 0.47 C ATOM 147 OG1 THR A 9 8.040 6.351 -10.611 1.00 0.72 O ATOM 148 CG2 THR A 9 6.991 8.504 -10.375 1.00 0.73 C ATOM 0 H THR A 9 8.603 5.880 -8.668 1.00 0.48 H new ATOM 0 HA THR A 9 6.179 7.540 -8.194 1.00 0.46 H new ATOM 0 HB THR A 9 5.998 6.634 -10.753 1.00 0.47 H new ATOM 0 HG1 THR A 9 8.190 6.550 -11.559 1.00 0.72 H new ATOM 0 HG21 THR A 9 7.153 8.718 -11.432 1.00 0.73 H new ATOM 0 HG22 THR A 9 6.081 9.002 -10.039 1.00 0.73 H new ATOM 0 HG23 THR A 9 7.839 8.870 -9.797 1.00 0.73 H new ATOM 156 N LEU A 10 4.404 5.673 -8.743 1.00 0.41 N ATOM 157 CA LEU A 10 3.462 4.527 -8.632 1.00 0.40 C ATOM 158 C LEU A 10 3.674 3.607 -9.828 1.00 0.39 C ATOM 159 O LEU A 10 3.467 2.412 -9.742 1.00 0.39 O ATOM 160 CB LEU A 10 2.011 5.032 -8.604 1.00 0.41 C ATOM 161 CG LEU A 10 1.020 3.864 -8.781 1.00 0.37 C ATOM 162 CD1 LEU A 10 1.146 2.886 -7.614 1.00 0.41 C ATOM 163 CD2 LEU A 10 -0.398 4.417 -8.813 1.00 0.41 C ATOM 0 H LEU A 10 3.979 6.572 -8.971 1.00 0.41 H new ATOM 0 HA LEU A 10 3.651 3.982 -7.707 1.00 0.40 H new ATOM 0 HB2 LEU A 10 1.816 5.540 -7.659 1.00 0.41 H new ATOM 0 HB3 LEU A 10 1.861 5.765 -9.397 1.00 0.41 H new ATOM 0 HG LEU A 10 1.244 3.342 -9.712 1.00 0.37 H new ATOM 0 HD11 LEU A 10 0.442 2.065 -7.749 1.00 0.41 H new ATOM 0 HD12 LEU A 10 2.161 2.491 -7.578 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.925 3.403 -6.680 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -1.105 3.597 -8.938 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -0.607 4.937 -7.878 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -0.498 5.113 -9.646 1.00 0.41 H new ATOM 175 N LYS A 11 4.090 4.134 -10.945 1.00 0.42 N ATOM 176 CA LYS A 11 4.313 3.269 -12.131 1.00 0.44 C ATOM 177 C LYS A 11 5.446 2.299 -11.823 1.00 0.43 C ATOM 178 O LYS A 11 5.484 1.193 -12.323 1.00 0.45 O ATOM 179 CB LYS A 11 4.705 4.150 -13.322 1.00 0.49 C ATOM 180 CG LYS A 11 4.924 3.283 -14.565 1.00 0.83 C ATOM 181 CD LYS A 11 5.064 4.182 -15.800 1.00 0.98 C ATOM 182 CE LYS A 11 6.325 5.045 -15.682 1.00 1.64 C ATOM 183 NZ LYS A 11 6.705 5.554 -17.030 1.00 2.31 N ATOM 0 H LYS A 11 4.284 5.125 -11.086 1.00 0.42 H new ATOM 0 HA LYS A 11 3.406 2.713 -12.370 1.00 0.44 H new ATOM 0 HB2 LYS A 11 3.923 4.885 -13.514 1.00 0.49 H new ATOM 0 HB3 LYS A 11 5.614 4.705 -13.091 1.00 0.49 H new ATOM 0 HG2 LYS A 11 5.819 2.674 -14.443 1.00 0.83 H new ATOM 0 HG3 LYS A 11 4.087 2.597 -14.695 1.00 0.83 H new ATOM 0 HD2 LYS A 11 5.115 3.570 -16.701 1.00 0.98 H new ATOM 0 HD3 LYS A 11 4.185 4.819 -15.897 1.00 0.98 H new ATOM 0 HE2 LYS A 11 6.146 5.879 -15.004 1.00 1.64 H new ATOM 0 HE3 LYS A 11 7.141 4.460 -15.259 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 7.561 6.140 -16.951 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 6.892 4.751 -17.664 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 5.928 6.127 -17.417 1.00 2.31 H new ATOM 197 N ASP A 12 6.383 2.710 -11.012 1.00 0.43 N ATOM 198 CA ASP A 12 7.519 1.807 -10.696 1.00 0.45 C ATOM 199 C ASP A 12 6.978 0.539 -10.038 1.00 0.44 C ATOM 200 O ASP A 12 7.607 -0.500 -10.045 1.00 0.46 O ATOM 201 CB ASP A 12 8.477 2.513 -9.735 1.00 0.48 C ATOM 202 CG ASP A 12 9.725 1.651 -9.540 1.00 1.16 C ATOM 203 OD1 ASP A 12 10.422 1.425 -10.515 1.00 1.94 O ATOM 204 OD2 ASP A 12 9.961 1.230 -8.420 1.00 1.88 O ATOM 0 H ASP A 12 6.409 3.624 -10.560 1.00 0.43 H new ATOM 0 HA ASP A 12 8.052 1.548 -11.611 1.00 0.45 H new ATOM 0 HB2 ASP A 12 8.754 3.490 -10.132 1.00 0.48 H new ATOM 0 HB3 ASP A 12 7.987 2.686 -8.777 1.00 0.48 H new ATOM 209 N ALA A 13 5.812 0.635 -9.442 1.00 0.43 N ATOM 210 CA ALA A 13 5.221 -0.543 -8.750 1.00 0.45 C ATOM 211 C ALA A 13 4.848 -1.622 -9.767 1.00 0.49 C ATOM 212 O ALA A 13 4.939 -2.802 -9.492 1.00 0.57 O ATOM 213 CB ALA A 13 3.971 -0.100 -7.988 1.00 0.44 C ATOM 0 H ALA A 13 5.247 1.483 -9.408 1.00 0.43 H new ATOM 0 HA ALA A 13 5.952 -0.956 -8.055 1.00 0.45 H new ATOM 0 HB1 ALA A 13 3.532 -0.958 -7.478 1.00 0.44 H new ATOM 0 HB2 ALA A 13 4.242 0.659 -7.254 1.00 0.44 H new ATOM 0 HB3 ALA A 13 3.246 0.316 -8.688 1.00 0.44 H new ATOM 219 N TYR A 14 4.433 -1.234 -10.941 1.00 0.54 N ATOM 220 CA TYR A 14 4.063 -2.251 -11.964 1.00 0.60 C ATOM 221 C TYR A 14 5.338 -2.882 -12.531 1.00 0.67 C ATOM 222 O TYR A 14 5.351 -3.392 -13.633 1.00 1.15 O ATOM 223 CB TYR A 14 3.270 -1.577 -13.093 1.00 0.61 C ATOM 224 CG TYR A 14 1.840 -1.360 -12.652 1.00 0.58 C ATOM 225 CD1 TYR A 14 0.921 -2.414 -12.723 1.00 1.32 C ATOM 226 CD2 TYR A 14 1.433 -0.109 -12.173 1.00 1.37 C ATOM 227 CE1 TYR A 14 -0.404 -2.217 -12.317 1.00 1.33 C ATOM 228 CE2 TYR A 14 0.108 0.088 -11.767 1.00 1.41 C ATOM 229 CZ TYR A 14 -0.811 -0.966 -11.838 1.00 0.70 C ATOM 230 OH TYR A 14 -2.117 -0.772 -11.438 1.00 0.82 O ATOM 0 H TYR A 14 4.334 -0.262 -11.235 1.00 0.54 H new ATOM 0 HA TYR A 14 3.447 -3.026 -11.507 1.00 0.60 H new ATOM 0 HB2 TYR A 14 3.729 -0.623 -13.354 1.00 0.61 H new ATOM 0 HB3 TYR A 14 3.294 -2.198 -13.989 1.00 0.61 H new ATOM 0 HD1 TYR A 14 1.235 -3.380 -13.091 1.00 1.32 H new ATOM 0 HD2 TYR A 14 2.141 0.704 -12.117 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -1.112 -3.030 -12.373 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -0.206 1.054 -11.399 1.00 1.41 H new ATOM 0 HH TYR A 14 -2.232 0.152 -11.132 1.00 0.82 H new ATOM 240 N GLU A 15 6.410 -2.854 -11.775 1.00 0.57 N ATOM 241 CA GLU A 15 7.701 -3.451 -12.243 1.00 0.60 C ATOM 242 C GLU A 15 7.977 -4.737 -11.428 1.00 0.53 C ATOM 243 O GLU A 15 8.382 -4.639 -10.289 1.00 0.57 O ATOM 244 CB GLU A 15 8.830 -2.436 -11.993 1.00 0.68 C ATOM 245 CG GLU A 15 10.006 -2.731 -12.929 1.00 0.89 C ATOM 246 CD GLU A 15 11.219 -1.898 -12.513 1.00 1.59 C ATOM 247 OE1 GLU A 15 11.737 -2.138 -11.435 1.00 2.12 O ATOM 248 OE2 GLU A 15 11.610 -1.034 -13.281 1.00 2.32 O ATOM 0 H GLU A 15 6.445 -2.439 -10.844 1.00 0.57 H new ATOM 0 HA GLU A 15 7.648 -3.692 -13.305 1.00 0.60 H new ATOM 0 HB2 GLU A 15 8.465 -1.423 -12.160 1.00 0.68 H new ATOM 0 HB3 GLU A 15 9.157 -2.490 -10.955 1.00 0.68 H new ATOM 0 HG2 GLU A 15 10.253 -3.792 -12.895 1.00 0.89 H new ATOM 0 HG3 GLU A 15 9.731 -2.501 -13.958 1.00 0.89 H new ATOM 255 N PRO A 16 7.741 -5.907 -11.996 1.00 0.51 N ATOM 256 CA PRO A 16 7.963 -7.167 -11.259 1.00 0.48 C ATOM 257 C PRO A 16 9.419 -7.298 -10.775 1.00 0.51 C ATOM 258 O PRO A 16 10.220 -6.391 -10.879 1.00 0.76 O ATOM 259 CB PRO A 16 7.597 -8.289 -12.258 1.00 0.53 C ATOM 260 CG PRO A 16 7.056 -7.608 -13.546 1.00 0.64 C ATOM 261 CD PRO A 16 7.247 -6.085 -13.382 1.00 0.60 C ATOM 0 HA PRO A 16 7.356 -7.213 -10.355 1.00 0.48 H new ATOM 0 HB2 PRO A 16 8.470 -8.900 -12.485 1.00 0.53 H new ATOM 0 HB3 PRO A 16 6.846 -8.953 -11.831 1.00 0.53 H new ATOM 0 HG2 PRO A 16 7.591 -7.969 -14.424 1.00 0.64 H new ATOM 0 HG3 PRO A 16 6.003 -7.849 -13.693 1.00 0.64 H new ATOM 0 HD2 PRO A 16 7.961 -5.696 -14.108 1.00 0.60 H new ATOM 0 HD3 PRO A 16 6.310 -5.551 -13.539 1.00 0.60 H new ATOM 269 N LEU A 17 9.728 -8.437 -10.219 1.00 0.63 N ATOM 270 CA LEU A 17 11.087 -8.716 -9.669 1.00 0.74 C ATOM 271 C LEU A 17 11.407 -10.202 -9.852 1.00 0.79 C ATOM 272 O LEU A 17 10.529 -11.029 -9.991 1.00 1.03 O ATOM 273 CB LEU A 17 11.099 -8.393 -8.164 1.00 0.79 C ATOM 274 CG LEU A 17 11.176 -6.871 -7.936 1.00 1.26 C ATOM 275 CD1 LEU A 17 11.138 -6.595 -6.429 1.00 1.12 C ATOM 276 CD2 LEU A 17 12.482 -6.292 -8.529 1.00 2.28 C ATOM 0 H LEU A 17 9.072 -9.212 -10.120 1.00 0.63 H new ATOM 0 HA LEU A 17 11.825 -8.106 -10.190 1.00 0.74 H new ATOM 0 HB2 LEU A 17 10.200 -8.791 -7.694 1.00 0.79 H new ATOM 0 HB3 LEU A 17 11.950 -8.881 -7.689 1.00 0.79 H new ATOM 0 HG LEU A 17 10.331 -6.395 -8.433 1.00 1.26 H new ATOM 0 HD11 LEU A 17 11.192 -5.520 -6.254 1.00 1.12 H new ATOM 0 HD12 LEU A 17 10.210 -6.984 -6.011 1.00 1.12 H new ATOM 0 HD13 LEU A 17 11.985 -7.084 -5.948 1.00 1.12 H new ATOM 0 HD21 LEU A 17 12.514 -5.216 -8.356 1.00 2.28 H new ATOM 0 HD22 LEU A 17 13.340 -6.763 -8.049 1.00 2.28 H new ATOM 0 HD23 LEU A 17 12.513 -6.488 -9.601 1.00 2.28 H new ATOM 288 N TYR A 18 12.672 -10.538 -9.856 1.00 0.78 N ATOM 289 CA TYR A 18 13.085 -11.965 -10.035 1.00 0.88 C ATOM 290 C TYR A 18 13.190 -12.622 -8.640 1.00 0.76 C ATOM 291 O TYR A 18 13.371 -11.923 -7.664 1.00 0.63 O ATOM 292 CB TYR A 18 14.455 -12.005 -10.755 1.00 1.09 C ATOM 293 CG TYR A 18 14.659 -10.720 -11.534 1.00 0.78 C ATOM 294 CD1 TYR A 18 13.708 -10.323 -12.481 1.00 1.41 C ATOM 295 CD2 TYR A 18 15.793 -9.926 -11.307 1.00 1.46 C ATOM 296 CE1 TYR A 18 13.888 -9.136 -13.201 1.00 1.67 C ATOM 297 CE2 TYR A 18 15.972 -8.740 -12.029 1.00 1.64 C ATOM 298 CZ TYR A 18 15.020 -8.344 -12.975 1.00 1.40 C ATOM 299 OH TYR A 18 15.197 -7.175 -13.686 1.00 1.95 O ATOM 0 H TYR A 18 13.443 -9.880 -9.742 1.00 0.78 H new ATOM 0 HA TYR A 18 12.355 -12.507 -10.636 1.00 0.88 H new ATOM 0 HB2 TYR A 18 15.256 -12.132 -10.027 1.00 1.09 H new ATOM 0 HB3 TYR A 18 14.498 -12.861 -11.428 1.00 1.09 H new ATOM 0 HD1 TYR A 18 12.834 -10.933 -12.657 1.00 1.41 H new ATOM 0 HD2 TYR A 18 16.528 -10.229 -10.576 1.00 1.46 H new ATOM 0 HE1 TYR A 18 13.153 -8.831 -13.931 1.00 1.67 H new ATOM 0 HE2 TYR A 18 16.846 -8.130 -11.856 1.00 1.64 H new ATOM 0 HH TYR A 18 16.033 -6.746 -13.407 1.00 1.95 H new ATOM 309 N PRO A 19 13.079 -13.936 -8.566 1.00 0.88 N ATOM 310 CA PRO A 19 13.172 -14.634 -7.268 1.00 0.87 C ATOM 311 C PRO A 19 14.536 -14.369 -6.607 1.00 0.80 C ATOM 312 O PRO A 19 14.676 -14.464 -5.403 1.00 0.77 O ATOM 313 CB PRO A 19 12.999 -16.135 -7.604 1.00 1.11 C ATOM 314 CG PRO A 19 12.854 -16.254 -9.148 1.00 1.24 C ATOM 315 CD PRO A 19 12.852 -14.824 -9.730 1.00 1.09 C ATOM 0 HA PRO A 19 12.417 -14.289 -6.561 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.858 -16.708 -7.254 1.00 1.11 H new ATOM 0 HB3 PRO A 19 12.120 -16.541 -7.104 1.00 1.11 H new ATOM 0 HG2 PRO A 19 13.676 -16.836 -9.566 1.00 1.24 H new ATOM 0 HG3 PRO A 19 11.931 -16.774 -9.407 1.00 1.24 H new ATOM 0 HD2 PRO A 19 13.635 -14.701 -10.479 1.00 1.09 H new ATOM 0 HD3 PRO A 19 11.905 -14.598 -10.220 1.00 1.09 H new ATOM 323 N GLN A 20 15.543 -14.050 -7.375 1.00 0.80 N ATOM 324 CA GLN A 20 16.884 -13.799 -6.770 1.00 0.77 C ATOM 325 C GLN A 20 16.892 -12.447 -6.052 1.00 0.68 C ATOM 326 O GLN A 20 17.273 -12.350 -4.903 1.00 0.67 O ATOM 327 CB GLN A 20 17.948 -13.797 -7.871 1.00 0.85 C ATOM 328 CG GLN A 20 17.999 -15.173 -8.539 1.00 1.41 C ATOM 329 CD GLN A 20 18.976 -15.134 -9.716 1.00 1.86 C ATOM 330 OE1 GLN A 20 20.169 -15.277 -9.536 1.00 2.60 O ATOM 331 NE2 GLN A 20 18.518 -14.944 -10.923 1.00 2.30 N ATOM 0 H GLN A 20 15.497 -13.953 -8.389 1.00 0.80 H new ATOM 0 HA GLN A 20 17.102 -14.587 -6.049 1.00 0.77 H new ATOM 0 HB2 GLN A 20 17.718 -13.031 -8.611 1.00 0.85 H new ATOM 0 HB3 GLN A 20 18.922 -13.550 -7.449 1.00 0.85 H new ATOM 0 HG2 GLN A 20 18.312 -15.928 -7.818 1.00 1.41 H new ATOM 0 HG3 GLN A 20 17.006 -15.457 -8.887 1.00 1.41 H new ATOM 0 HE21 GLN A 20 17.517 -14.824 -11.075 1.00 2.30 H new ATOM 0 HE22 GLN A 20 19.161 -14.916 -11.714 1.00 2.30 H new ATOM 340 N GLN A 21 16.478 -11.403 -6.717 1.00 0.64 N ATOM 341 CA GLN A 21 16.469 -10.059 -6.068 1.00 0.59 C ATOM 342 C GLN A 21 15.685 -10.136 -4.755 1.00 0.50 C ATOM 343 O GLN A 21 16.044 -9.524 -3.765 1.00 0.47 O ATOM 344 CB GLN A 21 15.795 -9.047 -7.009 1.00 0.64 C ATOM 345 CG GLN A 21 16.802 -8.555 -8.054 1.00 1.02 C ATOM 346 CD GLN A 21 17.771 -7.566 -7.402 1.00 1.57 C ATOM 347 OE1 GLN A 21 17.788 -7.419 -6.196 1.00 2.34 O ATOM 348 NE2 GLN A 21 18.583 -6.875 -8.154 1.00 1.94 N ATOM 0 H GLN A 21 16.146 -11.422 -7.681 1.00 0.64 H new ATOM 0 HA GLN A 21 17.492 -9.742 -5.863 1.00 0.59 H new ATOM 0 HB2 GLN A 21 14.941 -9.510 -7.504 1.00 0.64 H new ATOM 0 HB3 GLN A 21 15.412 -8.203 -6.435 1.00 0.64 H new ATOM 0 HG2 GLN A 21 17.352 -9.399 -8.470 1.00 1.02 H new ATOM 0 HG3 GLN A 21 16.279 -8.076 -8.882 1.00 1.02 H new ATOM 0 HE21 GLN A 21 18.569 -6.998 -9.166 1.00 1.94 H new ATOM 0 HE22 GLN A 21 19.231 -6.212 -7.729 1.00 1.94 H new ATOM 357 N LEU A 22 14.623 -10.887 -4.738 1.00 0.52 N ATOM 358 CA LEU A 22 13.823 -11.004 -3.495 1.00 0.46 C ATOM 359 C LEU A 22 14.625 -11.778 -2.449 1.00 0.42 C ATOM 360 O LEU A 22 14.422 -11.620 -1.261 1.00 0.40 O ATOM 361 CB LEU A 22 12.521 -11.748 -3.804 1.00 0.52 C ATOM 362 CG LEU A 22 11.605 -11.763 -2.571 1.00 0.59 C ATOM 363 CD1 LEU A 22 11.108 -10.341 -2.246 1.00 0.52 C ATOM 364 CD2 LEU A 22 10.410 -12.672 -2.866 1.00 0.93 C ATOM 0 H LEU A 22 14.275 -11.424 -5.532 1.00 0.52 H new ATOM 0 HA LEU A 22 13.591 -10.012 -3.108 1.00 0.46 H new ATOM 0 HB2 LEU A 22 12.010 -11.268 -4.638 1.00 0.52 H new ATOM 0 HB3 LEU A 22 12.743 -12.770 -4.112 1.00 0.52 H new ATOM 0 HG LEU A 22 12.161 -12.134 -1.710 1.00 0.59 H new ATOM 0 HD11 LEU A 22 10.461 -10.373 -1.370 1.00 0.52 H new ATOM 0 HD12 LEU A 22 11.962 -9.695 -2.043 1.00 0.52 H new ATOM 0 HD13 LEU A 22 10.549 -9.948 -3.095 1.00 0.52 H new ATOM 0 HD21 LEU A 22 9.748 -12.695 -2.000 1.00 0.93 H new ATOM 0 HD22 LEU A 22 9.866 -12.289 -3.729 1.00 0.93 H new ATOM 0 HD23 LEU A 22 10.764 -13.681 -3.079 1.00 0.93 H new ATOM 376 N GLU A 23 15.530 -12.626 -2.871 1.00 0.44 N ATOM 377 CA GLU A 23 16.316 -13.407 -1.871 1.00 0.42 C ATOM 378 C GLU A 23 17.380 -12.498 -1.246 1.00 0.38 C ATOM 379 O GLU A 23 17.697 -12.612 -0.079 1.00 0.37 O ATOM 380 CB GLU A 23 16.974 -14.607 -2.556 1.00 0.47 C ATOM 381 CG GLU A 23 17.607 -15.521 -1.507 1.00 1.13 C ATOM 382 CD GLU A 23 18.381 -16.638 -2.211 1.00 1.66 C ATOM 383 OE1 GLU A 23 17.990 -17.001 -3.308 1.00 2.28 O ATOM 384 OE2 GLU A 23 19.351 -17.109 -1.642 1.00 2.30 O ATOM 0 H GLU A 23 15.755 -12.809 -3.849 1.00 0.44 H new ATOM 0 HA GLU A 23 15.655 -13.774 -1.086 1.00 0.42 H new ATOM 0 HB2 GLU A 23 16.232 -15.160 -3.133 1.00 0.47 H new ATOM 0 HB3 GLU A 23 17.734 -14.264 -3.259 1.00 0.47 H new ATOM 0 HG2 GLU A 23 18.276 -14.948 -0.865 1.00 1.13 H new ATOM 0 HG3 GLU A 23 16.835 -15.946 -0.865 1.00 1.13 H new ATOM 391 N ILE A 24 17.924 -11.586 -2.011 1.00 0.39 N ATOM 392 CA ILE A 24 18.953 -10.664 -1.457 1.00 0.39 C ATOM 393 C ILE A 24 18.348 -9.930 -0.253 1.00 0.36 C ATOM 394 O ILE A 24 18.929 -9.885 0.813 1.00 0.37 O ATOM 395 CB ILE A 24 19.377 -9.661 -2.559 1.00 0.44 C ATOM 396 CG1 ILE A 24 20.532 -10.242 -3.392 1.00 0.52 C ATOM 397 CG2 ILE A 24 19.833 -8.331 -1.941 1.00 0.48 C ATOM 398 CD1 ILE A 24 20.031 -11.416 -4.233 1.00 0.89 C ATOM 0 H ILE A 24 17.698 -11.442 -2.995 1.00 0.39 H new ATOM 0 HA ILE A 24 19.836 -11.215 -1.132 1.00 0.39 H new ATOM 0 HB ILE A 24 18.512 -9.483 -3.198 1.00 0.44 H new ATOM 0 HG12 ILE A 24 20.948 -9.471 -4.040 1.00 0.52 H new ATOM 0 HG13 ILE A 24 21.336 -10.572 -2.734 1.00 0.52 H new ATOM 0 HG21 ILE A 24 20.126 -7.643 -2.734 1.00 0.48 H new ATOM 0 HG22 ILE A 24 19.014 -7.897 -1.368 1.00 0.48 H new ATOM 0 HG23 ILE A 24 20.683 -8.508 -1.282 1.00 0.48 H new ATOM 0 HD11 ILE A 24 20.855 -11.821 -4.820 1.00 0.89 H new ATOM 0 HD12 ILE A 24 19.637 -12.192 -3.577 1.00 0.89 H new ATOM 0 HD13 ILE A 24 19.243 -11.073 -4.903 1.00 0.89 H new ATOM 410 N LEU A 25 17.184 -9.359 -0.413 1.00 0.34 N ATOM 411 CA LEU A 25 16.552 -8.637 0.730 1.00 0.34 C ATOM 412 C LEU A 25 16.286 -9.628 1.867 1.00 0.32 C ATOM 413 O LEU A 25 16.273 -9.269 3.027 1.00 0.34 O ATOM 414 CB LEU A 25 15.230 -8.010 0.276 1.00 0.36 C ATOM 415 CG LEU A 25 15.476 -7.054 -0.901 1.00 0.38 C ATOM 416 CD1 LEU A 25 14.138 -6.703 -1.556 1.00 0.44 C ATOM 417 CD2 LEU A 25 16.154 -5.765 -0.409 1.00 0.41 C ATOM 0 H LEU A 25 16.646 -9.361 -1.280 1.00 0.34 H new ATOM 0 HA LEU A 25 17.221 -7.850 1.079 1.00 0.34 H new ATOM 0 HB2 LEU A 25 14.531 -8.792 -0.020 1.00 0.36 H new ATOM 0 HB3 LEU A 25 14.772 -7.469 1.104 1.00 0.36 H new ATOM 0 HG LEU A 25 16.128 -7.544 -1.624 1.00 0.38 H new ATOM 0 HD11 LEU A 25 14.309 -6.025 -2.392 1.00 0.44 H new ATOM 0 HD12 LEU A 25 13.661 -7.613 -1.919 1.00 0.44 H new ATOM 0 HD13 LEU A 25 13.490 -6.221 -0.824 1.00 0.44 H new ATOM 0 HD21 LEU A 25 16.322 -5.097 -1.254 1.00 0.41 H new ATOM 0 HD22 LEU A 25 15.512 -5.272 0.321 1.00 0.41 H new ATOM 0 HD23 LEU A 25 17.109 -6.011 0.055 1.00 0.41 H new ATOM 429 N ARG A 26 16.078 -10.875 1.540 1.00 0.31 N ATOM 430 CA ARG A 26 15.817 -11.895 2.595 1.00 0.33 C ATOM 431 C ARG A 26 17.141 -12.271 3.265 1.00 0.31 C ATOM 432 O ARG A 26 17.214 -12.460 4.464 1.00 0.32 O ATOM 433 CB ARG A 26 15.185 -13.138 1.952 1.00 0.38 C ATOM 434 CG ARG A 26 14.505 -13.994 3.031 1.00 0.69 C ATOM 435 CD ARG A 26 14.275 -15.417 2.511 1.00 1.00 C ATOM 436 NE ARG A 26 13.800 -15.382 1.088 1.00 1.36 N ATOM 437 CZ ARG A 26 12.738 -14.708 0.735 1.00 1.86 C ATOM 438 NH1 ARG A 26 11.961 -14.172 1.637 1.00 2.36 N ATOM 439 NH2 ARG A 26 12.422 -14.614 -0.528 1.00 2.46 N ATOM 0 H ARG A 26 16.078 -11.232 0.584 1.00 0.31 H new ATOM 0 HA ARG A 26 15.134 -11.492 3.343 1.00 0.33 H new ATOM 0 HB2 ARG A 26 14.456 -12.838 1.200 1.00 0.38 H new ATOM 0 HB3 ARG A 26 15.950 -13.722 1.440 1.00 0.38 H new ATOM 0 HG2 ARG A 26 15.125 -14.022 3.927 1.00 0.69 H new ATOM 0 HG3 ARG A 26 13.554 -13.545 3.316 1.00 0.69 H new ATOM 0 HD2 ARG A 26 15.200 -15.990 2.579 1.00 1.00 H new ATOM 0 HD3 ARG A 26 13.539 -15.925 3.135 1.00 1.00 H new ATOM 0 HE ARG A 26 14.320 -15.898 0.378 1.00 1.36 H new ATOM 0 HH11 ARG A 26 12.181 -14.278 2.627 1.00 2.36 H new ATOM 0 HH12 ARG A 26 11.134 -13.648 1.351 1.00 2.36 H new ATOM 0 HH21 ARG A 26 13.003 -15.066 -1.234 1.00 2.46 H new ATOM 0 HH22 ARG A 26 11.594 -14.089 -0.809 1.00 2.46 H new ATOM 453 N GLN A 27 18.191 -12.357 2.498 1.00 0.31 N ATOM 454 CA GLN A 27 19.524 -12.694 3.069 1.00 0.32 C ATOM 455 C GLN A 27 19.920 -11.639 4.102 1.00 0.31 C ATOM 456 O GLN A 27 20.396 -11.951 5.176 1.00 0.33 O ATOM 457 CB GLN A 27 20.555 -12.679 1.933 1.00 0.33 C ATOM 458 CG GLN A 27 21.903 -13.204 2.441 1.00 0.99 C ATOM 459 CD GLN A 27 21.788 -14.694 2.776 1.00 1.48 C ATOM 460 OE1 GLN A 27 21.922 -15.536 1.910 1.00 2.02 O ATOM 461 NE2 GLN A 27 21.543 -15.056 4.006 1.00 2.23 N ATOM 0 H GLN A 27 18.182 -12.207 1.489 1.00 0.31 H new ATOM 0 HA GLN A 27 19.486 -13.675 3.544 1.00 0.32 H new ATOM 0 HB2 GLN A 27 20.204 -13.295 1.105 1.00 0.33 H new ATOM 0 HB3 GLN A 27 20.671 -11.665 1.550 1.00 0.33 H new ATOM 0 HG2 GLN A 27 22.672 -13.051 1.684 1.00 0.99 H new ATOM 0 HG3 GLN A 27 22.211 -12.646 3.325 1.00 0.99 H new ATOM 0 HE21 GLN A 27 21.431 -14.349 4.733 1.00 2.23 H new ATOM 0 HE22 GLN A 27 21.464 -16.046 4.240 1.00 2.23 H new ATOM 470 N GLN A 28 19.728 -10.389 3.779 1.00 0.30 N ATOM 471 CA GLN A 28 20.093 -9.305 4.733 1.00 0.31 C ATOM 472 C GLN A 28 19.155 -9.361 5.940 1.00 0.30 C ATOM 473 O GLN A 28 19.544 -9.066 7.053 1.00 0.34 O ATOM 474 CB GLN A 28 19.961 -7.941 4.032 1.00 0.33 C ATOM 475 CG GLN A 28 21.241 -7.624 3.249 1.00 1.10 C ATOM 476 CD GLN A 28 21.575 -8.785 2.311 1.00 1.61 C ATOM 477 OE1 GLN A 28 21.157 -8.799 1.170 1.00 2.28 O ATOM 478 NE2 GLN A 28 22.318 -9.766 2.745 1.00 2.28 N ATOM 0 H GLN A 28 19.333 -10.072 2.894 1.00 0.30 H new ATOM 0 HA GLN A 28 21.122 -9.438 5.067 1.00 0.31 H new ATOM 0 HB2 GLN A 28 19.106 -7.952 3.356 1.00 0.33 H new ATOM 0 HB3 GLN A 28 19.774 -7.161 4.770 1.00 0.33 H new ATOM 0 HG2 GLN A 28 21.109 -6.707 2.675 1.00 1.10 H new ATOM 0 HG3 GLN A 28 22.067 -7.452 3.939 1.00 1.10 H new ATOM 0 HE21 GLN A 28 22.669 -9.755 3.703 1.00 2.28 H new ATOM 0 HE22 GLN A 28 22.548 -10.544 2.127 1.00 2.28 H new ATOM 487 N VAL A 29 17.924 -9.737 5.733 1.00 0.27 N ATOM 488 CA VAL A 29 16.977 -9.806 6.878 1.00 0.28 C ATOM 489 C VAL A 29 17.311 -11.034 7.734 1.00 0.30 C ATOM 490 O VAL A 29 17.470 -10.942 8.935 1.00 0.33 O ATOM 491 CB VAL A 29 15.542 -9.900 6.339 1.00 0.27 C ATOM 492 CG1 VAL A 29 14.579 -10.341 7.454 1.00 0.30 C ATOM 493 CG2 VAL A 29 15.119 -8.527 5.804 1.00 0.27 C ATOM 0 H VAL A 29 17.535 -9.998 4.827 1.00 0.27 H new ATOM 0 HA VAL A 29 17.065 -8.912 7.495 1.00 0.28 H new ATOM 0 HB VAL A 29 15.506 -10.638 5.538 1.00 0.27 H new ATOM 0 HG11 VAL A 29 13.566 -10.403 7.056 1.00 0.30 H new ATOM 0 HG12 VAL A 29 14.881 -11.318 7.831 1.00 0.30 H new ATOM 0 HG13 VAL A 29 14.606 -9.615 8.266 1.00 0.30 H new ATOM 0 HG21 VAL A 29 14.101 -8.584 5.419 1.00 0.27 H new ATOM 0 HG22 VAL A 29 15.162 -7.794 6.609 1.00 0.27 H new ATOM 0 HG23 VAL A 29 15.793 -8.225 5.003 1.00 0.27 H new ATOM 503 N VAL A 30 17.410 -12.181 7.124 1.00 0.31 N ATOM 504 CA VAL A 30 17.723 -13.417 7.893 1.00 0.35 C ATOM 505 C VAL A 30 19.145 -13.350 8.446 1.00 0.37 C ATOM 506 O VAL A 30 19.399 -13.708 9.579 1.00 0.42 O ATOM 507 CB VAL A 30 17.610 -14.616 6.956 1.00 0.35 C ATOM 508 CG1 VAL A 30 17.950 -15.898 7.714 1.00 0.40 C ATOM 509 CG2 VAL A 30 16.184 -14.702 6.414 1.00 0.35 C ATOM 0 H VAL A 30 17.287 -12.316 6.121 1.00 0.31 H new ATOM 0 HA VAL A 30 17.024 -13.512 8.724 1.00 0.35 H new ATOM 0 HB VAL A 30 18.308 -14.496 6.128 1.00 0.35 H new ATOM 0 HG11 VAL A 30 17.868 -16.751 7.041 1.00 0.40 H new ATOM 0 HG12 VAL A 30 18.968 -15.835 8.097 1.00 0.40 H new ATOM 0 HG13 VAL A 30 17.257 -16.024 8.546 1.00 0.40 H new ATOM 0 HG21 VAL A 30 16.100 -15.558 5.744 1.00 0.35 H new ATOM 0 HG22 VAL A 30 15.486 -14.820 7.243 1.00 0.35 H new ATOM 0 HG23 VAL A 30 15.947 -13.789 5.868 1.00 0.35 H new ATOM 519 N SER A 31 20.079 -12.911 7.652 1.00 0.36 N ATOM 520 CA SER A 31 21.487 -12.845 8.136 1.00 0.39 C ATOM 521 C SER A 31 21.544 -12.070 9.454 1.00 0.42 C ATOM 522 O SER A 31 22.369 -12.339 10.304 1.00 0.47 O ATOM 523 CB SER A 31 22.364 -12.153 7.093 1.00 0.38 C ATOM 524 OG SER A 31 21.836 -10.863 6.816 1.00 1.36 O ATOM 0 H SER A 31 19.931 -12.596 6.693 1.00 0.36 H new ATOM 0 HA SER A 31 21.856 -13.858 8.297 1.00 0.39 H new ATOM 0 HB2 SER A 31 23.387 -12.069 7.460 1.00 0.38 H new ATOM 0 HB3 SER A 31 22.401 -12.747 6.180 1.00 0.38 H new ATOM 0 HG SER A 31 20.963 -10.954 6.380 1.00 1.36 H new ATOM 530 N GLU A 32 20.677 -11.109 9.637 1.00 0.42 N ATOM 531 CA GLU A 32 20.696 -10.328 10.906 1.00 0.47 C ATOM 532 C GLU A 32 19.942 -11.096 11.993 1.00 0.49 C ATOM 533 O GLU A 32 19.993 -10.748 13.156 1.00 0.54 O ATOM 534 CB GLU A 32 20.027 -8.971 10.684 1.00 0.48 C ATOM 535 CG GLU A 32 20.857 -8.150 9.696 1.00 0.79 C ATOM 536 CD GLU A 32 22.152 -7.696 10.372 1.00 1.50 C ATOM 537 OE1 GLU A 32 22.074 -7.203 11.485 1.00 2.23 O ATOM 538 OE2 GLU A 32 23.199 -7.851 9.766 1.00 2.22 O ATOM 0 H GLU A 32 19.960 -10.833 8.966 1.00 0.42 H new ATOM 0 HA GLU A 32 21.729 -10.176 11.219 1.00 0.47 H new ATOM 0 HB2 GLU A 32 19.017 -9.110 10.299 1.00 0.48 H new ATOM 0 HB3 GLU A 32 19.937 -8.438 11.631 1.00 0.48 H new ATOM 0 HG2 GLU A 32 21.085 -8.746 8.813 1.00 0.79 H new ATOM 0 HG3 GLU A 32 20.288 -7.284 9.358 1.00 0.79 H new ATOM 545 N GLY A 33 19.243 -12.142 11.621 1.00 0.47 N ATOM 546 CA GLY A 33 18.476 -12.951 12.624 1.00 0.50 C ATOM 547 C GLY A 33 17.026 -13.092 12.156 1.00 0.50 C ATOM 548 O GLY A 33 16.277 -13.901 12.664 1.00 0.66 O ATOM 0 H GLY A 33 19.170 -12.473 10.659 1.00 0.47 H new ATOM 0 HA2 GLY A 33 18.931 -13.935 12.739 1.00 0.50 H new ATOM 0 HA3 GLY A 33 18.510 -12.468 13.601 1.00 0.50 H new ATOM 552 N GLY A 34 16.627 -12.308 11.186 1.00 0.43 N ATOM 553 CA GLY A 34 15.225 -12.383 10.673 1.00 0.43 C ATOM 554 C GLY A 34 14.378 -11.262 11.321 1.00 0.43 C ATOM 555 O GLY A 34 14.591 -10.108 11.005 1.00 0.41 O ATOM 0 H GLY A 34 17.216 -11.615 10.725 1.00 0.43 H new ATOM 0 HA2 GLY A 34 15.217 -12.278 9.588 1.00 0.43 H new ATOM 0 HA3 GLY A 34 14.794 -13.358 10.902 1.00 0.43 H new ATOM 559 N PRO A 35 13.446 -11.592 12.207 1.00 0.47 N ATOM 560 CA PRO A 35 12.618 -10.553 12.855 1.00 0.51 C ATOM 561 C PRO A 35 13.508 -9.538 13.589 1.00 0.52 C ATOM 562 O PRO A 35 13.237 -8.354 13.601 1.00 0.64 O ATOM 563 CB PRO A 35 11.716 -11.320 13.853 1.00 0.57 C ATOM 564 CG PRO A 35 12.038 -12.833 13.710 1.00 0.58 C ATOM 565 CD PRO A 35 13.135 -12.979 12.634 1.00 0.52 C ATOM 0 HA PRO A 35 12.030 -9.986 12.133 1.00 0.51 H new ATOM 0 HB2 PRO A 35 11.901 -10.984 14.873 1.00 0.57 H new ATOM 0 HB3 PRO A 35 10.664 -11.131 13.641 1.00 0.57 H new ATOM 0 HG2 PRO A 35 12.378 -13.243 14.661 1.00 0.58 H new ATOM 0 HG3 PRO A 35 11.145 -13.389 13.424 1.00 0.58 H new ATOM 0 HD2 PRO A 35 14.018 -13.475 13.037 1.00 0.52 H new ATOM 0 HD3 PRO A 35 12.786 -13.581 11.795 1.00 0.52 H new ATOM 573 N THR A 36 14.560 -9.999 14.210 1.00 0.50 N ATOM 574 CA THR A 36 15.458 -9.072 14.956 1.00 0.50 C ATOM 575 C THR A 36 16.275 -8.226 13.978 1.00 0.48 C ATOM 576 O THR A 36 17.169 -7.502 14.370 1.00 0.48 O ATOM 577 CB THR A 36 16.410 -9.890 15.833 1.00 0.51 C ATOM 578 OG1 THR A 36 17.315 -10.606 15.006 1.00 0.69 O ATOM 579 CG2 THR A 36 15.604 -10.873 16.683 1.00 0.80 C ATOM 0 H THR A 36 14.837 -10.980 14.233 1.00 0.50 H new ATOM 0 HA THR A 36 14.852 -8.412 15.577 1.00 0.50 H new ATOM 0 HB THR A 36 16.968 -9.221 16.488 1.00 0.51 H new ATOM 0 HG1 THR A 36 17.926 -11.129 15.566 1.00 0.69 H new ATOM 0 HG21 THR A 36 16.282 -11.455 17.307 1.00 0.80 H new ATOM 0 HG22 THR A 36 14.910 -10.321 17.317 1.00 0.80 H new ATOM 0 HG23 THR A 36 15.045 -11.544 16.031 1.00 0.80 H new ATOM 587 N ALA A 37 15.982 -8.305 12.709 1.00 0.48 N ATOM 588 CA ALA A 37 16.753 -7.497 11.724 1.00 0.48 C ATOM 589 C ALA A 37 16.397 -6.017 11.891 1.00 0.55 C ATOM 590 O ALA A 37 15.363 -5.675 12.429 1.00 1.10 O ATOM 591 CB ALA A 37 16.416 -7.955 10.304 1.00 0.42 C ATOM 0 H ALA A 37 15.246 -8.891 12.314 1.00 0.48 H new ATOM 0 HA ALA A 37 17.820 -7.634 11.898 1.00 0.48 H new ATOM 0 HB1 ALA A 37 16.982 -7.361 9.586 1.00 0.42 H new ATOM 0 HB2 ALA A 37 16.676 -9.007 10.190 1.00 0.42 H new ATOM 0 HB3 ALA A 37 15.349 -7.823 10.123 1.00 0.42 H new ATOM 597 N THR A 38 17.250 -5.137 11.443 1.00 0.45 N ATOM 598 CA THR A 38 16.966 -3.679 11.584 1.00 0.46 C ATOM 599 C THR A 38 15.646 -3.336 10.890 1.00 0.40 C ATOM 600 O THR A 38 15.250 -3.974 9.935 1.00 0.36 O ATOM 601 CB THR A 38 18.100 -2.875 10.944 1.00 0.48 C ATOM 602 OG1 THR A 38 18.072 -3.061 9.535 1.00 0.66 O ATOM 603 CG2 THR A 38 19.444 -3.351 11.497 1.00 0.66 C ATOM 0 H THR A 38 18.133 -5.364 10.985 1.00 0.45 H new ATOM 0 HA THR A 38 16.891 -3.430 12.642 1.00 0.46 H new ATOM 0 HB THR A 38 17.971 -1.818 11.175 1.00 0.48 H new ATOM 0 HG1 THR A 38 18.797 -2.546 9.123 1.00 0.66 H new ATOM 0 HG21 THR A 38 20.250 -2.777 11.039 1.00 0.66 H new ATOM 0 HG22 THR A 38 19.464 -3.208 12.577 1.00 0.66 H new ATOM 0 HG23 THR A 38 19.577 -4.408 11.269 1.00 0.66 H new ATOM 611 N ILE A 39 14.962 -2.328 11.363 1.00 0.47 N ATOM 612 CA ILE A 39 13.669 -1.936 10.733 1.00 0.45 C ATOM 613 C ILE A 39 13.918 -1.592 9.257 1.00 0.40 C ATOM 614 O ILE A 39 13.124 -1.911 8.395 1.00 0.38 O ATOM 615 CB ILE A 39 13.085 -0.721 11.505 1.00 0.55 C ATOM 616 CG1 ILE A 39 12.132 -1.220 12.603 1.00 0.73 C ATOM 617 CG2 ILE A 39 12.317 0.221 10.563 1.00 0.53 C ATOM 618 CD1 ILE A 39 11.794 -0.077 13.565 1.00 0.73 C ATOM 0 H ILE A 39 15.245 -1.758 12.161 1.00 0.47 H new ATOM 0 HA ILE A 39 12.950 -2.754 10.779 1.00 0.45 H new ATOM 0 HB ILE A 39 13.915 -0.169 11.946 1.00 0.55 H new ATOM 0 HG12 ILE A 39 11.219 -1.610 12.153 1.00 0.73 H new ATOM 0 HG13 ILE A 39 12.594 -2.042 13.150 1.00 0.73 H new ATOM 0 HG21 ILE A 39 11.920 1.061 11.133 1.00 0.53 H new ATOM 0 HG22 ILE A 39 12.991 0.592 9.791 1.00 0.53 H new ATOM 0 HG23 ILE A 39 11.495 -0.322 10.097 1.00 0.53 H new ATOM 0 HD11 ILE A 39 11.118 -0.441 14.339 1.00 0.73 H new ATOM 0 HD12 ILE A 39 12.710 0.293 14.027 1.00 0.73 H new ATOM 0 HD13 ILE A 39 11.313 0.732 13.015 1.00 0.73 H new ATOM 630 N GLN A 40 15.011 -0.944 8.961 1.00 0.42 N ATOM 631 CA GLN A 40 15.298 -0.585 7.544 1.00 0.43 C ATOM 632 C GLN A 40 15.364 -1.856 6.694 1.00 0.35 C ATOM 633 O GLN A 40 15.074 -1.840 5.514 1.00 0.37 O ATOM 634 CB GLN A 40 16.636 0.151 7.461 1.00 0.53 C ATOM 635 CG GLN A 40 16.861 0.635 6.027 1.00 1.38 C ATOM 636 CD GLN A 40 18.112 1.514 5.974 1.00 1.91 C ATOM 637 OE1 GLN A 40 19.170 1.112 6.414 1.00 2.54 O ATOM 638 NE2 GLN A 40 18.034 2.706 5.449 1.00 2.43 N ATOM 0 H GLN A 40 15.716 -0.648 9.637 1.00 0.42 H new ATOM 0 HA GLN A 40 14.504 0.061 7.170 1.00 0.43 H new ATOM 0 HB2 GLN A 40 16.641 0.998 8.147 1.00 0.53 H new ATOM 0 HB3 GLN A 40 17.447 -0.511 7.765 1.00 0.53 H new ATOM 0 HG2 GLN A 40 16.975 -0.218 5.358 1.00 1.38 H new ATOM 0 HG3 GLN A 40 15.994 1.198 5.682 1.00 1.38 H new ATOM 0 HE21 GLN A 40 17.145 3.043 5.079 1.00 2.43 H new ATOM 0 HE22 GLN A 40 18.862 3.300 5.408 1.00 2.43 H new ATOM 647 N SER A 41 15.747 -2.955 7.282 1.00 0.31 N ATOM 648 CA SER A 41 15.836 -4.224 6.504 1.00 0.28 C ATOM 649 C SER A 41 14.427 -4.724 6.184 1.00 0.24 C ATOM 650 O SER A 41 14.124 -5.081 5.063 1.00 0.25 O ATOM 651 CB SER A 41 16.576 -5.278 7.328 1.00 0.29 C ATOM 652 OG SER A 41 17.824 -4.749 7.755 1.00 1.32 O ATOM 0 H SER A 41 16.002 -3.030 8.267 1.00 0.31 H new ATOM 0 HA SER A 41 16.378 -4.044 5.576 1.00 0.28 H new ATOM 0 HB2 SER A 41 15.977 -5.568 8.191 1.00 0.29 H new ATOM 0 HB3 SER A 41 16.734 -6.177 6.732 1.00 0.29 H new ATOM 0 HG SER A 41 17.673 -4.072 8.447 1.00 1.32 H new ATOM 658 N ARG A 42 13.562 -4.748 7.159 1.00 0.22 N ATOM 659 CA ARG A 42 12.173 -5.221 6.906 1.00 0.21 C ATOM 660 C ARG A 42 11.465 -4.224 5.987 1.00 0.20 C ATOM 661 O ARG A 42 10.694 -4.597 5.125 1.00 0.20 O ATOM 662 CB ARG A 42 11.418 -5.320 8.235 1.00 0.24 C ATOM 663 CG ARG A 42 12.183 -6.238 9.191 1.00 0.52 C ATOM 664 CD ARG A 42 11.441 -6.322 10.526 1.00 0.82 C ATOM 665 NE ARG A 42 10.157 -7.054 10.336 1.00 1.50 N ATOM 666 CZ ARG A 42 9.506 -7.508 11.372 1.00 1.92 C ATOM 667 NH1 ARG A 42 9.980 -7.323 12.574 1.00 1.83 N ATOM 668 NH2 ARG A 42 8.380 -8.147 11.205 1.00 2.91 N ATOM 0 H ARG A 42 13.756 -4.461 8.118 1.00 0.22 H new ATOM 0 HA ARG A 42 12.198 -6.202 6.432 1.00 0.21 H new ATOM 0 HB2 ARG A 42 11.307 -4.330 8.676 1.00 0.24 H new ATOM 0 HB3 ARG A 42 10.414 -5.709 8.067 1.00 0.24 H new ATOM 0 HG2 ARG A 42 12.282 -7.232 8.755 1.00 0.52 H new ATOM 0 HG3 ARG A 42 13.192 -5.857 9.348 1.00 0.52 H new ATOM 0 HD2 ARG A 42 12.057 -6.833 11.265 1.00 0.82 H new ATOM 0 HD3 ARG A 42 11.248 -5.321 10.910 1.00 0.82 H new ATOM 0 HE ARG A 42 9.787 -7.200 9.397 1.00 1.50 H new ATOM 0 HH11 ARG A 42 10.860 -6.823 12.704 1.00 1.83 H new ATOM 0 HH12 ARG A 42 9.471 -7.678 13.383 1.00 1.83 H new ATOM 0 HH21 ARG A 42 8.010 -8.291 10.266 1.00 2.91 H new ATOM 0 HH22 ARG A 42 7.870 -8.502 12.014 1.00 2.91 H new ATOM 682 N PHE A 43 11.715 -2.957 6.172 1.00 0.22 N ATOM 683 CA PHE A 43 11.052 -1.928 5.321 1.00 0.24 C ATOM 684 C PHE A 43 11.247 -2.264 3.838 1.00 0.23 C ATOM 685 O PHE A 43 10.297 -2.351 3.085 1.00 0.23 O ATOM 686 CB PHE A 43 11.662 -0.553 5.622 1.00 0.28 C ATOM 687 CG PHE A 43 10.735 0.535 5.128 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.710 0.869 3.768 1.00 1.40 C ATOM 689 CD2 PHE A 43 9.899 1.208 6.029 1.00 1.18 C ATOM 690 CE1 PHE A 43 9.851 1.875 3.310 1.00 1.48 C ATOM 691 CE2 PHE A 43 9.041 2.213 5.570 1.00 1.22 C ATOM 692 CZ PHE A 43 9.017 2.547 4.211 1.00 0.70 C ATOM 0 H PHE A 43 12.352 -2.589 6.878 1.00 0.22 H new ATOM 0 HA PHE A 43 9.985 -1.914 5.542 1.00 0.24 H new ATOM 0 HB2 PHE A 43 11.827 -0.444 6.694 1.00 0.28 H new ATOM 0 HB3 PHE A 43 12.635 -0.462 5.139 1.00 0.28 H new ATOM 0 HD1 PHE A 43 11.353 0.350 3.073 1.00 1.40 H new ATOM 0 HD2 PHE A 43 9.917 0.951 7.078 1.00 1.18 H new ATOM 0 HE1 PHE A 43 9.832 2.133 2.261 1.00 1.48 H new ATOM 0 HE2 PHE A 43 8.397 2.731 6.265 1.00 1.22 H new ATOM 0 HZ PHE A 43 8.355 3.323 3.858 1.00 0.70 H new ATOM 702 N ASN A 44 12.465 -2.450 3.405 1.00 0.24 N ATOM 703 CA ASN A 44 12.703 -2.773 1.969 1.00 0.24 C ATOM 704 C ASN A 44 12.104 -4.143 1.646 1.00 0.22 C ATOM 705 O ASN A 44 11.528 -4.348 0.596 1.00 0.23 O ATOM 706 CB ASN A 44 14.210 -2.797 1.699 1.00 0.25 C ATOM 707 CG ASN A 44 14.462 -2.903 0.194 1.00 0.95 C ATOM 708 OD1 ASN A 44 13.615 -3.363 -0.546 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.602 -2.495 -0.293 1.00 1.67 N ATOM 0 H ASN A 44 13.304 -2.392 3.982 1.00 0.24 H new ATOM 0 HA ASN A 44 12.231 -2.016 1.342 1.00 0.24 H new ATOM 0 HB2 ASN A 44 14.674 -1.893 2.092 1.00 0.25 H new ATOM 0 HB3 ASN A 44 14.668 -3.641 2.215 1.00 0.25 H new ATOM 0 HD21 ASN A 44 15.782 -2.562 -1.295 1.00 1.67 H new ATOM 0 HD22 ASN A 44 16.313 -2.109 0.328 1.00 1.67 H new ATOM 716 N TYR A 45 12.236 -5.082 2.541 1.00 0.21 N ATOM 717 CA TYR A 45 11.675 -6.439 2.289 1.00 0.20 C ATOM 718 C TYR A 45 10.191 -6.318 1.931 1.00 0.21 C ATOM 719 O TYR A 45 9.671 -7.072 1.131 1.00 0.22 O ATOM 720 CB TYR A 45 11.835 -7.288 3.553 1.00 0.20 C ATOM 721 CG TYR A 45 11.405 -8.713 3.276 1.00 0.21 C ATOM 722 CD1 TYR A 45 12.124 -9.495 2.362 1.00 1.33 C ATOM 723 CD2 TYR A 45 10.293 -9.255 3.936 1.00 1.12 C ATOM 724 CE1 TYR A 45 11.731 -10.815 2.108 1.00 1.43 C ATOM 725 CE2 TYR A 45 9.902 -10.575 3.681 1.00 1.05 C ATOM 726 CZ TYR A 45 10.621 -11.354 2.768 1.00 0.43 C ATOM 727 OH TYR A 45 10.234 -12.655 2.517 1.00 0.57 O ATOM 0 H TYR A 45 12.709 -4.968 3.438 1.00 0.21 H new ATOM 0 HA TYR A 45 12.205 -6.912 1.462 1.00 0.20 H new ATOM 0 HB2 TYR A 45 12.873 -7.270 3.884 1.00 0.20 H new ATOM 0 HB3 TYR A 45 11.236 -6.869 4.361 1.00 0.20 H new ATOM 0 HD1 TYR A 45 12.981 -9.080 1.853 1.00 1.33 H new ATOM 0 HD2 TYR A 45 9.738 -8.654 4.641 1.00 1.12 H new ATOM 0 HE1 TYR A 45 12.285 -11.417 1.403 1.00 1.43 H new ATOM 0 HE2 TYR A 45 9.045 -10.992 4.189 1.00 1.05 H new ATOM 0 HH TYR A 45 9.446 -12.872 3.058 1.00 0.57 H new ATOM 737 N ALA A 46 9.506 -5.372 2.515 1.00 0.22 N ATOM 738 CA ALA A 46 8.056 -5.198 2.211 1.00 0.24 C ATOM 739 C ALA A 46 7.888 -4.564 0.829 1.00 0.25 C ATOM 740 O ALA A 46 6.918 -4.808 0.140 1.00 0.28 O ATOM 741 CB ALA A 46 7.421 -4.289 3.265 1.00 0.26 C ATOM 0 H ALA A 46 9.889 -4.711 3.191 1.00 0.22 H new ATOM 0 HA ALA A 46 7.568 -6.172 2.223 1.00 0.24 H new ATOM 0 HB1 ALA A 46 6.361 -4.161 3.044 1.00 0.26 H new ATOM 0 HB2 ALA A 46 7.534 -4.740 4.251 1.00 0.26 H new ATOM 0 HB3 ALA A 46 7.914 -3.317 3.252 1.00 0.26 H new ATOM 747 N TRP A 47 8.817 -3.745 0.419 1.00 0.26 N ATOM 748 CA TRP A 47 8.693 -3.093 -0.915 1.00 0.29 C ATOM 749 C TRP A 47 8.754 -4.154 -2.018 1.00 0.29 C ATOM 750 O TRP A 47 7.945 -4.159 -2.925 1.00 0.29 O ATOM 751 CB TRP A 47 9.829 -2.078 -1.090 1.00 0.33 C ATOM 752 CG TRP A 47 9.794 -1.478 -2.465 1.00 0.34 C ATOM 753 CD1 TRP A 47 10.800 -1.564 -3.366 1.00 0.38 C ATOM 754 CD2 TRP A 47 8.738 -0.696 -3.107 1.00 0.35 C ATOM 755 NE1 TRP A 47 10.431 -0.893 -4.517 1.00 0.40 N ATOM 756 CE2 TRP A 47 9.171 -0.341 -4.409 1.00 0.38 C ATOM 757 CE3 TRP A 47 7.462 -0.265 -2.697 1.00 0.36 C ATOM 758 CZ2 TRP A 47 8.368 0.411 -5.272 1.00 0.42 C ATOM 759 CZ3 TRP A 47 6.653 0.492 -3.562 1.00 0.42 C ATOM 760 CH2 TRP A 47 7.105 0.828 -4.845 1.00 0.44 C ATOM 0 H TRP A 47 9.654 -3.500 0.948 1.00 0.26 H new ATOM 0 HA TRP A 47 7.737 -2.574 -0.983 1.00 0.29 H new ATOM 0 HB2 TRP A 47 9.739 -1.291 -0.341 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.789 -2.567 -0.925 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.739 -2.074 -3.211 1.00 0.38 H new ATOM 0 HE1 TRP A 47 11.020 -0.815 -5.346 1.00 0.40 H new ATOM 0 HE3 TRP A 47 7.102 -0.518 -1.711 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.721 0.667 -6.260 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 5.676 0.817 -3.235 1.00 0.42 H new ATOM 0 HH2 TRP A 47 6.477 1.409 -5.504 1.00 0.44 H new ATOM 771 N GLY A 48 9.705 -5.047 -1.964 1.00 0.29 N ATOM 772 CA GLY A 48 9.805 -6.089 -3.025 1.00 0.30 C ATOM 773 C GLY A 48 8.539 -6.947 -3.034 1.00 0.27 C ATOM 774 O GLY A 48 8.051 -7.335 -4.077 1.00 0.29 O ATOM 0 H GLY A 48 10.415 -5.100 -1.233 1.00 0.29 H new ATOM 0 HA2 GLY A 48 9.942 -5.617 -3.998 1.00 0.30 H new ATOM 0 HA3 GLY A 48 10.679 -6.717 -2.849 1.00 0.30 H new ATOM 778 N LEU A 49 8.004 -7.252 -1.884 1.00 0.25 N ATOM 779 CA LEU A 49 6.774 -8.093 -1.842 1.00 0.24 C ATOM 780 C LEU A 49 5.607 -7.339 -2.483 1.00 0.24 C ATOM 781 O LEU A 49 4.721 -7.934 -3.065 1.00 0.29 O ATOM 782 CB LEU A 49 6.424 -8.429 -0.388 1.00 0.23 C ATOM 783 CG LEU A 49 7.519 -9.312 0.243 1.00 0.23 C ATOM 784 CD1 LEU A 49 7.422 -9.243 1.781 1.00 0.24 C ATOM 785 CD2 LEU A 49 7.344 -10.775 -0.206 1.00 0.26 C ATOM 0 H LEU A 49 8.363 -6.957 -0.976 1.00 0.25 H new ATOM 0 HA LEU A 49 6.957 -9.015 -2.394 1.00 0.24 H new ATOM 0 HB2 LEU A 49 6.314 -7.510 0.187 1.00 0.23 H new ATOM 0 HB3 LEU A 49 5.465 -8.946 -0.349 1.00 0.23 H new ATOM 0 HG LEU A 49 8.493 -8.947 -0.082 1.00 0.23 H new ATOM 0 HD11 LEU A 49 8.198 -9.868 2.223 1.00 0.24 H new ATOM 0 HD12 LEU A 49 7.557 -8.212 2.108 1.00 0.24 H new ATOM 0 HD13 LEU A 49 6.443 -9.600 2.100 1.00 0.24 H new ATOM 0 HD21 LEU A 49 8.123 -11.390 0.246 1.00 0.26 H new ATOM 0 HD22 LEU A 49 6.366 -11.138 0.110 1.00 0.26 H new ATOM 0 HD23 LEU A 49 7.419 -10.834 -1.292 1.00 0.26 H new ATOM 797 N ILE A 50 5.588 -6.038 -2.380 1.00 0.24 N ATOM 798 CA ILE A 50 4.465 -5.268 -2.985 1.00 0.26 C ATOM 799 C ILE A 50 4.592 -5.278 -4.511 1.00 0.27 C ATOM 800 O ILE A 50 3.605 -5.262 -5.219 1.00 0.29 O ATOM 801 CB ILE A 50 4.489 -3.825 -2.466 1.00 0.28 C ATOM 802 CG1 ILE A 50 4.081 -3.818 -0.990 1.00 0.32 C ATOM 803 CG2 ILE A 50 3.503 -2.964 -3.266 1.00 0.32 C ATOM 804 CD1 ILE A 50 4.374 -2.445 -0.384 1.00 0.73 C ATOM 0 H ILE A 50 6.297 -5.478 -1.906 1.00 0.24 H new ATOM 0 HA ILE A 50 3.519 -5.731 -2.705 1.00 0.26 H new ATOM 0 HB ILE A 50 5.494 -3.418 -2.579 1.00 0.28 H new ATOM 0 HG12 ILE A 50 3.020 -4.050 -0.894 1.00 0.32 H new ATOM 0 HG13 ILE A 50 4.627 -4.590 -0.448 1.00 0.32 H new ATOM 0 HG21 ILE A 50 3.526 -1.941 -2.891 1.00 0.32 H new ATOM 0 HG22 ILE A 50 3.785 -2.971 -4.319 1.00 0.32 H new ATOM 0 HG23 ILE A 50 2.496 -3.367 -3.157 1.00 0.32 H new ATOM 0 HD11 ILE A 50 4.083 -2.441 0.666 1.00 0.73 H new ATOM 0 HD12 ILE A 50 5.440 -2.231 -0.466 1.00 0.73 H new ATOM 0 HD13 ILE A 50 3.808 -1.683 -0.920 1.00 0.73 H new ATOM 816 N LYS A 51 5.789 -5.313 -5.033 1.00 0.28 N ATOM 817 CA LYS A 51 5.950 -5.332 -6.516 1.00 0.31 C ATOM 818 C LYS A 51 5.641 -6.735 -7.036 1.00 0.31 C ATOM 819 O LYS A 51 5.565 -6.965 -8.227 1.00 0.36 O ATOM 820 CB LYS A 51 7.388 -4.945 -6.872 1.00 0.37 C ATOM 821 CG LYS A 51 7.659 -3.519 -6.383 1.00 0.72 C ATOM 822 CD LYS A 51 9.121 -3.140 -6.655 1.00 0.79 C ATOM 823 CE LYS A 51 9.403 -3.123 -8.166 1.00 0.87 C ATOM 824 NZ LYS A 51 10.435 -2.089 -8.459 1.00 1.58 N ATOM 0 H LYS A 51 6.658 -5.329 -4.500 1.00 0.28 H new ATOM 0 HA LYS A 51 5.264 -4.620 -6.975 1.00 0.31 H new ATOM 0 HB2 LYS A 51 8.090 -5.640 -6.411 1.00 0.37 H new ATOM 0 HB3 LYS A 51 7.539 -5.008 -7.950 1.00 0.37 H new ATOM 0 HG2 LYS A 51 6.993 -2.820 -6.889 1.00 0.72 H new ATOM 0 HG3 LYS A 51 7.448 -3.445 -5.316 1.00 0.72 H new ATOM 0 HD2 LYS A 51 9.334 -2.160 -6.229 1.00 0.79 H new ATOM 0 HD3 LYS A 51 9.784 -3.852 -6.164 1.00 0.79 H new ATOM 0 HE2 LYS A 51 9.749 -4.103 -8.495 1.00 0.87 H new ATOM 0 HE3 LYS A 51 8.488 -2.907 -8.717 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 10.778 -2.207 -9.434 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 10.018 -1.142 -8.351 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 11.230 -2.195 -7.797 1.00 1.58 H new ATOM 838 N SER A 52 5.454 -7.676 -6.150 1.00 0.32 N ATOM 839 CA SER A 52 5.140 -9.062 -6.592 1.00 0.34 C ATOM 840 C SER A 52 3.807 -9.057 -7.341 1.00 0.35 C ATOM 841 O SER A 52 3.023 -8.137 -7.222 1.00 0.36 O ATOM 842 CB SER A 52 5.039 -9.977 -5.370 1.00 0.36 C ATOM 843 OG SER A 52 3.869 -9.648 -4.633 1.00 1.14 O ATOM 0 H SER A 52 5.505 -7.543 -5.140 1.00 0.32 H new ATOM 0 HA SER A 52 5.929 -9.427 -7.250 1.00 0.34 H new ATOM 0 HB2 SER A 52 5.004 -11.020 -5.684 1.00 0.36 H new ATOM 0 HB3 SER A 52 5.923 -9.863 -4.742 1.00 0.36 H new ATOM 0 HG SER A 52 4.022 -8.822 -4.128 1.00 1.14 H new ATOM 849 N THR A 53 3.544 -10.073 -8.119 1.00 0.38 N ATOM 850 CA THR A 53 2.262 -10.119 -8.883 1.00 0.41 C ATOM 851 C THR A 53 1.180 -10.800 -8.043 1.00 0.40 C ATOM 852 O THR A 53 0.020 -10.442 -8.106 1.00 0.52 O ATOM 853 CB THR A 53 2.472 -10.908 -10.177 1.00 0.46 C ATOM 854 OG1 THR A 53 2.971 -12.201 -9.867 1.00 0.51 O ATOM 855 CG2 THR A 53 3.474 -10.170 -11.066 1.00 0.49 C ATOM 0 H THR A 53 4.161 -10.873 -8.259 1.00 0.38 H new ATOM 0 HA THR A 53 1.947 -9.102 -9.118 1.00 0.41 H new ATOM 0 HB THR A 53 1.523 -11.004 -10.704 1.00 0.46 H new ATOM 0 HG1 THR A 53 3.104 -12.708 -10.695 1.00 0.51 H new ATOM 0 HG21 THR A 53 3.624 -10.731 -11.988 1.00 0.49 H new ATOM 0 HG22 THR A 53 3.088 -9.178 -11.303 1.00 0.49 H new ATOM 0 HG23 THR A 53 4.424 -10.074 -10.541 1.00 0.49 H new ATOM 863 N ASP A 54 1.541 -11.779 -7.258 1.00 0.39 N ATOM 864 CA ASP A 54 0.518 -12.472 -6.424 1.00 0.38 C ATOM 865 C ASP A 54 0.112 -11.567 -5.255 1.00 0.37 C ATOM 866 O ASP A 54 0.881 -10.766 -4.760 1.00 0.36 O ATOM 867 CB ASP A 54 1.071 -13.803 -5.908 1.00 0.38 C ATOM 868 CG ASP A 54 -0.051 -14.618 -5.263 1.00 1.31 C ATOM 869 OD1 ASP A 54 -0.749 -14.072 -4.424 1.00 1.86 O ATOM 870 OD2 ASP A 54 -0.191 -15.778 -5.616 1.00 2.18 O ATOM 0 H ASP A 54 2.495 -12.127 -7.158 1.00 0.39 H new ATOM 0 HA ASP A 54 -0.362 -12.681 -7.032 1.00 0.38 H new ATOM 0 HB2 ASP A 54 1.515 -14.365 -6.730 1.00 0.38 H new ATOM 0 HB3 ASP A 54 1.863 -13.621 -5.182 1.00 0.38 H new ATOM 875 N VAL A 55 -1.115 -11.705 -4.828 1.00 0.37 N ATOM 876 CA VAL A 55 -1.650 -10.884 -3.704 1.00 0.37 C ATOM 877 C VAL A 55 -1.184 -11.450 -2.362 1.00 0.35 C ATOM 878 O VAL A 55 -1.215 -10.779 -1.353 1.00 0.35 O ATOM 879 CB VAL A 55 -3.179 -10.891 -3.763 1.00 0.39 C ATOM 880 CG1 VAL A 55 -3.718 -12.270 -3.369 1.00 0.42 C ATOM 881 CG2 VAL A 55 -3.728 -9.836 -2.802 1.00 0.40 C ATOM 0 H VAL A 55 -1.783 -12.368 -5.221 1.00 0.37 H new ATOM 0 HA VAL A 55 -1.280 -9.863 -3.798 1.00 0.37 H new ATOM 0 HB VAL A 55 -3.497 -10.665 -4.781 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -4.807 -12.262 -3.415 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -3.331 -13.022 -4.057 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -3.400 -12.509 -2.354 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -4.817 -9.839 -2.842 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -3.402 -10.063 -1.787 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -3.357 -8.853 -3.091 1.00 0.40 H new ATOM 891 N ASN A 56 -0.739 -12.669 -2.352 1.00 0.34 N ATOM 892 CA ASN A 56 -0.252 -13.275 -1.081 1.00 0.34 C ATOM 893 C ASN A 56 0.926 -12.455 -0.549 1.00 0.31 C ATOM 894 O ASN A 56 0.980 -12.097 0.613 1.00 0.31 O ATOM 895 CB ASN A 56 0.206 -14.710 -1.352 1.00 0.36 C ATOM 896 CG ASN A 56 -0.974 -15.529 -1.879 1.00 1.34 C ATOM 897 OD1 ASN A 56 -2.093 -15.358 -1.437 1.00 2.14 O ATOM 898 ND2 ASN A 56 -0.771 -16.419 -2.811 1.00 2.11 N ATOM 0 H ASN A 56 -0.690 -13.277 -3.169 1.00 0.34 H new ATOM 0 HA ASN A 56 -1.054 -13.280 -0.343 1.00 0.34 H new ATOM 0 HB2 ASN A 56 1.018 -14.713 -2.079 1.00 0.36 H new ATOM 0 HB3 ASN A 56 0.595 -15.158 -0.438 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -1.551 -16.971 -3.168 1.00 2.11 H new ATOM 0 HD22 ASN A 56 0.168 -16.563 -3.183 1.00 2.11 H new ATOM 905 N ASP A 57 1.871 -12.151 -1.389 1.00 0.30 N ATOM 906 CA ASP A 57 3.040 -11.353 -0.934 1.00 0.30 C ATOM 907 C ASP A 57 2.628 -9.885 -0.794 1.00 0.29 C ATOM 908 O ASP A 57 3.177 -9.147 -0.002 1.00 0.28 O ATOM 909 CB ASP A 57 4.159 -11.477 -1.971 1.00 0.33 C ATOM 910 CG ASP A 57 4.806 -12.860 -1.861 1.00 0.42 C ATOM 911 OD1 ASP A 57 5.232 -13.208 -0.773 1.00 1.09 O ATOM 912 OD2 ASP A 57 4.864 -13.547 -2.868 1.00 1.23 O ATOM 0 H ASP A 57 1.885 -12.421 -2.373 1.00 0.30 H new ATOM 0 HA ASP A 57 3.390 -11.722 0.030 1.00 0.30 H new ATOM 0 HB2 ASP A 57 3.758 -11.330 -2.974 1.00 0.33 H new ATOM 0 HB3 ASP A 57 4.906 -10.700 -1.810 1.00 0.33 H new ATOM 917 N GLU A 58 1.667 -9.457 -1.564 1.00 0.33 N ATOM 918 CA GLU A 58 1.221 -8.036 -1.491 1.00 0.36 C ATOM 919 C GLU A 58 0.564 -7.752 -0.134 1.00 0.34 C ATOM 920 O GLU A 58 0.861 -6.767 0.514 1.00 0.34 O ATOM 921 CB GLU A 58 0.211 -7.775 -2.615 1.00 0.42 C ATOM 922 CG GLU A 58 0.111 -6.275 -2.892 1.00 0.92 C ATOM 923 CD GLU A 58 -0.812 -6.048 -4.088 1.00 1.66 C ATOM 924 OE1 GLU A 58 -0.323 -6.093 -5.205 1.00 2.21 O ATOM 925 OE2 GLU A 58 -1.993 -5.834 -3.868 1.00 2.45 O ATOM 0 H GLU A 58 1.169 -10.032 -2.244 1.00 0.33 H new ATOM 0 HA GLU A 58 2.085 -7.381 -1.603 1.00 0.36 H new ATOM 0 HB2 GLU A 58 0.518 -8.300 -3.520 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -0.767 -8.167 -2.335 1.00 0.42 H new ATOM 0 HG2 GLU A 58 -0.275 -5.756 -2.015 1.00 0.92 H new ATOM 0 HG3 GLU A 58 1.099 -5.864 -3.096 1.00 0.92 H new ATOM 932 N ARG A 59 -0.327 -8.601 0.299 1.00 0.33 N ATOM 933 CA ARG A 59 -1.002 -8.374 1.610 1.00 0.34 C ATOM 934 C ARG A 59 0.003 -8.577 2.748 1.00 0.30 C ATOM 935 O ARG A 59 -0.164 -8.059 3.836 1.00 0.31 O ATOM 936 CB ARG A 59 -2.169 -9.353 1.771 1.00 0.40 C ATOM 937 CG ARG A 59 -1.635 -10.782 1.801 1.00 0.68 C ATOM 938 CD ARG A 59 -2.800 -11.771 1.745 1.00 0.95 C ATOM 939 NE ARG A 59 -2.275 -13.157 1.901 1.00 1.62 N ATOM 940 CZ ARG A 59 -3.091 -14.137 2.174 1.00 2.13 C ATOM 941 NH1 ARG A 59 -4.368 -13.906 2.306 1.00 2.23 N ATOM 942 NH2 ARG A 59 -2.629 -15.350 2.314 1.00 3.12 N ATOM 0 H ARG A 59 -0.618 -9.443 -0.198 1.00 0.33 H new ATOM 0 HA ARG A 59 -1.385 -7.354 1.644 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -2.714 -9.138 2.690 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -2.873 -9.234 0.948 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -0.965 -10.947 0.958 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -1.052 -10.943 2.708 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -3.518 -11.550 2.535 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -3.329 -11.674 0.797 1.00 0.95 H new ATOM 0 HE ARG A 59 -1.277 -13.339 1.794 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -4.729 -12.958 2.196 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -5.006 -14.673 2.520 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -1.631 -15.531 2.210 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -3.267 -16.117 2.528 1.00 3.12 H new ATOM 956 N LEU A 60 1.052 -9.316 2.504 1.00 0.28 N ATOM 957 CA LEU A 60 2.068 -9.536 3.573 1.00 0.27 C ATOM 958 C LEU A 60 2.893 -8.257 3.754 1.00 0.25 C ATOM 959 O LEU A 60 3.181 -7.843 4.860 1.00 0.26 O ATOM 960 CB LEU A 60 2.987 -10.695 3.166 1.00 0.29 C ATOM 961 CG LEU A 60 4.112 -10.883 4.196 1.00 0.30 C ATOM 962 CD1 LEU A 60 3.519 -11.159 5.586 1.00 0.32 C ATOM 963 CD2 LEU A 60 4.984 -12.067 3.766 1.00 0.34 C ATOM 0 H LEU A 60 1.249 -9.775 1.615 1.00 0.28 H new ATOM 0 HA LEU A 60 1.572 -9.782 4.512 1.00 0.27 H new ATOM 0 HB2 LEU A 60 2.407 -11.614 3.082 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.416 -10.498 2.183 1.00 0.29 H new ATOM 0 HG LEU A 60 4.713 -9.975 4.246 1.00 0.30 H new ATOM 0 HD11 LEU A 60 4.326 -11.290 6.306 1.00 0.32 H new ATOM 0 HD12 LEU A 60 2.895 -10.318 5.889 1.00 0.32 H new ATOM 0 HD13 LEU A 60 2.914 -12.065 5.550 1.00 0.32 H new ATOM 0 HD21 LEU A 60 5.786 -12.210 4.490 1.00 0.34 H new ATOM 0 HD22 LEU A 60 4.374 -12.969 3.717 1.00 0.34 H new ATOM 0 HD23 LEU A 60 5.413 -11.865 2.784 1.00 0.34 H new ATOM 975 N GLY A 61 3.274 -7.629 2.675 1.00 0.22 N ATOM 976 CA GLY A 61 4.080 -6.379 2.779 1.00 0.21 C ATOM 977 C GLY A 61 3.290 -5.316 3.549 1.00 0.20 C ATOM 978 O GLY A 61 3.832 -4.597 4.365 1.00 0.21 O ATOM 0 H GLY A 61 3.061 -7.929 1.723 1.00 0.22 H new ATOM 0 HA2 GLY A 61 5.022 -6.584 3.287 1.00 0.21 H new ATOM 0 HA3 GLY A 61 4.328 -6.011 1.783 1.00 0.21 H new ATOM 982 N VAL A 62 2.015 -5.211 3.295 1.00 0.20 N ATOM 983 CA VAL A 62 1.190 -4.195 4.011 1.00 0.21 C ATOM 984 C VAL A 62 1.322 -4.419 5.523 1.00 0.22 C ATOM 985 O VAL A 62 1.568 -3.498 6.277 1.00 0.25 O ATOM 986 CB VAL A 62 -0.285 -4.344 3.561 1.00 0.23 C ATOM 987 CG1 VAL A 62 -1.253 -3.964 4.694 1.00 0.28 C ATOM 988 CG2 VAL A 62 -0.550 -3.438 2.349 1.00 0.31 C ATOM 0 H VAL A 62 1.507 -5.785 2.622 1.00 0.20 H new ATOM 0 HA VAL A 62 1.532 -3.187 3.776 1.00 0.21 H new ATOM 0 HB VAL A 62 -0.453 -5.388 3.295 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -2.280 -4.078 4.348 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -1.084 -4.616 5.551 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -1.082 -2.928 4.987 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -1.588 -3.545 2.035 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -0.359 -2.400 2.622 1.00 0.31 H new ATOM 0 HG23 VAL A 62 0.109 -3.725 1.529 1.00 0.31 H new ATOM 998 N LYS A 63 1.148 -5.630 5.969 1.00 0.24 N ATOM 999 CA LYS A 63 1.249 -5.907 7.429 1.00 0.28 C ATOM 1000 C LYS A 63 2.602 -5.425 7.962 1.00 0.26 C ATOM 1001 O LYS A 63 2.686 -4.845 9.026 1.00 0.29 O ATOM 1002 CB LYS A 63 1.102 -7.410 7.660 1.00 0.33 C ATOM 1003 CG LYS A 63 0.907 -7.683 9.154 1.00 0.47 C ATOM 1004 CD LYS A 63 1.076 -9.180 9.430 1.00 0.58 C ATOM 1005 CE LYS A 63 -0.001 -9.972 8.682 1.00 1.60 C ATOM 1006 NZ LYS A 63 -0.117 -11.334 9.276 1.00 2.36 N ATOM 0 H LYS A 63 0.940 -6.441 5.386 1.00 0.24 H new ATOM 0 HA LYS A 63 0.458 -5.376 7.958 1.00 0.28 H new ATOM 0 HB2 LYS A 63 0.252 -7.793 7.096 1.00 0.33 H new ATOM 0 HB3 LYS A 63 1.987 -7.932 7.297 1.00 0.33 H new ATOM 0 HG2 LYS A 63 1.631 -7.112 9.736 1.00 0.47 H new ATOM 0 HG3 LYS A 63 -0.084 -7.355 9.467 1.00 0.47 H new ATOM 0 HD2 LYS A 63 2.066 -9.508 9.114 1.00 0.58 H new ATOM 0 HD3 LYS A 63 1.003 -9.372 10.501 1.00 0.58 H new ATOM 0 HE2 LYS A 63 -0.958 -9.454 8.744 1.00 1.60 H new ATOM 0 HE3 LYS A 63 0.254 -10.045 7.625 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 -0.848 -11.873 8.769 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 0.795 -11.827 9.195 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 -0.379 -11.254 10.279 1.00 2.36 H new ATOM 1020 N ILE A 64 3.661 -5.650 7.233 1.00 0.25 N ATOM 1021 CA ILE A 64 4.999 -5.193 7.706 1.00 0.25 C ATOM 1022 C ILE A 64 4.999 -3.662 7.804 1.00 0.22 C ATOM 1023 O ILE A 64 5.400 -3.095 8.801 1.00 0.22 O ATOM 1024 CB ILE A 64 6.075 -5.666 6.712 1.00 0.28 C ATOM 1025 CG1 ILE A 64 6.344 -7.160 6.931 1.00 0.33 C ATOM 1026 CG2 ILE A 64 7.378 -4.885 6.925 1.00 0.32 C ATOM 1027 CD1 ILE A 64 7.129 -7.724 5.743 1.00 0.35 C ATOM 0 H ILE A 64 3.658 -6.129 6.333 1.00 0.25 H new ATOM 0 HA ILE A 64 5.216 -5.613 8.688 1.00 0.25 H new ATOM 0 HB ILE A 64 5.718 -5.493 5.697 1.00 0.28 H new ATOM 0 HG12 ILE A 64 6.906 -7.307 7.853 1.00 0.33 H new ATOM 0 HG13 ILE A 64 5.402 -7.696 7.044 1.00 0.33 H new ATOM 0 HG21 ILE A 64 8.129 -5.230 6.215 1.00 0.32 H new ATOM 0 HG22 ILE A 64 7.194 -3.822 6.770 1.00 0.32 H new ATOM 0 HG23 ILE A 64 7.737 -5.047 7.941 1.00 0.32 H new ATOM 0 HD11 ILE A 64 7.318 -8.786 5.903 1.00 0.35 H new ATOM 0 HD12 ILE A 64 6.550 -7.592 4.829 1.00 0.35 H new ATOM 0 HD13 ILE A 64 8.078 -7.196 5.651 1.00 0.35 H new ATOM 1039 N LEU A 65 4.555 -2.993 6.777 1.00 0.20 N ATOM 1040 CA LEU A 65 4.531 -1.503 6.809 1.00 0.19 C ATOM 1041 C LEU A 65 3.705 -1.024 8.005 1.00 0.19 C ATOM 1042 O LEU A 65 3.969 0.020 8.568 1.00 0.20 O ATOM 1043 CB LEU A 65 3.904 -0.964 5.517 1.00 0.22 C ATOM 1044 CG LEU A 65 4.880 -1.128 4.339 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.112 -0.963 3.024 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.000 -0.071 4.408 1.00 0.42 C ATOM 0 H LEU A 65 4.207 -3.414 5.915 1.00 0.20 H new ATOM 0 HA LEU A 65 5.553 -1.135 6.899 1.00 0.19 H new ATOM 0 HB2 LEU A 65 2.976 -1.496 5.306 1.00 0.22 H new ATOM 0 HB3 LEU A 65 3.647 0.088 5.641 1.00 0.22 H new ATOM 0 HG LEU A 65 5.331 -2.119 4.392 1.00 0.29 H new ATOM 0 HD11 LEU A 65 4.798 -1.078 2.185 1.00 0.69 H new ATOM 0 HD12 LEU A 65 3.331 -1.721 2.961 1.00 0.69 H new ATOM 0 HD13 LEU A 65 3.659 0.028 2.989 1.00 0.69 H new ATOM 0 HD21 LEU A 65 6.679 -0.205 3.566 1.00 0.42 H new ATOM 0 HD22 LEU A 65 5.562 0.926 4.366 1.00 0.42 H new ATOM 0 HD23 LEU A 65 6.552 -0.186 5.341 1.00 0.42 H new ATOM 1058 N THR A 66 2.719 -1.778 8.414 1.00 0.21 N ATOM 1059 CA THR A 66 1.899 -1.366 9.583 1.00 0.25 C ATOM 1060 C THR A 66 2.607 -1.792 10.871 1.00 0.28 C ATOM 1061 O THR A 66 2.450 -1.183 11.910 1.00 0.31 O ATOM 1062 CB THR A 66 0.531 -2.045 9.497 1.00 0.29 C ATOM 1063 OG1 THR A 66 0.033 -1.933 8.171 1.00 0.43 O ATOM 1064 CG2 THR A 66 -0.435 -1.368 10.463 1.00 0.36 C ATOM 0 H THR A 66 2.448 -2.663 7.986 1.00 0.21 H new ATOM 0 HA THR A 66 1.769 -0.284 9.584 1.00 0.25 H new ATOM 0 HB THR A 66 0.629 -3.098 9.762 1.00 0.29 H new ATOM 0 HG1 THR A 66 0.532 -2.537 7.582 1.00 0.43 H new ATOM 0 HG21 THR A 66 -1.410 -1.852 10.402 1.00 0.36 H new ATOM 0 HG22 THR A 66 -0.051 -1.452 11.480 1.00 0.36 H new ATOM 0 HG23 THR A 66 -0.535 -0.315 10.199 1.00 0.36 H new ATOM 1072 N ASP A 67 3.401 -2.827 10.802 1.00 0.29 N ATOM 1073 CA ASP A 67 4.135 -3.280 12.014 1.00 0.34 C ATOM 1074 C ASP A 67 5.243 -2.272 12.299 1.00 0.32 C ATOM 1075 O ASP A 67 5.436 -1.837 13.416 1.00 0.35 O ATOM 1076 CB ASP A 67 4.742 -4.663 11.767 1.00 0.40 C ATOM 1077 CG ASP A 67 5.400 -5.166 13.053 1.00 1.30 C ATOM 1078 OD1 ASP A 67 4.683 -5.387 14.015 1.00 2.12 O ATOM 1079 OD2 ASP A 67 6.610 -5.322 13.054 1.00 1.94 O ATOM 0 H ASP A 67 3.571 -3.376 9.959 1.00 0.29 H new ATOM 0 HA ASP A 67 3.456 -3.347 12.864 1.00 0.34 H new ATOM 0 HB2 ASP A 67 3.968 -5.360 11.445 1.00 0.40 H new ATOM 0 HB3 ASP A 67 5.478 -4.611 10.965 1.00 0.40 H new ATOM 1084 N ILE A 68 5.960 -1.883 11.282 1.00 0.30 N ATOM 1085 CA ILE A 68 7.043 -0.883 11.467 1.00 0.29 C ATOM 1086 C ILE A 68 6.397 0.442 11.883 1.00 0.27 C ATOM 1087 O ILE A 68 6.765 1.044 12.870 1.00 0.31 O ATOM 1088 CB ILE A 68 7.800 -0.728 10.140 1.00 0.30 C ATOM 1089 CG1 ILE A 68 8.376 -2.092 9.733 1.00 0.34 C ATOM 1090 CG2 ILE A 68 8.941 0.281 10.301 1.00 0.33 C ATOM 1091 CD1 ILE A 68 8.825 -2.053 8.271 1.00 0.35 C ATOM 0 H ILE A 68 5.840 -2.218 10.326 1.00 0.30 H new ATOM 0 HA ILE A 68 7.749 -1.197 12.236 1.00 0.29 H new ATOM 0 HB ILE A 68 7.116 -0.368 9.372 1.00 0.30 H new ATOM 0 HG12 ILE A 68 9.220 -2.346 10.375 1.00 0.34 H new ATOM 0 HG13 ILE A 68 7.625 -2.870 9.871 1.00 0.34 H new ATOM 0 HG21 ILE A 68 9.472 0.384 9.355 1.00 0.33 H new ATOM 0 HG22 ILE A 68 8.533 1.248 10.595 1.00 0.33 H new ATOM 0 HG23 ILE A 68 9.631 -0.070 11.068 1.00 0.33 H new ATOM 0 HD11 ILE A 68 9.232 -3.024 7.989 1.00 0.35 H new ATOM 0 HD12 ILE A 68 7.972 -1.819 7.634 1.00 0.35 H new ATOM 0 HD13 ILE A 68 9.591 -1.288 8.146 1.00 0.35 H new ATOM 1103 N TYR A 69 5.428 0.891 11.133 1.00 0.26 N ATOM 1104 CA TYR A 69 4.742 2.170 11.474 1.00 0.26 C ATOM 1105 C TYR A 69 4.298 2.143 12.947 1.00 0.28 C ATOM 1106 O TYR A 69 4.347 3.142 13.637 1.00 0.34 O ATOM 1107 CB TYR A 69 3.519 2.336 10.558 1.00 0.29 C ATOM 1108 CG TYR A 69 2.543 3.343 11.135 1.00 0.27 C ATOM 1109 CD1 TYR A 69 1.642 2.946 12.131 1.00 1.22 C ATOM 1110 CD2 TYR A 69 2.536 4.664 10.673 1.00 1.25 C ATOM 1111 CE1 TYR A 69 0.735 3.869 12.665 1.00 1.23 C ATOM 1112 CE2 TYR A 69 1.628 5.588 11.206 1.00 1.28 C ATOM 1113 CZ TYR A 69 0.728 5.190 12.202 1.00 0.38 C ATOM 1114 OH TYR A 69 -0.168 6.100 12.727 1.00 0.47 O ATOM 0 H TYR A 69 5.080 0.425 10.295 1.00 0.26 H new ATOM 0 HA TYR A 69 5.424 3.008 11.329 1.00 0.26 H new ATOM 0 HB2 TYR A 69 3.842 2.662 9.569 1.00 0.29 H new ATOM 0 HB3 TYR A 69 3.022 1.374 10.430 1.00 0.29 H new ATOM 0 HD1 TYR A 69 1.647 1.927 12.488 1.00 1.22 H new ATOM 0 HD2 TYR A 69 3.231 4.971 9.905 1.00 1.25 H new ATOM 0 HE1 TYR A 69 0.041 3.562 13.434 1.00 1.23 H new ATOM 0 HE2 TYR A 69 1.622 6.607 10.849 1.00 1.28 H new ATOM 0 HH TYR A 69 -0.039 6.971 12.297 1.00 0.47 H new ATOM 1124 N LYS A 70 3.836 1.017 13.417 1.00 0.31 N ATOM 1125 CA LYS A 70 3.352 0.926 14.828 1.00 0.38 C ATOM 1126 C LYS A 70 4.514 0.897 15.832 1.00 0.38 C ATOM 1127 O LYS A 70 4.419 1.457 16.906 1.00 0.45 O ATOM 1128 CB LYS A 70 2.523 -0.350 14.983 1.00 0.50 C ATOM 1129 CG LYS A 70 1.773 -0.316 16.318 1.00 0.79 C ATOM 1130 CD LYS A 70 1.000 -1.627 16.516 1.00 0.88 C ATOM 1131 CE LYS A 70 -0.259 -1.643 15.639 1.00 1.50 C ATOM 1132 NZ LYS A 70 -1.160 -2.741 16.089 1.00 2.26 N ATOM 0 H LYS A 70 3.772 0.150 12.883 1.00 0.31 H new ATOM 0 HA LYS A 70 2.751 1.810 15.039 1.00 0.38 H new ATOM 0 HB2 LYS A 70 1.815 -0.438 14.159 1.00 0.50 H new ATOM 0 HB3 LYS A 70 3.172 -1.225 14.941 1.00 0.50 H new ATOM 0 HG2 LYS A 70 2.477 -0.172 17.137 1.00 0.79 H new ATOM 0 HG3 LYS A 70 1.084 0.529 16.337 1.00 0.79 H new ATOM 0 HD2 LYS A 70 1.638 -2.474 16.264 1.00 0.88 H new ATOM 0 HD3 LYS A 70 0.722 -1.738 17.564 1.00 0.88 H new ATOM 0 HE2 LYS A 70 -0.774 -0.685 15.705 1.00 1.50 H new ATOM 0 HE3 LYS A 70 0.014 -1.787 14.594 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -2.014 -2.754 15.496 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 -0.666 -3.652 16.004 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 -1.430 -2.584 17.081 1.00 2.26 H new ATOM 1146 N GLU A 71 5.599 0.237 15.514 1.00 0.40 N ATOM 1147 CA GLU A 71 6.746 0.163 16.480 1.00 0.52 C ATOM 1148 C GLU A 71 7.794 1.227 16.158 1.00 0.55 C ATOM 1149 O GLU A 71 8.543 1.650 17.016 1.00 1.13 O ATOM 1150 CB GLU A 71 7.404 -1.214 16.376 1.00 0.63 C ATOM 1151 CG GLU A 71 6.359 -2.302 16.618 1.00 0.99 C ATOM 1152 CD GLU A 71 5.857 -2.217 18.061 1.00 1.55 C ATOM 1153 OE1 GLU A 71 6.466 -2.838 18.917 1.00 2.27 O ATOM 1154 OE2 GLU A 71 4.872 -1.533 18.286 1.00 2.13 O ATOM 0 H GLU A 71 5.743 -0.253 14.631 1.00 0.40 H new ATOM 0 HA GLU A 71 6.362 0.332 17.486 1.00 0.52 H new ATOM 0 HB2 GLU A 71 7.853 -1.340 15.391 1.00 0.63 H new ATOM 0 HB3 GLU A 71 8.209 -1.300 17.106 1.00 0.63 H new ATOM 0 HG2 GLU A 71 5.527 -2.182 15.925 1.00 0.99 H new ATOM 0 HG3 GLU A 71 6.792 -3.285 16.430 1.00 0.99 H new ATOM 1161 N ALA A 72 7.868 1.652 14.930 1.00 0.59 N ATOM 1162 CA ALA A 72 8.885 2.676 14.557 1.00 0.57 C ATOM 1163 C ALA A 72 8.349 4.076 14.854 1.00 0.65 C ATOM 1164 O ALA A 72 7.332 4.244 15.498 1.00 1.23 O ATOM 1165 CB ALA A 72 9.191 2.559 13.062 1.00 0.60 C ATOM 0 H ALA A 72 7.269 1.336 14.167 1.00 0.59 H new ATOM 0 HA ALA A 72 9.793 2.510 15.137 1.00 0.57 H new ATOM 0 HB1 ALA A 72 9.934 3.306 12.783 1.00 0.60 H new ATOM 0 HB2 ALA A 72 9.578 1.563 12.847 1.00 0.60 H new ATOM 0 HB3 ALA A 72 8.278 2.725 12.490 1.00 0.60 H new ATOM 1171 N GLU A 73 9.023 5.080 14.368 1.00 0.71 N ATOM 1172 CA GLU A 73 8.571 6.479 14.582 1.00 0.77 C ATOM 1173 C GLU A 73 9.206 7.331 13.468 1.00 0.65 C ATOM 1174 O GLU A 73 10.114 6.866 12.816 1.00 1.06 O ATOM 1175 CB GLU A 73 9.041 6.966 15.958 1.00 1.08 C ATOM 1176 CG GLU A 73 8.153 8.120 16.421 1.00 1.79 C ATOM 1177 CD GLU A 73 6.790 7.573 16.849 1.00 2.15 C ATOM 1178 OE1 GLU A 73 6.756 6.781 17.777 1.00 2.60 O ATOM 1179 OE2 GLU A 73 5.803 7.951 16.240 1.00 2.62 O ATOM 0 H GLU A 73 9.881 4.987 13.824 1.00 0.71 H new ATOM 0 HA GLU A 73 7.484 6.554 14.550 1.00 0.77 H new ATOM 0 HB2 GLU A 73 8.999 6.149 16.678 1.00 1.08 H new ATOM 0 HB3 GLU A 73 10.080 7.291 15.905 1.00 1.08 H new ATOM 0 HG2 GLU A 73 8.624 8.645 17.252 1.00 1.79 H new ATOM 0 HG3 GLU A 73 8.030 8.844 15.616 1.00 1.79 H new ATOM 1186 N SER A 74 8.759 8.552 13.235 1.00 0.75 N ATOM 1187 CA SER A 74 9.367 9.373 12.140 1.00 0.62 C ATOM 1188 C SER A 74 9.179 8.642 10.805 1.00 0.55 C ATOM 1189 O SER A 74 8.569 9.151 9.886 1.00 0.63 O ATOM 1190 CB SER A 74 10.859 9.596 12.407 1.00 0.82 C ATOM 1191 OG SER A 74 11.334 10.638 11.564 1.00 1.55 O ATOM 0 H SER A 74 8.007 9.006 13.753 1.00 0.75 H new ATOM 0 HA SER A 74 8.875 10.345 12.101 1.00 0.62 H new ATOM 0 HB2 SER A 74 11.018 9.857 13.453 1.00 0.82 H new ATOM 0 HB3 SER A 74 11.416 8.678 12.219 1.00 0.82 H new ATOM 0 HG SER A 74 12.288 10.786 11.732 1.00 1.55 H new ATOM 1197 N ARG A 75 9.683 7.442 10.701 1.00 0.48 N ATOM 1198 CA ARG A 75 9.523 6.659 9.450 1.00 0.45 C ATOM 1199 C ARG A 75 8.036 6.540 9.129 1.00 0.42 C ATOM 1200 O ARG A 75 7.654 6.159 8.040 1.00 0.50 O ATOM 1201 CB ARG A 75 10.114 5.259 9.647 1.00 0.52 C ATOM 1202 CG ARG A 75 11.599 5.376 10.009 1.00 0.81 C ATOM 1203 CD ARG A 75 12.264 3.986 10.001 1.00 1.10 C ATOM 1204 NE ARG A 75 13.247 3.889 11.127 1.00 1.49 N ATOM 1205 CZ ARG A 75 14.105 4.849 11.363 1.00 2.08 C ATOM 1206 NH1 ARG A 75 14.222 5.852 10.538 1.00 2.63 N ATOM 1207 NH2 ARG A 75 14.883 4.779 12.408 1.00 2.72 N ATOM 0 H ARG A 75 10.204 6.969 11.440 1.00 0.48 H new ATOM 0 HA ARG A 75 10.041 7.159 8.631 1.00 0.45 H new ATOM 0 HB2 ARG A 75 9.577 4.734 10.437 1.00 0.52 H new ATOM 0 HB3 ARG A 75 9.996 4.672 8.736 1.00 0.52 H new ATOM 0 HG2 ARG A 75 12.103 6.031 9.298 1.00 0.81 H new ATOM 0 HG3 ARG A 75 11.705 5.832 10.994 1.00 0.81 H new ATOM 0 HD2 ARG A 75 11.506 3.209 10.100 1.00 1.10 H new ATOM 0 HD3 ARG A 75 12.769 3.819 9.049 1.00 1.10 H new ATOM 0 HE ARG A 75 13.248 3.060 11.721 1.00 1.49 H new ATOM 0 HH11 ARG A 75 13.642 5.893 9.700 1.00 2.63 H new ATOM 0 HH12 ARG A 75 14.893 6.595 10.731 1.00 2.63 H new ATOM 0 HH21 ARG A 75 14.821 3.979 13.037 1.00 2.72 H new ATOM 0 HH22 ARG A 75 15.553 5.525 12.596 1.00 2.72 H new ATOM 1221 N ARG A 76 7.187 6.852 10.072 1.00 0.41 N ATOM 1222 CA ARG A 76 5.725 6.744 9.821 1.00 0.47 C ATOM 1223 C ARG A 76 5.346 7.540 8.574 1.00 0.43 C ATOM 1224 O ARG A 76 4.606 7.069 7.741 1.00 0.45 O ATOM 1225 CB ARG A 76 4.951 7.290 11.031 1.00 0.57 C ATOM 1226 CG ARG A 76 5.393 8.730 11.337 1.00 1.08 C ATOM 1227 CD ARG A 76 4.823 9.188 12.694 1.00 1.14 C ATOM 1228 NE ARG A 76 4.440 10.635 12.618 1.00 1.76 N ATOM 1229 CZ ARG A 76 5.250 11.526 12.107 1.00 2.01 C ATOM 1230 NH1 ARG A 76 6.474 11.205 11.791 1.00 1.55 N ATOM 1231 NH2 ARG A 76 4.847 12.758 11.957 1.00 3.05 N ATOM 0 H ARG A 76 7.445 7.177 11.004 1.00 0.41 H new ATOM 0 HA ARG A 76 5.470 5.696 9.667 1.00 0.47 H new ATOM 0 HB2 ARG A 76 3.880 7.266 10.828 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.125 6.656 11.900 1.00 0.57 H new ATOM 0 HG2 ARG A 76 6.481 8.788 11.354 1.00 1.08 H new ATOM 0 HG3 ARG A 76 5.051 9.398 10.547 1.00 1.08 H new ATOM 0 HD2 ARG A 76 3.954 8.585 12.956 1.00 1.14 H new ATOM 0 HD3 ARG A 76 5.564 9.039 13.480 1.00 1.14 H new ATOM 0 HE ARG A 76 3.530 10.931 12.972 1.00 1.76 H new ATOM 0 HH11 ARG A 76 6.807 10.253 11.942 1.00 1.55 H new ATOM 0 HH12 ARG A 76 7.099 11.906 11.393 1.00 1.55 H new ATOM 0 HH21 ARG A 76 3.903 13.024 12.238 1.00 3.05 H new ATOM 0 HH22 ARG A 76 5.476 13.455 11.559 1.00 3.05 H new ATOM 1245 N ARG A 77 5.847 8.738 8.433 1.00 0.40 N ATOM 1246 CA ARG A 77 5.493 9.552 7.236 1.00 0.43 C ATOM 1247 C ARG A 77 5.742 8.733 5.971 1.00 0.39 C ATOM 1248 O ARG A 77 4.911 8.674 5.086 1.00 0.39 O ATOM 1249 CB ARG A 77 6.346 10.826 7.208 1.00 0.48 C ATOM 1250 CG ARG A 77 6.208 11.574 8.547 1.00 1.10 C ATOM 1251 CD ARG A 77 6.521 13.064 8.360 1.00 1.24 C ATOM 1252 NE ARG A 77 7.671 13.237 7.413 1.00 1.80 N ATOM 1253 CZ ARG A 77 8.821 12.653 7.619 1.00 2.30 C ATOM 1254 NH1 ARG A 77 9.058 12.034 8.742 1.00 2.43 N ATOM 1255 NH2 ARG A 77 9.758 12.736 6.715 1.00 3.22 N ATOM 0 H ARG A 77 6.483 9.186 9.092 1.00 0.40 H new ATOM 0 HA ARG A 77 4.440 9.829 7.284 1.00 0.43 H new ATOM 0 HB2 ARG A 77 7.391 10.572 7.029 1.00 0.48 H new ATOM 0 HB3 ARG A 77 6.029 11.469 6.387 1.00 0.48 H new ATOM 0 HG2 ARG A 77 5.197 11.454 8.936 1.00 1.10 H new ATOM 0 HG3 ARG A 77 6.886 11.143 9.284 1.00 1.10 H new ATOM 0 HD2 ARG A 77 5.643 13.582 7.975 1.00 1.24 H new ATOM 0 HD3 ARG A 77 6.762 13.516 9.322 1.00 1.24 H new ATOM 0 HE ARG A 77 7.552 13.825 6.588 1.00 1.80 H new ATOM 0 HH11 ARG A 77 8.342 12.003 9.468 1.00 2.43 H new ATOM 0 HH12 ARG A 77 9.959 11.581 8.894 1.00 2.43 H new ATOM 0 HH21 ARG A 77 9.590 13.255 5.853 1.00 3.22 H new ATOM 0 HH22 ARG A 77 10.658 12.282 6.870 1.00 3.22 H new ATOM 1269 N GLU A 78 6.870 8.090 5.879 1.00 0.36 N ATOM 1270 CA GLU A 78 7.150 7.270 4.672 1.00 0.36 C ATOM 1271 C GLU A 78 6.134 6.129 4.595 1.00 0.30 C ATOM 1272 O GLU A 78 5.661 5.776 3.534 1.00 0.32 O ATOM 1273 CB GLU A 78 8.563 6.689 4.765 1.00 0.40 C ATOM 1274 CG GLU A 78 9.578 7.828 4.875 1.00 0.91 C ATOM 1275 CD GLU A 78 10.985 7.244 5.016 1.00 1.56 C ATOM 1276 OE1 GLU A 78 11.342 6.407 4.204 1.00 2.33 O ATOM 1277 OE2 GLU A 78 11.682 7.645 5.934 1.00 2.13 O ATOM 0 H GLU A 78 7.607 8.097 6.584 1.00 0.36 H new ATOM 0 HA GLU A 78 7.074 7.892 3.780 1.00 0.36 H new ATOM 0 HB2 GLU A 78 8.641 6.033 5.632 1.00 0.40 H new ATOM 0 HB3 GLU A 78 8.776 6.082 3.885 1.00 0.40 H new ATOM 0 HG2 GLU A 78 9.524 8.465 3.992 1.00 0.91 H new ATOM 0 HG3 GLU A 78 9.345 8.455 5.735 1.00 0.91 H new ATOM 1284 N CYS A 79 5.784 5.555 5.714 1.00 0.27 N ATOM 1285 CA CYS A 79 4.796 4.439 5.705 1.00 0.25 C ATOM 1286 C CYS A 79 3.472 4.921 5.105 1.00 0.23 C ATOM 1287 O CYS A 79 2.871 4.246 4.293 1.00 0.24 O ATOM 1288 CB CYS A 79 4.563 3.955 7.137 1.00 0.29 C ATOM 1289 SG CYS A 79 6.148 3.492 7.881 1.00 1.19 S ATOM 0 H CYS A 79 6.140 5.811 6.635 1.00 0.27 H new ATOM 0 HA CYS A 79 5.185 3.619 5.101 1.00 0.25 H new ATOM 0 HB2 CYS A 79 4.088 4.740 7.725 1.00 0.29 H new ATOM 0 HB3 CYS A 79 3.885 3.102 7.138 1.00 0.29 H new ATOM 0 HG CYS A 79 6.926 4.532 7.927 1.00 1.19 H new ATOM 1295 N LEU A 80 3.010 6.079 5.493 1.00 0.23 N ATOM 1296 CA LEU A 80 1.723 6.583 4.932 1.00 0.23 C ATOM 1297 C LEU A 80 1.808 6.577 3.404 1.00 0.21 C ATOM 1298 O LEU A 80 0.859 6.249 2.721 1.00 0.21 O ATOM 1299 CB LEU A 80 1.461 8.015 5.417 1.00 0.26 C ATOM 1300 CG LEU A 80 1.568 8.088 6.944 1.00 0.27 C ATOM 1301 CD1 LEU A 80 1.239 9.509 7.409 1.00 0.34 C ATOM 1302 CD2 LEU A 80 0.591 7.096 7.591 1.00 0.42 C ATOM 0 H LEU A 80 3.464 6.694 6.169 1.00 0.23 H new ATOM 0 HA LEU A 80 0.909 5.939 5.265 1.00 0.23 H new ATOM 0 HB2 LEU A 80 2.179 8.697 4.962 1.00 0.26 H new ATOM 0 HB3 LEU A 80 0.470 8.338 5.099 1.00 0.26 H new ATOM 0 HG LEU A 80 2.584 7.829 7.243 1.00 0.27 H new ATOM 0 HD11 LEU A 80 1.315 9.563 8.495 1.00 0.34 H new ATOM 0 HD12 LEU A 80 1.943 10.211 6.961 1.00 0.34 H new ATOM 0 HD13 LEU A 80 0.225 9.767 7.103 1.00 0.34 H new ATOM 0 HD21 LEU A 80 0.676 7.157 8.676 1.00 0.42 H new ATOM 0 HD22 LEU A 80 -0.428 7.342 7.292 1.00 0.42 H new ATOM 0 HD23 LEU A 80 0.831 6.084 7.264 1.00 0.42 H new ATOM 1314 N TYR A 81 2.937 6.947 2.862 1.00 0.22 N ATOM 1315 CA TYR A 81 3.079 6.972 1.377 1.00 0.23 C ATOM 1316 C TYR A 81 3.170 5.542 0.833 1.00 0.22 C ATOM 1317 O TYR A 81 2.433 5.160 -0.055 1.00 0.22 O ATOM 1318 CB TYR A 81 4.349 7.740 1.004 1.00 0.26 C ATOM 1319 CG TYR A 81 4.436 7.873 -0.497 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.818 8.951 -1.142 1.00 1.05 C ATOM 1321 CD2 TYR A 81 5.136 6.918 -1.245 1.00 1.26 C ATOM 1322 CE1 TYR A 81 3.899 9.074 -2.534 1.00 1.04 C ATOM 1323 CE2 TYR A 81 5.217 7.041 -2.637 1.00 1.31 C ATOM 1324 CZ TYR A 81 4.599 8.119 -3.282 1.00 0.46 C ATOM 1325 OH TYR A 81 4.679 8.240 -4.654 1.00 0.55 O ATOM 0 H TYR A 81 3.766 7.233 3.382 1.00 0.22 H new ATOM 0 HA TYR A 81 2.208 7.463 0.942 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.339 8.727 1.467 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.227 7.218 1.385 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.279 9.688 -0.565 1.00 1.05 H new ATOM 0 HD2 TYR A 81 5.613 6.087 -0.748 1.00 1.26 H new ATOM 0 HE1 TYR A 81 3.422 9.905 -3.031 1.00 1.04 H new ATOM 0 HE2 TYR A 81 5.756 6.304 -3.214 1.00 1.31 H new ATOM 0 HH TYR A 81 5.534 7.876 -4.965 1.00 0.55 H new ATOM 1335 N TYR A 82 4.074 4.752 1.346 1.00 0.23 N ATOM 1336 CA TYR A 82 4.217 3.352 0.844 1.00 0.23 C ATOM 1337 C TYR A 82 2.907 2.582 1.050 1.00 0.22 C ATOM 1338 O TYR A 82 2.533 1.761 0.235 1.00 0.24 O ATOM 1339 CB TYR A 82 5.357 2.652 1.607 1.00 0.25 C ATOM 1340 CG TYR A 82 6.686 2.947 0.945 1.00 0.25 C ATOM 1341 CD1 TYR A 82 7.106 2.177 -0.144 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.497 3.983 1.421 1.00 1.13 C ATOM 1343 CE1 TYR A 82 8.335 2.442 -0.758 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.726 4.250 0.808 1.00 1.12 C ATOM 1345 CZ TYR A 82 9.146 3.479 -0.282 1.00 0.31 C ATOM 1346 OH TYR A 82 10.358 3.741 -0.886 1.00 0.36 O ATOM 0 H TYR A 82 4.720 5.014 2.091 1.00 0.23 H new ATOM 0 HA TYR A 82 4.448 3.374 -0.221 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.374 2.992 2.642 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.184 1.576 1.628 1.00 0.25 H new ATOM 0 HD1 TYR A 82 6.481 1.377 -0.512 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.174 4.577 2.263 1.00 1.13 H new ATOM 0 HE1 TYR A 82 8.658 1.847 -1.599 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.350 5.051 1.176 1.00 1.12 H new ATOM 0 HH TYR A 82 10.794 4.493 -0.433 1.00 0.36 H new ATOM 1356 N LEU A 83 2.199 2.836 2.116 1.00 0.21 N ATOM 1357 CA LEU A 83 0.918 2.108 2.334 1.00 0.20 C ATOM 1358 C LEU A 83 -0.058 2.485 1.225 1.00 0.20 C ATOM 1359 O LEU A 83 -0.785 1.652 0.722 1.00 0.25 O ATOM 1360 CB LEU A 83 0.336 2.480 3.705 1.00 0.20 C ATOM 1361 CG LEU A 83 1.138 1.782 4.828 1.00 0.22 C ATOM 1362 CD1 LEU A 83 0.980 2.559 6.139 1.00 0.24 C ATOM 1363 CD2 LEU A 83 0.627 0.349 5.040 1.00 0.25 C ATOM 0 H LEU A 83 2.449 3.510 2.840 1.00 0.21 H new ATOM 0 HA LEU A 83 1.093 1.032 2.313 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.369 3.561 3.842 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.712 2.184 3.757 1.00 0.20 H new ATOM 0 HG LEU A 83 2.187 1.754 4.534 1.00 0.22 H new ATOM 0 HD11 LEU A 83 1.547 2.063 6.927 1.00 0.24 H new ATOM 0 HD12 LEU A 83 1.354 3.574 6.007 1.00 0.24 H new ATOM 0 HD13 LEU A 83 -0.073 2.593 6.417 1.00 0.24 H new ATOM 0 HD21 LEU A 83 1.202 -0.129 5.834 1.00 0.25 H new ATOM 0 HD22 LEU A 83 -0.426 0.376 5.320 1.00 0.25 H new ATOM 0 HD23 LEU A 83 0.742 -0.219 4.117 1.00 0.25 H new ATOM 1375 N THR A 84 -0.079 3.725 0.817 1.00 0.19 N ATOM 1376 CA THR A 84 -1.002 4.130 -0.279 1.00 0.19 C ATOM 1377 C THR A 84 -0.704 3.282 -1.518 1.00 0.22 C ATOM 1378 O THR A 84 -1.589 2.923 -2.269 1.00 0.24 O ATOM 1379 CB THR A 84 -0.755 5.610 -0.596 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.763 6.357 0.613 1.00 0.22 O ATOM 1381 CG2 THR A 84 -1.844 6.140 -1.528 1.00 0.18 C ATOM 0 H THR A 84 0.502 4.473 1.195 1.00 0.19 H new ATOM 0 HA THR A 84 -2.040 3.982 0.019 1.00 0.19 H new ATOM 0 HB THR A 84 0.212 5.712 -1.088 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.112 6.283 1.049 1.00 0.22 H new ATOM 0 HG21 THR A 84 -1.657 7.192 -1.745 1.00 0.18 H new ATOM 0 HG22 THR A 84 -1.836 5.571 -2.457 1.00 0.18 H new ATOM 0 HG23 THR A 84 -2.817 6.036 -1.047 1.00 0.18 H new ATOM 1389 N ILE A 85 0.544 2.967 -1.732 1.00 0.23 N ATOM 1390 CA ILE A 85 0.922 2.146 -2.918 1.00 0.27 C ATOM 1391 C ILE A 85 0.529 0.687 -2.678 1.00 0.29 C ATOM 1392 O ILE A 85 -0.154 0.074 -3.479 1.00 0.31 O ATOM 1393 CB ILE A 85 2.442 2.219 -3.137 1.00 0.29 C ATOM 1394 CG1 ILE A 85 2.930 3.684 -3.140 1.00 0.31 C ATOM 1395 CG2 ILE A 85 2.803 1.539 -4.460 1.00 0.32 C ATOM 1396 CD1 ILE A 85 2.515 4.411 -4.426 1.00 0.61 C ATOM 0 H ILE A 85 1.322 3.244 -1.134 1.00 0.23 H new ATOM 0 HA ILE A 85 0.403 2.531 -3.796 1.00 0.27 H new ATOM 0 HB ILE A 85 2.937 1.701 -2.316 1.00 0.29 H new ATOM 0 HG12 ILE A 85 2.520 4.207 -2.276 1.00 0.31 H new ATOM 0 HG13 ILE A 85 4.015 3.708 -3.041 1.00 0.31 H new ATOM 0 HG21 ILE A 85 3.881 1.592 -4.614 1.00 0.32 H new ATOM 0 HG22 ILE A 85 2.491 0.495 -4.429 1.00 0.32 H new ATOM 0 HG23 ILE A 85 2.294 2.046 -5.280 1.00 0.32 H new ATOM 0 HD11 ILE A 85 2.875 5.439 -4.395 1.00 0.61 H new ATOM 0 HD12 ILE A 85 2.947 3.902 -5.287 1.00 0.61 H new ATOM 0 HD13 ILE A 85 1.428 4.409 -4.511 1.00 0.61 H new ATOM 1408 N GLY A 86 0.949 0.129 -1.578 1.00 0.30 N ATOM 1409 CA GLY A 86 0.597 -1.285 -1.287 1.00 0.33 C ATOM 1410 C GLY A 86 -0.917 -1.401 -1.139 1.00 0.33 C ATOM 1411 O GLY A 86 -1.503 -2.426 -1.425 1.00 0.39 O ATOM 0 H GLY A 86 1.520 0.591 -0.870 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.947 -1.933 -2.091 1.00 0.33 H new ATOM 0 HA3 GLY A 86 1.091 -1.615 -0.373 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.559 -0.355 -0.693 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.032 -0.407 -0.526 1.00 0.30 C ATOM 1417 C CYS A 87 -3.710 -0.262 -1.893 1.00 0.35 C ATOM 1418 O CYS A 87 -4.670 -0.942 -2.194 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.477 0.729 0.396 1.00 0.29 C ATOM 1420 SG CYS A 87 -2.860 0.421 2.070 1.00 1.29 S ATOM 0 H CYS A 87 -1.123 0.531 -0.438 1.00 0.29 H new ATOM 0 HA CYS A 87 -3.317 -1.363 -0.086 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.098 1.682 0.026 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -4.565 0.800 0.405 1.00 0.29 H new ATOM 0 HG CYS A 87 -1.606 0.756 2.139 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.235 0.637 -2.716 1.00 0.33 N ATOM 1427 CA TYR A 88 -3.867 0.847 -4.052 1.00 0.40 C ATOM 1428 C TYR A 88 -3.950 -0.469 -4.833 1.00 0.43 C ATOM 1429 O TYR A 88 -4.829 -0.655 -5.651 1.00 0.52 O ATOM 1430 CB TYR A 88 -3.028 1.847 -4.849 1.00 0.46 C ATOM 1431 CG TYR A 88 -3.650 2.055 -6.209 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -4.720 2.945 -6.359 1.00 1.24 C ATOM 1433 CD2 TYR A 88 -3.158 1.359 -7.320 1.00 1.37 C ATOM 1434 CE1 TYR A 88 -5.299 3.140 -7.619 1.00 1.28 C ATOM 1435 CE2 TYR A 88 -3.737 1.554 -8.580 1.00 1.37 C ATOM 1436 CZ TYR A 88 -4.807 2.444 -8.730 1.00 0.59 C ATOM 1437 OH TYR A 88 -5.376 2.636 -9.972 1.00 0.66 O ATOM 0 H TYR A 88 -2.434 1.237 -2.519 1.00 0.33 H new ATOM 0 HA TYR A 88 -4.877 1.227 -3.903 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -2.969 2.796 -4.315 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -2.008 1.478 -4.956 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -5.099 3.482 -5.502 1.00 1.24 H new ATOM 0 HD2 TYR A 88 -2.332 0.672 -7.205 1.00 1.37 H new ATOM 0 HE1 TYR A 88 -6.125 3.827 -7.734 1.00 1.28 H new ATOM 0 HE2 TYR A 88 -3.358 1.017 -9.437 1.00 1.37 H new ATOM 0 HH TYR A 88 -4.915 2.078 -10.633 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.049 -1.382 -4.598 1.00 0.43 N ATOM 1448 CA LYS A 89 -3.097 -2.675 -5.348 1.00 0.51 C ATOM 1449 C LYS A 89 -4.173 -3.586 -4.755 1.00 0.36 C ATOM 1450 O LYS A 89 -4.673 -4.480 -5.410 1.00 0.37 O ATOM 1451 CB LYS A 89 -1.745 -3.374 -5.259 1.00 0.70 C ATOM 1452 CG LYS A 89 -0.681 -2.521 -5.945 1.00 1.00 C ATOM 1453 CD LYS A 89 0.615 -3.323 -6.050 1.00 1.24 C ATOM 1454 CE LYS A 89 1.724 -2.426 -6.591 1.00 1.56 C ATOM 1455 NZ LYS A 89 2.952 -3.238 -6.816 1.00 2.05 N ATOM 0 H LYS A 89 -2.287 -1.294 -3.926 1.00 0.43 H new ATOM 0 HA LYS A 89 -3.334 -2.466 -6.391 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -1.477 -3.538 -4.215 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -1.800 -4.355 -5.732 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -1.020 -2.224 -6.937 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -0.511 -1.605 -5.379 1.00 1.00 H new ATOM 0 HD2 LYS A 89 0.894 -3.714 -5.072 1.00 1.24 H new ATOM 0 HD3 LYS A 89 0.473 -4.181 -6.708 1.00 1.24 H new ATOM 0 HE2 LYS A 89 1.407 -1.960 -7.524 1.00 1.56 H new ATOM 0 HE3 LYS A 89 1.931 -1.621 -5.887 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 3.781 -2.720 -6.460 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 2.867 -4.144 -6.312 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 3.068 -3.418 -7.834 1.00 2.05 H new ATOM 1469 N LEU A 90 -4.547 -3.355 -3.526 1.00 0.32 N ATOM 1470 CA LEU A 90 -5.606 -4.188 -2.880 1.00 0.47 C ATOM 1471 C LEU A 90 -6.917 -3.406 -2.903 1.00 0.56 C ATOM 1472 O LEU A 90 -7.826 -3.688 -2.149 1.00 0.89 O ATOM 1473 CB LEU A 90 -5.232 -4.469 -1.417 1.00 0.55 C ATOM 1474 CG LEU A 90 -3.862 -5.161 -1.330 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -3.365 -5.118 0.118 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -3.974 -6.624 -1.778 1.00 0.56 C ATOM 0 H LEU A 90 -4.162 -2.618 -2.935 1.00 0.32 H new ATOM 0 HA LEU A 90 -5.705 -5.131 -3.417 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -5.209 -3.535 -0.856 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -5.993 -5.099 -0.956 1.00 0.55 H new ATOM 0 HG LEU A 90 -3.162 -4.641 -1.983 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -2.394 -5.608 0.184 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -3.271 -4.081 0.440 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -4.076 -5.635 0.762 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -2.996 -7.101 -1.711 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -4.679 -7.149 -1.133 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -4.327 -6.663 -2.809 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.012 -2.403 -3.741 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.241 -1.557 -3.799 1.00 0.91 C ATOM 1490 C GLY A 91 -8.831 -1.325 -2.410 1.00 0.69 C ATOM 1491 O GLY A 91 -9.995 -1.004 -2.271 1.00 0.69 O ATOM 0 H GLY A 91 -6.278 -2.132 -4.396 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.001 -0.598 -4.258 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -8.984 -2.038 -4.435 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.033 -1.398 -1.387 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.555 -1.082 -0.032 1.00 0.42 C ATOM 1497 C GLU A 92 -8.465 0.438 0.093 1.00 0.34 C ATOM 1498 O GLU A 92 -7.984 0.972 1.073 1.00 0.39 O ATOM 1499 CB GLU A 92 -7.676 -1.742 1.035 1.00 0.44 C ATOM 1500 CG GLU A 92 -8.018 -3.228 1.137 1.00 0.55 C ATOM 1501 CD GLU A 92 -7.127 -3.884 2.193 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -6.706 -3.185 3.100 1.00 2.18 O ATOM 1503 OE2 GLU A 92 -6.879 -5.072 2.075 1.00 2.06 O ATOM 0 H GLU A 92 -7.048 -1.661 -1.428 1.00 0.54 H new ATOM 0 HA GLU A 92 -9.573 -1.446 0.106 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -6.623 -1.618 0.781 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -7.830 -1.256 1.999 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -9.068 -3.353 1.403 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -7.873 -3.713 0.171 1.00 0.55 H new ATOM 1510 N TYR A 93 -8.868 1.132 -0.944 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.752 2.619 -0.956 1.00 0.31 C ATOM 1512 C TYR A 93 -9.202 3.222 0.372 1.00 0.25 C ATOM 1513 O TYR A 93 -8.928 4.376 0.641 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.581 3.231 -2.089 1.00 0.41 C ATOM 1515 CG TYR A 93 -9.388 2.466 -3.379 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -8.234 2.664 -4.147 1.00 1.28 C ATOM 1517 CD2 TYR A 93 -10.378 1.578 -3.821 1.00 1.42 C ATOM 1518 CE1 TYR A 93 -8.069 1.970 -5.353 1.00 1.35 C ATOM 1519 CE2 TYR A 93 -10.214 0.889 -5.027 1.00 1.57 C ATOM 1520 CZ TYR A 93 -9.060 1.084 -5.794 1.00 0.95 C ATOM 1521 OH TYR A 93 -8.899 0.403 -6.983 1.00 1.19 O ATOM 0 H TYR A 93 -9.275 0.727 -1.787 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.699 2.852 -1.115 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.636 3.227 -1.815 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.293 4.272 -2.233 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -7.472 3.351 -3.810 1.00 1.28 H new ATOM 0 HD2 TYR A 93 -11.269 1.426 -3.230 1.00 1.42 H new ATOM 0 HE1 TYR A 93 -7.177 2.118 -5.943 1.00 1.35 H new ATOM 0 HE2 TYR A 93 -10.979 0.206 -5.367 1.00 1.57 H new ATOM 0 HH TYR A 93 -9.678 -0.171 -7.140 1.00 1.19 H new ATOM 1531 N SER A 94 -9.856 2.492 1.229 1.00 0.24 N ATOM 1532 CA SER A 94 -10.254 3.093 2.530 1.00 0.28 C ATOM 1533 C SER A 94 -8.987 3.375 3.335 1.00 0.29 C ATOM 1534 O SER A 94 -8.861 4.391 3.990 1.00 0.39 O ATOM 1535 CB SER A 94 -11.137 2.102 3.289 1.00 0.30 C ATOM 1536 OG SER A 94 -10.394 0.918 3.551 1.00 1.12 O ATOM 0 H SER A 94 -10.129 1.519 1.089 1.00 0.24 H new ATOM 0 HA SER A 94 -10.808 4.018 2.371 1.00 0.28 H new ATOM 0 HB2 SER A 94 -11.480 2.545 4.224 1.00 0.30 H new ATOM 0 HB3 SER A 94 -12.025 1.866 2.703 1.00 0.30 H new ATOM 0 HG SER A 94 -10.956 0.280 4.039 1.00 1.12 H new ATOM 1542 N MET A 95 -8.040 2.479 3.275 1.00 0.27 N ATOM 1543 CA MET A 95 -6.764 2.678 4.014 1.00 0.36 C ATOM 1544 C MET A 95 -5.902 3.681 3.255 1.00 0.26 C ATOM 1545 O MET A 95 -5.357 4.607 3.822 1.00 0.26 O ATOM 1546 CB MET A 95 -6.016 1.349 4.104 1.00 0.48 C ATOM 1547 CG MET A 95 -6.761 0.402 5.040 1.00 0.81 C ATOM 1548 SD MET A 95 -6.593 0.987 6.743 1.00 1.25 S ATOM 1549 CE MET A 95 -7.609 -0.297 7.506 1.00 0.83 C ATOM 0 H MET A 95 -8.097 1.612 2.741 1.00 0.27 H new ATOM 0 HA MET A 95 -6.976 3.049 5.017 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.928 0.902 3.114 1.00 0.48 H new ATOM 0 HB3 MET A 95 -5.003 1.515 4.470 1.00 0.48 H new ATOM 0 HG2 MET A 95 -7.814 0.353 4.763 1.00 0.81 H new ATOM 0 HG3 MET A 95 -6.360 -0.607 4.949 1.00 0.81 H new ATOM 0 HE1 MET A 95 -7.650 -0.136 8.583 1.00 0.83 H new ATOM 0 HE2 MET A 95 -8.617 -0.256 7.094 1.00 0.83 H new ATOM 0 HE3 MET A 95 -7.173 -1.275 7.302 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.777 3.501 1.970 1.00 0.23 N ATOM 1560 CA ALA A 96 -4.954 4.438 1.166 1.00 0.20 C ATOM 1561 C ALA A 96 -5.508 5.857 1.335 1.00 0.18 C ATOM 1562 O ALA A 96 -4.772 6.803 1.540 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.011 4.022 -0.310 1.00 0.23 C ATOM 0 H ALA A 96 -6.211 2.743 1.443 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.918 4.413 1.503 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.408 4.708 -0.905 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.622 3.009 -0.418 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.044 4.053 -0.657 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.802 6.010 1.238 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.414 7.363 1.375 1.00 0.21 C ATOM 1571 C LYS A 97 -7.121 7.959 2.750 1.00 0.21 C ATOM 1572 O LYS A 97 -6.753 9.111 2.860 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.932 7.263 1.175 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.592 8.658 1.335 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.228 8.803 2.731 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.618 8.157 2.741 1.00 1.07 C ATOM 1577 NZ LYS A 97 -12.076 7.983 4.148 1.00 2.10 N ATOM 0 H LYS A 97 -7.464 5.252 1.069 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.981 8.014 0.616 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.149 6.862 0.185 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.356 6.568 1.900 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.845 9.438 1.187 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -10.353 8.796 0.567 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -9.593 8.331 3.480 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -10.305 9.857 2.997 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -12.324 8.780 2.192 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -11.585 7.192 2.236 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -13.019 7.545 4.154 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -11.407 7.372 4.658 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -12.122 8.911 4.615 1.00 2.10 H new ATOM 1591 N ARG A 98 -7.299 7.224 3.812 1.00 0.22 N ATOM 1592 CA ARG A 98 -7.045 7.807 5.163 1.00 0.25 C ATOM 1593 C ARG A 98 -5.574 8.205 5.331 1.00 0.20 C ATOM 1594 O ARG A 98 -5.269 9.252 5.867 1.00 0.21 O ATOM 1595 CB ARG A 98 -7.402 6.760 6.225 1.00 0.33 C ATOM 1596 CG ARG A 98 -8.915 6.519 6.222 1.00 1.18 C ATOM 1597 CD ARG A 98 -9.237 5.256 7.025 1.00 1.28 C ATOM 1598 NE ARG A 98 -10.710 5.023 7.011 1.00 1.90 N ATOM 1599 CZ ARG A 98 -11.194 3.866 7.376 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -10.390 2.911 7.756 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -12.484 3.664 7.361 1.00 3.20 N ATOM 0 H ARG A 98 -7.607 6.252 3.806 1.00 0.22 H new ATOM 0 HA ARG A 98 -7.657 8.702 5.276 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -6.875 5.828 6.022 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -7.080 7.101 7.209 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -9.431 7.377 6.653 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -9.274 6.412 5.198 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -8.718 4.398 6.598 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -8.884 5.364 8.051 1.00 1.28 H new ATOM 0 HE ARG A 98 -11.341 5.768 6.716 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -9.382 3.068 7.768 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -10.769 2.008 8.041 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -13.114 4.410 7.064 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -12.862 2.761 7.646 1.00 3.20 H new ATOM 1615 N TYR A 99 -4.658 7.375 4.911 1.00 0.21 N ATOM 1616 CA TYR A 99 -3.216 7.719 5.093 1.00 0.22 C ATOM 1617 C TYR A 99 -2.785 8.812 4.108 1.00 0.19 C ATOM 1618 O TYR A 99 -2.170 9.787 4.492 1.00 0.21 O ATOM 1619 CB TYR A 99 -2.347 6.471 4.877 1.00 0.27 C ATOM 1620 CG TYR A 99 -2.675 5.385 5.898 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -2.728 5.675 7.277 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.912 4.071 5.462 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -3.020 4.660 8.197 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -3.201 3.062 6.389 1.00 1.34 C ATOM 1625 CZ TYR A 99 -3.256 3.357 7.753 1.00 0.40 C ATOM 1626 OH TYR A 99 -3.542 2.360 8.664 1.00 0.47 O ATOM 0 H TYR A 99 -4.841 6.482 4.454 1.00 0.21 H new ATOM 0 HA TYR A 99 -3.083 8.090 6.109 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.504 6.086 3.870 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -1.294 6.740 4.955 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -2.543 6.681 7.624 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -2.871 3.838 4.408 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -3.063 4.886 9.252 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -3.382 2.053 6.048 1.00 1.34 H new ATOM 0 HH TYR A 99 -3.681 1.514 8.190 1.00 0.47 H new ATOM 1636 N VAL A 100 -3.080 8.666 2.847 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.656 9.710 1.871 1.00 0.19 C ATOM 1638 C VAL A 100 -3.245 11.062 2.289 1.00 0.21 C ATOM 1639 O VAL A 100 -2.624 12.095 2.135 1.00 0.22 O ATOM 1640 CB VAL A 100 -3.130 9.326 0.459 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.622 9.639 0.291 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.323 10.109 -0.582 1.00 0.20 C ATOM 0 H VAL A 100 -3.591 7.877 2.452 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.569 9.786 1.861 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.977 8.256 0.316 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.941 9.361 -0.714 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -5.197 9.073 1.024 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.789 10.705 0.443 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.659 9.837 -1.583 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.470 11.178 -0.428 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.265 9.870 -0.477 1.00 0.20 H new ATOM 1652 N ASP A 101 -4.435 11.060 2.824 1.00 0.23 N ATOM 1653 CA ASP A 101 -5.057 12.342 3.259 1.00 0.27 C ATOM 1654 C ASP A 101 -4.206 12.957 4.371 1.00 0.26 C ATOM 1655 O ASP A 101 -3.845 14.116 4.322 1.00 0.29 O ATOM 1656 CB ASP A 101 -6.469 12.072 3.784 1.00 0.30 C ATOM 1657 CG ASP A 101 -7.145 13.398 4.138 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -7.468 14.139 3.224 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -7.328 13.651 5.318 1.00 1.79 O ATOM 0 H ASP A 101 -5.003 10.227 2.979 1.00 0.23 H new ATOM 0 HA ASP A 101 -5.113 13.030 2.415 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -7.053 11.544 3.031 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -6.425 11.428 4.663 1.00 0.30 H new ATOM 1664 N THR A 102 -3.886 12.187 5.373 1.00 0.25 N ATOM 1665 CA THR A 102 -3.059 12.718 6.494 1.00 0.26 C ATOM 1666 C THR A 102 -1.744 13.280 5.947 1.00 0.26 C ATOM 1667 O THR A 102 -1.346 14.380 6.275 1.00 0.27 O ATOM 1668 CB THR A 102 -2.757 11.582 7.475 1.00 0.27 C ATOM 1669 OG1 THR A 102 -3.977 11.007 7.920 1.00 0.32 O ATOM 1670 CG2 THR A 102 -1.980 12.129 8.673 1.00 0.29 C ATOM 0 H THR A 102 -4.162 11.209 5.465 1.00 0.25 H new ATOM 0 HA THR A 102 -3.604 13.513 7.003 1.00 0.26 H new ATOM 0 HB THR A 102 -2.157 10.821 6.976 1.00 0.27 H new ATOM 0 HG1 THR A 102 -4.304 10.373 7.248 1.00 0.32 H new ATOM 0 HG21 THR A 102 -1.767 11.318 9.369 1.00 0.29 H new ATOM 0 HG22 THR A 102 -1.043 12.568 8.329 1.00 0.29 H new ATOM 0 HG23 THR A 102 -2.575 12.891 9.175 1.00 0.29 H new ATOM 1678 N LEU A 103 -1.060 12.531 5.127 1.00 0.25 N ATOM 1679 CA LEU A 103 0.234 13.024 4.576 1.00 0.27 C ATOM 1680 C LEU A 103 -0.004 14.272 3.723 1.00 0.29 C ATOM 1681 O LEU A 103 0.779 15.201 3.741 1.00 0.31 O ATOM 1682 CB LEU A 103 0.874 11.929 3.713 1.00 0.29 C ATOM 1683 CG LEU A 103 2.333 12.301 3.373 1.00 0.34 C ATOM 1684 CD1 LEU A 103 3.268 11.933 4.533 1.00 0.36 C ATOM 1685 CD2 LEU A 103 2.778 11.538 2.121 1.00 0.41 C ATOM 0 H LEU A 103 -1.340 11.601 4.815 1.00 0.25 H new ATOM 0 HA LEU A 103 0.901 13.276 5.401 1.00 0.27 H new ATOM 0 HB2 LEU A 103 0.848 10.977 4.243 1.00 0.29 H new ATOM 0 HB3 LEU A 103 0.301 11.798 2.795 1.00 0.29 H new ATOM 0 HG LEU A 103 2.383 13.376 3.198 1.00 0.34 H new ATOM 0 HD11 LEU A 103 4.292 12.203 4.275 1.00 0.36 H new ATOM 0 HD12 LEU A 103 2.966 12.474 5.430 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.211 10.861 4.720 1.00 0.36 H new ATOM 0 HD21 LEU A 103 3.808 11.801 1.882 1.00 0.41 H new ATOM 0 HD22 LEU A 103 2.711 10.466 2.305 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.132 11.803 1.284 1.00 0.41 H new ATOM 1697 N PHE A 104 -1.070 14.306 2.970 1.00 0.29 N ATOM 1698 CA PHE A 104 -1.334 15.501 2.120 1.00 0.32 C ATOM 1699 C PHE A 104 -1.655 16.701 3.011 1.00 0.37 C ATOM 1700 O PHE A 104 -1.357 17.831 2.677 1.00 0.41 O ATOM 1701 CB PHE A 104 -2.515 15.223 1.187 1.00 0.33 C ATOM 1702 CG PHE A 104 -2.684 16.381 0.230 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -1.819 16.515 -0.863 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -3.702 17.322 0.435 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -1.972 17.587 -1.751 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -3.855 18.394 -0.453 1.00 1.19 C ATOM 1707 CZ PHE A 104 -2.990 18.527 -1.546 1.00 0.60 C ATOM 0 H PHE A 104 -1.765 13.563 2.907 1.00 0.29 H new ATOM 0 HA PHE A 104 -0.449 15.719 1.522 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -2.345 14.300 0.632 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -3.426 15.082 1.768 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -1.033 15.791 -1.021 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -4.369 17.220 1.278 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -1.305 17.689 -2.594 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -4.640 19.118 -0.295 1.00 1.19 H new ATOM 0 HZ PHE A 104 -3.108 19.354 -2.231 1.00 0.60 H new ATOM 1717 N GLU A 105 -2.260 16.470 4.144 1.00 0.42 N ATOM 1718 CA GLU A 105 -2.593 17.605 5.049 1.00 0.52 C ATOM 1719 C GLU A 105 -1.298 18.292 5.487 1.00 0.56 C ATOM 1720 O GLU A 105 -1.236 19.498 5.589 1.00 0.61 O ATOM 1721 CB GLU A 105 -3.332 17.069 6.283 1.00 0.58 C ATOM 1722 CG GLU A 105 -4.795 16.790 5.928 1.00 1.20 C ATOM 1723 CD GLU A 105 -5.545 18.115 5.782 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -5.656 18.822 6.770 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -5.994 18.402 4.684 1.00 2.31 O ATOM 0 H GLU A 105 -2.537 15.548 4.481 1.00 0.42 H new ATOM 0 HA GLU A 105 -3.229 18.320 4.528 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -2.853 16.156 6.637 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -3.277 17.794 7.095 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -4.853 16.222 4.999 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -5.259 16.181 6.704 1.00 1.20 H new ATOM 1838 N GLN A 112 3.458 15.273 -6.815 1.00 0.54 N ATOM 1839 CA GLN A 112 3.419 13.789 -6.968 1.00 0.49 C ATOM 1840 C GLN A 112 2.434 13.212 -5.945 1.00 0.39 C ATOM 1841 O GLN A 112 1.816 12.190 -6.165 1.00 0.37 O ATOM 1842 CB GLN A 112 4.843 13.228 -6.725 1.00 0.54 C ATOM 1843 CG GLN A 112 5.273 12.329 -7.890 1.00 1.05 C ATOM 1844 CD GLN A 112 4.313 11.144 -8.001 1.00 1.82 C ATOM 1845 OE1 GLN A 112 4.079 10.443 -7.036 1.00 2.54 O ATOM 1846 NE2 GLN A 112 3.742 10.888 -9.146 1.00 2.56 N ATOM 0 HA GLN A 112 3.092 13.512 -7.970 1.00 0.49 H new ATOM 0 HB2 GLN A 112 5.550 14.050 -6.613 1.00 0.54 H new ATOM 0 HB3 GLN A 112 4.863 12.661 -5.794 1.00 0.54 H new ATOM 0 HG2 GLN A 112 5.275 12.897 -8.820 1.00 1.05 H new ATOM 0 HG3 GLN A 112 6.291 11.973 -7.732 1.00 1.05 H new ATOM 0 HE21 GLN A 112 3.938 11.476 -9.956 1.00 2.56 H new ATOM 0 HE22 GLN A 112 3.100 10.100 -9.231 1.00 2.56 H new ATOM 1855 N VAL A 113 2.283 13.873 -4.834 1.00 0.37 N ATOM 1856 CA VAL A 113 1.337 13.387 -3.795 1.00 0.32 C ATOM 1857 C VAL A 113 -0.084 13.716 -4.244 1.00 0.32 C ATOM 1858 O VAL A 113 -0.958 12.872 -4.261 1.00 0.30 O ATOM 1859 CB VAL A 113 1.630 14.087 -2.465 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.794 13.448 -1.355 1.00 0.41 C ATOM 1861 CG2 VAL A 113 3.116 13.943 -2.129 1.00 0.40 C ATOM 0 H VAL A 113 2.777 14.734 -4.600 1.00 0.37 H new ATOM 0 HA VAL A 113 1.448 12.311 -3.661 1.00 0.32 H new ATOM 0 HB VAL A 113 1.376 15.144 -2.549 1.00 0.35 H new ATOM 0 HG11 VAL A 113 1.003 13.947 -0.409 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.265 13.550 -1.593 1.00 0.41 H new ATOM 0 HG13 VAL A 113 1.047 12.391 -1.272 1.00 0.41 H new ATOM 0 HG21 VAL A 113 3.325 14.441 -1.182 1.00 0.40 H new ATOM 0 HG22 VAL A 113 3.370 12.886 -2.047 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.713 14.399 -2.919 1.00 0.40 H new ATOM 1871 N GLY A 114 -0.312 14.944 -4.616 1.00 0.37 N ATOM 1872 CA GLY A 114 -1.671 15.342 -5.075 1.00 0.40 C ATOM 1873 C GLY A 114 -2.099 14.420 -6.216 1.00 0.38 C ATOM 1874 O GLY A 114 -3.264 14.118 -6.383 1.00 0.38 O ATOM 0 H GLY A 114 0.384 15.689 -4.622 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -2.381 15.276 -4.251 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -1.667 16.379 -5.410 1.00 0.40 H new ATOM 1878 N ALA A 115 -1.160 13.970 -7.003 1.00 0.38 N ATOM 1879 CA ALA A 115 -1.500 13.065 -8.137 1.00 0.38 C ATOM 1880 C ALA A 115 -1.761 11.650 -7.605 1.00 0.33 C ATOM 1881 O ALA A 115 -2.760 11.033 -7.932 1.00 0.34 O ATOM 1882 CB ALA A 115 -0.346 13.048 -9.139 1.00 0.43 C ATOM 0 H ALA A 115 -0.169 14.191 -6.909 1.00 0.38 H new ATOM 0 HA ALA A 115 -2.399 13.426 -8.637 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -0.594 12.386 -9.969 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -0.178 14.056 -9.517 1.00 0.43 H new ATOM 0 HB3 ALA A 115 0.558 12.689 -8.647 1.00 0.43 H new ATOM 1888 N LEU A 116 -0.901 11.126 -6.779 1.00 0.31 N ATOM 1889 CA LEU A 116 -1.162 9.760 -6.249 1.00 0.29 C ATOM 1890 C LEU A 116 -2.520 9.775 -5.550 1.00 0.26 C ATOM 1891 O LEU A 116 -3.336 8.893 -5.728 1.00 0.25 O ATOM 1892 CB LEU A 116 -0.068 9.365 -5.250 1.00 0.32 C ATOM 1893 CG LEU A 116 -0.320 7.945 -4.716 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -0.211 6.918 -5.856 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.720 7.628 -3.637 1.00 0.68 C ATOM 0 H LEU A 116 -0.045 11.574 -6.453 1.00 0.31 H new ATOM 0 HA LEU A 116 -1.162 9.035 -7.063 1.00 0.29 H new ATOM 0 HB2 LEU A 116 0.908 9.411 -5.732 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.049 10.074 -4.422 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.324 7.891 -4.294 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -0.392 5.918 -5.463 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -0.951 7.146 -6.623 1.00 0.49 H new ATOM 0 HD13 LEU A 116 0.787 6.962 -6.291 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.550 6.623 -3.252 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.720 7.687 -4.067 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.631 8.348 -2.824 1.00 0.68 H new ATOM 1907 N LYS A 117 -2.766 10.781 -4.758 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.068 10.870 -4.045 1.00 0.28 C ATOM 1909 C LYS A 117 -5.201 10.910 -5.074 1.00 0.28 C ATOM 1910 O LYS A 117 -6.307 10.482 -4.811 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.086 12.146 -3.187 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.495 12.385 -2.581 1.00 0.78 C ATOM 1913 CD LYS A 117 -6.212 13.535 -3.314 1.00 0.86 C ATOM 1914 CE LYS A 117 -5.694 14.889 -2.805 1.00 1.44 C ATOM 1915 NZ LYS A 117 -5.996 15.944 -3.814 1.00 2.16 N ATOM 0 H LYS A 117 -2.118 11.547 -4.574 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.203 10.003 -3.398 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -3.351 12.061 -2.387 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -3.797 13.003 -3.796 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -6.088 11.473 -2.655 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -5.406 12.622 -1.521 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -6.044 13.453 -4.388 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -7.288 13.465 -3.153 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -6.163 15.136 -1.853 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -4.620 14.837 -2.627 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -5.646 16.862 -3.472 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -5.529 15.709 -4.713 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -7.024 15.999 -3.962 1.00 2.16 H new ATOM 1929 N SER A 118 -4.936 11.430 -6.244 1.00 0.29 N ATOM 1930 CA SER A 118 -5.996 11.510 -7.290 1.00 0.31 C ATOM 1931 C SER A 118 -6.426 10.106 -7.727 1.00 0.29 C ATOM 1932 O SER A 118 -7.564 9.891 -8.085 1.00 0.30 O ATOM 1933 CB SER A 118 -5.463 12.274 -8.501 1.00 0.34 C ATOM 1934 OG SER A 118 -6.548 12.622 -9.351 1.00 1.35 O ATOM 0 H SER A 118 -4.028 11.804 -6.520 1.00 0.29 H new ATOM 0 HA SER A 118 -6.858 12.030 -6.873 1.00 0.31 H new ATOM 0 HB2 SER A 118 -4.938 13.172 -8.176 1.00 0.34 H new ATOM 0 HB3 SER A 118 -4.743 11.662 -9.044 1.00 0.34 H new ATOM 0 HG SER A 118 -6.210 13.114 -10.128 1.00 1.35 H new ATOM 1940 N MET A 119 -5.548 9.139 -7.684 1.00 0.26 N ATOM 1941 CA MET A 119 -5.961 7.758 -8.086 1.00 0.25 C ATOM 1942 C MET A 119 -6.848 7.179 -6.978 1.00 0.23 C ATOM 1943 O MET A 119 -7.887 6.605 -7.224 1.00 0.24 O ATOM 1944 CB MET A 119 -4.712 6.879 -8.255 1.00 0.26 C ATOM 1945 CG MET A 119 -4.041 7.175 -9.599 1.00 0.61 C ATOM 1946 SD MET A 119 -3.405 8.875 -9.596 1.00 1.03 S ATOM 1947 CE MET A 119 -1.669 8.503 -9.960 1.00 0.69 C ATOM 0 H MET A 119 -4.576 9.240 -7.393 1.00 0.26 H new ATOM 0 HA MET A 119 -6.507 7.787 -9.029 1.00 0.25 H new ATOM 0 HB2 MET A 119 -4.012 7.067 -7.441 1.00 0.26 H new ATOM 0 HB3 MET A 119 -4.988 5.826 -8.201 1.00 0.26 H new ATOM 0 HG2 MET A 119 -3.227 6.471 -9.774 1.00 0.61 H new ATOM 0 HG3 MET A 119 -4.756 7.044 -10.411 1.00 0.61 H new ATOM 0 HE1 MET A 119 -1.099 9.431 -10.002 1.00 0.69 H new ATOM 0 HE2 MET A 119 -1.262 7.862 -9.178 1.00 0.69 H new ATOM 0 HE3 MET A 119 -1.600 7.992 -10.920 1.00 0.69 H new ATOM 1957 N VAL A 120 -6.439 7.376 -5.761 1.00 0.21 N ATOM 1958 CA VAL A 120 -7.218 6.905 -4.581 1.00 0.20 C ATOM 1959 C VAL A 120 -8.582 7.599 -4.499 1.00 0.22 C ATOM 1960 O VAL A 120 -9.601 6.948 -4.376 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.438 7.259 -3.315 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.153 6.661 -2.099 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.024 6.682 -3.410 1.00 0.23 C ATOM 0 H VAL A 120 -5.572 7.858 -5.525 1.00 0.21 H new ATOM 0 HA VAL A 120 -7.372 5.830 -4.678 1.00 0.20 H new ATOM 0 HB VAL A 120 -6.381 8.342 -3.210 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.601 6.911 -1.193 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.162 7.069 -2.033 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.206 5.577 -2.205 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.467 6.934 -2.508 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.079 5.598 -3.512 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -4.517 7.102 -4.279 1.00 0.23 H new ATOM 1973 N GLU A 121 -8.627 8.900 -4.538 1.00 0.25 N ATOM 1974 CA GLU A 121 -9.948 9.586 -4.432 1.00 0.29 C ATOM 1975 C GLU A 121 -10.754 9.357 -5.711 1.00 0.28 C ATOM 1976 O GLU A 121 -11.965 9.260 -5.680 1.00 0.31 O ATOM 1977 CB GLU A 121 -9.731 11.094 -4.204 1.00 0.35 C ATOM 1978 CG GLU A 121 -9.638 11.386 -2.701 1.00 1.07 C ATOM 1979 CD GLU A 121 -11.025 11.242 -2.070 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -11.941 10.863 -2.781 1.00 2.27 O ATOM 1981 OE2 GLU A 121 -11.147 11.514 -0.887 1.00 2.20 O ATOM 0 H GLU A 121 -7.819 9.514 -4.637 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.502 9.176 -3.588 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -8.818 11.419 -4.704 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -10.553 11.659 -4.643 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -8.938 10.698 -2.228 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -9.255 12.393 -2.538 1.00 1.07 H new ATOM 1988 N ASP A 122 -10.104 9.270 -6.834 1.00 0.28 N ATOM 1989 CA ASP A 122 -10.857 9.050 -8.096 1.00 0.30 C ATOM 1990 C ASP A 122 -11.474 7.651 -8.088 1.00 0.28 C ATOM 1991 O ASP A 122 -12.498 7.419 -8.696 1.00 0.31 O ATOM 1992 CB ASP A 122 -9.914 9.193 -9.294 1.00 0.34 C ATOM 1993 CG ASP A 122 -10.681 8.915 -10.587 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -11.257 9.848 -11.122 1.00 1.92 O ATOM 1995 OD2 ASP A 122 -10.678 7.775 -11.021 1.00 1.89 O ATOM 0 H ASP A 122 -9.091 9.341 -6.933 1.00 0.28 H new ATOM 0 HA ASP A 122 -11.650 9.793 -8.176 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -9.491 10.197 -9.319 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -9.080 8.498 -9.198 1.00 0.34 H new ATOM 2000 N LYS A 123 -10.858 6.707 -7.421 1.00 0.27 N ATOM 2001 CA LYS A 123 -11.417 5.320 -7.403 1.00 0.27 C ATOM 2002 C LYS A 123 -12.544 5.207 -6.365 1.00 0.26 C ATOM 2003 O LYS A 123 -13.467 4.437 -6.538 1.00 0.28 O ATOM 2004 CB LYS A 123 -10.285 4.315 -7.063 1.00 0.27 C ATOM 2005 CG LYS A 123 -10.052 3.335 -8.224 1.00 0.93 C ATOM 2006 CD LYS A 123 -11.195 2.311 -8.276 1.00 1.10 C ATOM 2007 CE LYS A 123 -11.227 1.645 -9.653 1.00 1.43 C ATOM 2008 NZ LYS A 123 -12.267 0.578 -9.665 1.00 1.95 N ATOM 0 H LYS A 123 -9.996 6.836 -6.891 1.00 0.27 H new ATOM 0 HA LYS A 123 -11.829 5.091 -8.386 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -9.364 4.858 -6.850 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -10.545 3.761 -6.161 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -9.996 3.880 -9.166 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -9.098 2.823 -8.095 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -11.057 1.558 -7.500 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -12.147 2.803 -8.077 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -11.443 2.386 -10.422 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -10.251 1.219 -9.885 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -12.289 0.125 -10.601 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -12.042 -0.134 -8.941 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -13.197 0.997 -9.461 1.00 1.95 H new ATOM 2022 N ILE A 124 -12.495 5.955 -5.288 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.595 5.839 -4.284 1.00 0.29 C ATOM 2024 C ILE A 124 -14.814 6.611 -4.802 1.00 0.35 C ATOM 2025 O ILE A 124 -15.943 6.309 -4.473 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.131 6.388 -2.930 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.056 5.459 -2.357 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.317 6.437 -1.966 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.433 6.081 -1.102 1.00 0.30 C ATOM 0 H ILE A 124 -11.759 6.625 -5.065 1.00 0.27 H new ATOM 0 HA ILE A 124 -13.867 4.793 -4.143 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.726 7.391 -3.060 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.494 4.491 -2.113 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.283 5.280 -3.105 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.987 6.827 -1.003 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -15.092 7.086 -2.375 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.719 5.433 -1.832 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.671 5.411 -0.704 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.978 7.038 -1.358 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -12.207 6.237 -0.351 1.00 0.30 H new ATOM 2041 N GLN A 125 -14.587 7.587 -5.637 1.00 0.35 N ATOM 2042 CA GLN A 125 -15.708 8.378 -6.223 1.00 0.40 C ATOM 2043 C GLN A 125 -16.229 7.678 -7.488 1.00 0.43 C ATOM 2044 O GLN A 125 -17.420 7.554 -7.696 1.00 0.54 O ATOM 2045 CB GLN A 125 -15.177 9.778 -6.603 1.00 0.53 C ATOM 2046 CG GLN A 125 -15.419 10.765 -5.454 1.00 1.22 C ATOM 2047 CD GLN A 125 -16.907 11.119 -5.394 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -17.560 10.884 -4.396 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -17.476 11.677 -6.428 1.00 2.64 N ATOM 0 H GLN A 125 -13.658 7.875 -5.943 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.518 8.463 -5.499 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -14.112 9.723 -6.827 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -15.674 10.131 -7.506 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -15.100 10.326 -4.509 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -14.825 11.667 -5.603 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -16.929 11.875 -7.266 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -18.467 11.915 -6.398 1.00 2.64 H new