USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 631 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 83 SER OG : rot 36:sc= 0.344 USER MOD Set 1.2: A 88 THR OG1 : rot -31:sc= 0.31 USER MOD Set 2.1: A 42 MET CE :methyl -121:sc= 0 (180deg=-0.0057) USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 34 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -168:sc= 0 (180deg=-0.0871) USER MOD Single : A 25 SER OG : rot 23:sc= 0.275 USER MOD Single : A 26 CYS SG : rot 114:sc= 0.0847 USER MOD Single : A 27 SER OG : rot 21:sc= 0.386! USER MOD Single : A 30 CYS SG : rot 23:sc= 0.313 USER MOD Single : A 44 THR OG1 : rot 6:sc= 0.114 USER MOD Single : A 48 LYS NZ :NH3+ -136:sc= 0.0376 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.73) USER MOD Single : A 59 THR OG1 : rot 111:sc= -0.912 USER MOD Single : A 61 GLN : amide:sc=-0.00293 K(o=-0.0029,f=-1.3) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 30:sc= -1.73 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.12 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 10 1.999 17.928 -6.072 1.00 0.00 N ATOM 101 CA GLY A 10 1.078 16.850 -6.382 1.00 0.00 C ATOM 102 C GLY A 10 1.768 15.503 -6.464 1.00 0.00 C ATOM 103 O GLY A 10 2.872 15.396 -6.999 1.00 0.00 O ATOM 0 HA2 GLY A 10 0.300 16.810 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.584 17.060 -7.331 1.00 0.00 H new ATOM 107 N ILE A 11 1.119 14.473 -5.933 1.00 0.00 N ATOM 108 CA ILE A 11 1.678 13.127 -5.949 1.00 0.00 C ATOM 109 C ILE A 11 2.226 12.776 -7.328 1.00 0.00 C ATOM 110 O ILE A 11 1.471 12.633 -8.291 1.00 0.00 O ATOM 111 CB ILE A 11 0.628 12.076 -5.543 1.00 0.00 C ATOM 112 CG1 ILE A 11 0.090 12.375 -4.142 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.227 10.679 -5.599 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.232 11.702 -3.846 1.00 0.00 C ATOM 0 H ILE A 11 0.205 14.545 -5.486 1.00 0.00 H new ATOM 0 HA ILE A 11 2.491 13.114 -5.223 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.202 12.123 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.825 12.055 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.027 13.453 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.472 9.948 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.566 10.469 -6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.073 10.618 -4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.553 11.958 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.981 12.041 -4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.116 10.621 -3.926 1.00 0.00 H new ATOM 126 N THR A 12 3.545 12.636 -7.417 1.00 0.00 N ATOM 127 CA THR A 12 4.195 12.300 -8.677 1.00 0.00 C ATOM 128 C THR A 12 4.222 10.792 -8.897 1.00 0.00 C ATOM 129 O THR A 12 4.066 10.315 -10.021 1.00 0.00 O ATOM 130 CB THR A 12 5.636 12.841 -8.727 1.00 0.00 C ATOM 131 OG1 THR A 12 6.224 12.552 -10.001 1.00 0.00 O ATOM 132 CG2 THR A 12 6.483 12.229 -7.622 1.00 0.00 C ATOM 0 H THR A 12 4.184 12.750 -6.630 1.00 0.00 H new ATOM 0 HA THR A 12 3.611 12.769 -9.469 1.00 0.00 H new ATOM 0 HB THR A 12 5.600 13.920 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.140 12.901 -10.025 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.496 12.626 -7.678 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.050 12.475 -6.653 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.511 11.146 -7.742 1.00 0.00 H new ATOM 140 N LYS A 13 4.422 10.045 -7.817 1.00 0.00 N ATOM 141 CA LYS A 13 4.469 8.589 -7.890 1.00 0.00 C ATOM 142 C LYS A 13 3.270 7.970 -7.178 1.00 0.00 C ATOM 143 O LYS A 13 3.212 7.946 -5.948 1.00 0.00 O ATOM 144 CB LYS A 13 5.768 8.068 -7.273 1.00 0.00 C ATOM 145 CG LYS A 13 6.916 7.971 -8.262 1.00 0.00 C ATOM 146 CD LYS A 13 7.967 6.975 -7.802 1.00 0.00 C ATOM 147 CE LYS A 13 7.602 5.554 -8.205 1.00 0.00 C ATOM 148 NZ LYS A 13 8.773 4.638 -8.129 1.00 0.00 N ATOM 0 H LYS A 13 4.554 10.424 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 13 4.433 8.301 -8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.060 8.725 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.586 7.083 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.532 7.672 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.374 8.952 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.933 7.239 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.074 7.031 -6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.809 5.184 -7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.207 5.555 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.483 3.680 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.520 4.976 -8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.135 4.617 -7.154 1.00 0.00 H new ATOM 162 N ARG A 14 2.318 7.469 -7.958 1.00 0.00 N ATOM 163 CA ARG A 14 1.122 6.849 -7.401 1.00 0.00 C ATOM 164 C ARG A 14 1.306 5.341 -7.260 1.00 0.00 C ATOM 165 O ARG A 14 2.144 4.741 -7.935 1.00 0.00 O ATOM 166 CB ARG A 14 -0.091 7.146 -8.285 1.00 0.00 C ATOM 167 CG ARG A 14 -0.760 8.474 -7.975 1.00 0.00 C ATOM 168 CD ARG A 14 -2.218 8.478 -8.406 1.00 0.00 C ATOM 169 NE ARG A 14 -2.374 8.861 -9.807 1.00 0.00 N ATOM 170 CZ ARG A 14 -2.172 10.094 -10.259 1.00 0.00 C ATOM 171 NH1 ARG A 14 -1.807 11.057 -9.424 1.00 0.00 N ATOM 172 NH2 ARG A 14 -2.333 10.364 -11.548 1.00 0.00 N ATOM 0 H ARG A 14 2.352 7.480 -8.977 1.00 0.00 H new ATOM 0 HA ARG A 14 0.953 7.270 -6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.221 7.141 -9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.821 6.345 -8.167 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.695 8.674 -6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.227 9.278 -8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.644 7.487 -8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.780 9.168 -7.777 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.653 8.142 -10.475 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.681 10.852 -8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.652 12.003 -9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.612 9.625 -12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.178 11.311 -11.894 1.00 0.00 H new ATOM 186 N LEU A 15 0.518 4.733 -6.380 1.00 0.00 N ATOM 187 CA LEU A 15 0.594 3.295 -6.151 1.00 0.00 C ATOM 188 C LEU A 15 0.434 2.525 -7.458 1.00 0.00 C ATOM 189 O LEU A 15 -0.452 2.820 -8.260 1.00 0.00 O ATOM 190 CB LEU A 15 -0.483 2.860 -5.155 1.00 0.00 C ATOM 191 CG LEU A 15 -0.524 3.627 -3.832 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.791 3.294 -3.061 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.709 3.313 -2.997 1.00 0.00 C ATOM 0 H LEU A 15 -0.181 5.214 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 15 1.577 3.070 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.456 2.956 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.339 1.802 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.528 4.695 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.802 3.849 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.662 3.569 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.818 2.225 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.664 3.867 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.743 2.244 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.604 3.603 -3.547 1.00 0.00 H new ATOM 205 N LYS A 16 1.296 1.536 -7.665 1.00 0.00 N ATOM 206 CA LYS A 16 1.250 0.720 -8.873 1.00 0.00 C ATOM 207 C LYS A 16 0.657 -0.654 -8.579 1.00 0.00 C ATOM 208 O LYS A 16 1.064 -1.328 -7.632 1.00 0.00 O ATOM 209 CB LYS A 16 2.653 0.567 -9.463 1.00 0.00 C ATOM 210 CG LYS A 16 3.634 -0.122 -8.530 1.00 0.00 C ATOM 211 CD LYS A 16 5.073 0.184 -8.909 1.00 0.00 C ATOM 212 CE LYS A 16 5.994 0.116 -7.700 1.00 0.00 C ATOM 213 NZ LYS A 16 7.160 1.033 -7.840 1.00 0.00 N ATOM 0 H LYS A 16 2.036 1.280 -7.011 1.00 0.00 H new ATOM 0 HA LYS A 16 0.611 1.224 -9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.588 -0.001 -10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.040 1.553 -9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.450 0.200 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.470 -1.199 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.410 -0.525 -9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.130 1.177 -9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.434 0.375 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.349 -0.906 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.764 0.958 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.709 0.770 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.822 2.012 -7.938 1.00 0.00 H new ATOM 227 N THR A 17 -0.306 -1.066 -9.398 1.00 0.00 N ATOM 228 CA THR A 17 -0.954 -2.360 -9.226 1.00 0.00 C ATOM 229 C THR A 17 0.061 -3.441 -8.872 1.00 0.00 C ATOM 230 O THR A 17 1.061 -3.618 -9.568 1.00 0.00 O ATOM 231 CB THR A 17 -1.713 -2.781 -10.498 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.719 -1.812 -10.812 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.357 -4.148 -10.316 1.00 0.00 C ATOM 0 H THR A 17 -0.654 -0.522 -10.187 1.00 0.00 H new ATOM 0 HA THR A 17 -1.665 -2.251 -8.407 1.00 0.00 H new ATOM 0 HB THR A 17 -0.998 -2.840 -11.319 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.196 -2.086 -11.623 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.887 -4.424 -11.227 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.585 -4.889 -10.106 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.060 -4.111 -9.484 1.00 0.00 H new ATOM 241 N MET A 18 -0.202 -4.161 -7.787 1.00 0.00 N ATOM 242 CA MET A 18 0.689 -5.227 -7.342 1.00 0.00 C ATOM 243 C MET A 18 -0.041 -6.566 -7.305 1.00 0.00 C ATOM 244 O MET A 18 -1.145 -6.665 -6.770 1.00 0.00 O ATOM 245 CB MET A 18 1.256 -4.903 -5.959 1.00 0.00 C ATOM 246 CG MET A 18 2.370 -3.869 -5.986 1.00 0.00 C ATOM 247 SD MET A 18 3.935 -4.550 -6.569 1.00 0.00 S ATOM 248 CE MET A 18 4.479 -5.442 -5.115 1.00 0.00 C ATOM 0 H MET A 18 -1.025 -4.026 -7.199 1.00 0.00 H new ATOM 0 HA MET A 18 1.510 -5.301 -8.055 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.450 -4.540 -5.321 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.633 -5.820 -5.506 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.076 -3.041 -6.630 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.506 -3.461 -4.984 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.521 -5.738 -5.239 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.386 -4.801 -4.239 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.862 -6.331 -4.981 1.00 0.00 H new ATOM 258 N GLU A 19 0.583 -7.591 -7.876 1.00 0.00 N ATOM 259 CA GLU A 19 -0.009 -8.923 -7.908 1.00 0.00 C ATOM 260 C GLU A 19 0.818 -9.906 -7.086 1.00 0.00 C ATOM 261 O GLU A 19 2.000 -10.119 -7.357 1.00 0.00 O ATOM 262 CB GLU A 19 -0.125 -9.419 -9.351 1.00 0.00 C ATOM 263 CG GLU A 19 -0.784 -10.783 -9.474 1.00 0.00 C ATOM 264 CD GLU A 19 -0.356 -11.526 -10.725 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.863 -11.723 -10.912 1.00 0.00 O ATOM 266 OE2 GLU A 19 -1.241 -11.912 -11.517 1.00 0.00 O ATOM 0 H GLU A 19 1.498 -7.525 -8.322 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.006 -8.860 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.697 -8.695 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.871 -9.465 -9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.537 -11.382 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.867 -10.660 -9.481 1.00 0.00 H new ATOM 273 N VAL A 20 0.189 -10.503 -6.078 1.00 0.00 N ATOM 274 CA VAL A 20 0.865 -11.464 -5.216 1.00 0.00 C ATOM 275 C VAL A 20 -0.029 -12.662 -4.920 1.00 0.00 C ATOM 276 O VAL A 20 -1.216 -12.663 -5.253 1.00 0.00 O ATOM 277 CB VAL A 20 1.296 -10.818 -3.885 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.034 -9.513 -4.139 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.088 -10.591 -2.988 1.00 0.00 C ATOM 0 H VAL A 20 -0.789 -10.337 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 20 1.752 -11.801 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 20 1.977 -11.499 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.330 -9.071 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.922 -9.708 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.380 -8.823 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.410 -10.134 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.619 -9.930 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.394 -11.546 -2.778 1.00 0.00 H new ATOM 289 N LEU A 21 0.546 -13.683 -4.293 1.00 0.00 N ATOM 290 CA LEU A 21 -0.200 -14.889 -3.952 1.00 0.00 C ATOM 291 C LEU A 21 -0.669 -14.847 -2.501 1.00 0.00 C ATOM 292 O LEU A 21 0.125 -14.623 -1.588 1.00 0.00 O ATOM 293 CB LEU A 21 0.665 -16.130 -4.184 1.00 0.00 C ATOM 294 CG LEU A 21 -0.028 -17.478 -3.982 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.677 -17.944 -5.275 1.00 0.00 C ATOM 296 CD2 LEU A 21 0.963 -18.516 -3.476 1.00 0.00 C ATOM 0 H LEU A 21 1.526 -13.699 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.077 -14.939 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.053 -16.093 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.523 -16.081 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.809 -17.354 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.165 -18.905 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.417 -17.211 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.085 -18.051 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.453 -19.469 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.766 -18.637 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.381 -18.187 -2.525 1.00 0.00 H new ATOM 308 N GLU A 22 -1.965 -15.065 -2.297 1.00 0.00 N ATOM 309 CA GLU A 22 -2.539 -15.053 -0.956 1.00 0.00 C ATOM 310 C GLU A 22 -1.563 -15.642 0.059 1.00 0.00 C ATOM 311 O GLU A 22 -1.175 -16.806 -0.040 1.00 0.00 O ATOM 312 CB GLU A 22 -3.852 -15.837 -0.933 1.00 0.00 C ATOM 313 CG GLU A 22 -4.447 -15.987 0.457 1.00 0.00 C ATOM 314 CD GLU A 22 -5.559 -17.016 0.508 1.00 0.00 C ATOM 315 OE1 GLU A 22 -6.715 -16.655 0.202 1.00 0.00 O ATOM 316 OE2 GLU A 22 -5.275 -18.182 0.855 1.00 0.00 O ATOM 0 H GLU A 22 -2.636 -15.252 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.738 -14.017 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.575 -15.337 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.681 -16.827 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.661 -16.273 1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.834 -15.023 0.789 1.00 0.00 H new ATOM 323 N GLY A 23 -1.171 -14.829 1.035 1.00 0.00 N ATOM 324 CA GLY A 23 -0.244 -15.287 2.053 1.00 0.00 C ATOM 325 C GLY A 23 1.088 -14.566 1.991 1.00 0.00 C ATOM 326 O GLY A 23 1.637 -14.173 3.020 1.00 0.00 O ATOM 0 H GLY A 23 -1.479 -13.862 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.688 -15.139 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.080 -16.358 1.935 1.00 0.00 H new ATOM 330 N GLU A 24 1.610 -14.394 0.780 1.00 0.00 N ATOM 331 CA GLU A 24 2.888 -13.717 0.589 1.00 0.00 C ATOM 332 C GLU A 24 2.857 -12.316 1.193 1.00 0.00 C ATOM 333 O GLU A 24 1.806 -11.832 1.612 1.00 0.00 O ATOM 334 CB GLU A 24 3.229 -13.636 -0.900 1.00 0.00 C ATOM 335 CG GLU A 24 3.306 -14.992 -1.582 1.00 0.00 C ATOM 336 CD GLU A 24 3.880 -14.908 -2.983 1.00 0.00 C ATOM 337 OE1 GLU A 24 3.431 -14.037 -3.757 1.00 0.00 O ATOM 338 OE2 GLU A 24 4.778 -15.714 -3.306 1.00 0.00 O ATOM 0 H GLU A 24 1.168 -14.714 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 24 3.657 -14.296 1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.478 -13.028 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.184 -13.125 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.920 -15.662 -0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.308 -15.429 -1.628 1.00 0.00 H new ATOM 345 N SER A 25 4.019 -11.670 1.234 1.00 0.00 N ATOM 346 CA SER A 25 4.127 -10.327 1.790 1.00 0.00 C ATOM 347 C SER A 25 4.757 -9.371 0.781 1.00 0.00 C ATOM 348 O SER A 25 5.836 -9.635 0.249 1.00 0.00 O ATOM 349 CB SER A 25 4.956 -10.349 3.075 1.00 0.00 C ATOM 350 OG SER A 25 6.271 -10.816 2.826 1.00 0.00 O ATOM 0 H SER A 25 4.898 -12.056 0.889 1.00 0.00 H new ATOM 0 HA SER A 25 3.122 -9.974 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.997 -9.347 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.473 -10.990 3.812 1.00 0.00 H new ATOM 0 HG SER A 25 6.494 -10.679 1.882 1.00 0.00 H new ATOM 356 N CYS A 26 4.075 -8.260 0.524 1.00 0.00 N ATOM 357 CA CYS A 26 4.567 -7.263 -0.422 1.00 0.00 C ATOM 358 C CYS A 26 4.761 -5.914 0.262 1.00 0.00 C ATOM 359 O CYS A 26 4.596 -5.793 1.476 1.00 0.00 O ATOM 360 CB CYS A 26 3.595 -7.119 -1.594 1.00 0.00 C ATOM 361 SG CYS A 26 1.979 -6.451 -1.135 1.00 0.00 S ATOM 0 H CYS A 26 3.181 -8.027 0.956 1.00 0.00 H new ATOM 0 HA CYS A 26 5.532 -7.601 -0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.044 -6.471 -2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.454 -8.095 -2.057 1.00 0.00 H new ATOM 0 HG CYS A 26 1.823 -5.280 -1.678 1.00 0.00 H new ATOM 367 N SER A 27 5.114 -4.903 -0.525 1.00 0.00 N ATOM 368 CA SER A 27 5.337 -3.563 0.006 1.00 0.00 C ATOM 369 C SER A 27 5.152 -2.510 -1.083 1.00 0.00 C ATOM 370 O SER A 27 5.778 -2.578 -2.141 1.00 0.00 O ATOM 371 CB SER A 27 6.741 -3.455 0.603 1.00 0.00 C ATOM 372 OG SER A 27 7.723 -3.371 -0.415 1.00 0.00 O ATOM 0 H SER A 27 5.252 -4.986 -1.532 1.00 0.00 H new ATOM 0 HA SER A 27 4.602 -3.383 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.800 -2.575 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.939 -4.322 1.233 1.00 0.00 H new ATOM 0 HG SER A 27 7.306 -3.067 -1.248 1.00 0.00 H new ATOM 378 N PHE A 28 4.287 -1.537 -0.815 1.00 0.00 N ATOM 379 CA PHE A 28 4.018 -0.469 -1.771 1.00 0.00 C ATOM 380 C PHE A 28 4.908 0.741 -1.500 1.00 0.00 C ATOM 381 O PHE A 28 5.673 0.757 -0.537 1.00 0.00 O ATOM 382 CB PHE A 28 2.546 -0.058 -1.707 1.00 0.00 C ATOM 383 CG PHE A 28 1.611 -1.089 -2.273 1.00 0.00 C ATOM 384 CD1 PHE A 28 1.380 -2.278 -1.600 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.962 -0.868 -3.477 1.00 0.00 C ATOM 386 CE1 PHE A 28 0.521 -3.228 -2.119 1.00 0.00 C ATOM 387 CE2 PHE A 28 0.101 -1.814 -4.001 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.120 -2.995 -3.320 1.00 0.00 C ATOM 0 H PHE A 28 3.761 -1.466 0.056 1.00 0.00 H new ATOM 0 HA PHE A 28 4.240 -0.845 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.276 0.135 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.414 0.878 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.877 -2.464 -0.659 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.131 0.055 -4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.351 -4.152 -1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.398 -1.630 -4.941 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.793 -3.735 -3.726 1.00 0.00 H new ATOM 398 N GLU A 29 4.800 1.751 -2.358 1.00 0.00 N ATOM 399 CA GLU A 29 5.596 2.964 -2.211 1.00 0.00 C ATOM 400 C GLU A 29 4.904 4.151 -2.875 1.00 0.00 C ATOM 401 O GLU A 29 4.426 4.052 -4.006 1.00 0.00 O ATOM 402 CB GLU A 29 6.986 2.765 -2.818 1.00 0.00 C ATOM 403 CG GLU A 29 7.833 1.742 -2.079 1.00 0.00 C ATOM 404 CD GLU A 29 7.593 0.326 -2.564 1.00 0.00 C ATOM 405 OE1 GLU A 29 7.650 0.101 -3.791 1.00 0.00 O ATOM 406 OE2 GLU A 29 7.350 -0.558 -1.716 1.00 0.00 O ATOM 0 H GLU A 29 4.170 1.753 -3.160 1.00 0.00 H new ATOM 0 HA GLU A 29 5.699 3.174 -1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.878 2.453 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.510 3.721 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.887 1.991 -2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.616 1.798 -1.012 1.00 0.00 H new ATOM 413 N CYS A 30 4.855 5.272 -2.165 1.00 0.00 N ATOM 414 CA CYS A 30 4.221 6.479 -2.683 1.00 0.00 C ATOM 415 C CYS A 30 5.096 7.703 -2.434 1.00 0.00 C ATOM 416 O CYS A 30 5.285 8.123 -1.292 1.00 0.00 O ATOM 417 CB CYS A 30 2.849 6.678 -2.037 1.00 0.00 C ATOM 418 SG CYS A 30 1.798 7.877 -2.890 1.00 0.00 S ATOM 0 H CYS A 30 5.247 5.371 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 30 4.094 6.359 -3.759 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.333 5.718 -2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.989 7.002 -1.006 1.00 0.00 H new ATOM 0 HG CYS A 30 2.189 7.997 -4.124 1.00 0.00 H new ATOM 424 N VAL A 31 5.630 8.272 -3.510 1.00 0.00 N ATOM 425 CA VAL A 31 6.486 9.448 -3.408 1.00 0.00 C ATOM 426 C VAL A 31 5.854 10.650 -4.100 1.00 0.00 C ATOM 427 O VAL A 31 5.212 10.513 -5.143 1.00 0.00 O ATOM 428 CB VAL A 31 7.874 9.187 -4.023 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.805 10.360 -3.758 1.00 0.00 C ATOM 430 CG2 VAL A 31 8.463 7.894 -3.479 1.00 0.00 C ATOM 0 H VAL A 31 5.485 7.938 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 31 6.602 9.664 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 31 7.760 9.082 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.781 10.157 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.387 11.264 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.916 10.501 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.444 7.725 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.564 7.967 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.804 7.062 -3.726 1.00 0.00 H new ATOM 440 N LEU A 32 6.038 11.828 -3.515 1.00 0.00 N ATOM 441 CA LEU A 32 5.486 13.056 -4.075 1.00 0.00 C ATOM 442 C LEU A 32 6.582 13.905 -4.712 1.00 0.00 C ATOM 443 O LEU A 32 7.752 13.806 -4.342 1.00 0.00 O ATOM 444 CB LEU A 32 4.770 13.859 -2.988 1.00 0.00 C ATOM 445 CG LEU A 32 3.885 13.057 -2.034 1.00 0.00 C ATOM 446 CD1 LEU A 32 4.680 12.609 -0.817 1.00 0.00 C ATOM 447 CD2 LEU A 32 2.676 13.879 -1.610 1.00 0.00 C ATOM 0 H LEU A 32 6.566 11.959 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 32 4.768 12.783 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.521 14.385 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.155 14.618 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 32 3.531 12.169 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.033 12.040 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.513 11.983 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.064 13.483 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.057 13.292 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.011 14.785 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.093 14.149 -2.490 1.00 0.00 H new ATOM 459 N SER A 33 6.194 14.740 -5.671 1.00 0.00 N ATOM 460 CA SER A 33 7.144 15.605 -6.361 1.00 0.00 C ATOM 461 C SER A 33 8.131 16.223 -5.375 1.00 0.00 C ATOM 462 O SER A 33 9.346 16.117 -5.547 1.00 0.00 O ATOM 463 CB SER A 33 6.403 16.709 -7.118 1.00 0.00 C ATOM 464 OG SER A 33 7.293 17.458 -7.928 1.00 0.00 O ATOM 0 H SER A 33 5.229 14.836 -5.988 1.00 0.00 H new ATOM 0 HA SER A 33 7.701 14.997 -7.073 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.624 16.268 -7.740 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.907 17.371 -6.408 1.00 0.00 H new ATOM 0 HG SER A 33 6.795 18.156 -8.402 1.00 0.00 H new ATOM 470 N HIS A 34 7.600 16.869 -4.342 1.00 0.00 N ATOM 471 CA HIS A 34 8.434 17.504 -3.327 1.00 0.00 C ATOM 472 C HIS A 34 7.810 17.358 -1.942 1.00 0.00 C ATOM 473 O HIS A 34 6.677 16.897 -1.808 1.00 0.00 O ATOM 474 CB HIS A 34 8.635 18.984 -3.655 1.00 0.00 C ATOM 475 CG HIS A 34 9.335 19.218 -4.959 1.00 0.00 C ATOM 476 ND1 HIS A 34 8.688 19.671 -6.089 1.00 0.00 N ATOM 477 CD2 HIS A 34 10.633 19.062 -5.307 1.00 0.00 C ATOM 478 CE1 HIS A 34 9.558 19.782 -7.077 1.00 0.00 C ATOM 479 NE2 HIS A 34 10.746 19.418 -6.629 1.00 0.00 N ATOM 0 H HIS A 34 6.597 16.967 -4.185 1.00 0.00 H new ATOM 0 HA HIS A 34 9.403 17.005 -3.324 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.663 19.478 -3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.209 19.451 -2.855 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.432 18.721 -4.665 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.336 20.114 -8.080 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.607 19.404 -7.176 1.00 0.00 H new ATOM 547 N PRO A 40 1.828 12.583 9.089 1.00 0.00 N ATOM 548 CA PRO A 40 1.643 11.131 9.014 1.00 0.00 C ATOM 549 C PRO A 40 0.804 10.715 7.811 1.00 0.00 C ATOM 550 O PRO A 40 0.340 11.558 7.044 1.00 0.00 O ATOM 551 CB PRO A 40 0.911 10.799 10.317 1.00 0.00 C ATOM 552 CG PRO A 40 0.209 12.060 10.689 1.00 0.00 C ATOM 553 CD PRO A 40 1.092 13.181 10.216 1.00 0.00 C ATOM 0 HA PRO A 40 2.590 10.605 8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.206 9.980 10.177 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.609 10.490 11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.773 12.113 10.220 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.051 12.116 11.766 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.509 14.046 9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.767 13.520 11.002 1.00 0.00 H new ATOM 561 N ALA A 41 0.612 9.409 7.652 1.00 0.00 N ATOM 562 CA ALA A 41 -0.174 8.882 6.544 1.00 0.00 C ATOM 563 C ALA A 41 -1.207 7.873 7.034 1.00 0.00 C ATOM 564 O ALA A 41 -1.153 7.422 8.178 1.00 0.00 O ATOM 565 CB ALA A 41 0.739 8.244 5.507 1.00 0.00 C ATOM 0 H ALA A 41 0.990 8.697 8.277 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.707 9.713 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.139 7.854 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.435 8.991 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.298 7.429 5.967 1.00 0.00 H new ATOM 571 N MET A 42 -2.147 7.524 6.162 1.00 0.00 N ATOM 572 CA MET A 42 -3.192 6.568 6.507 1.00 0.00 C ATOM 573 C MET A 42 -3.483 5.634 5.336 1.00 0.00 C ATOM 574 O MET A 42 -3.986 6.064 4.298 1.00 0.00 O ATOM 575 CB MET A 42 -4.470 7.303 6.918 1.00 0.00 C ATOM 576 CG MET A 42 -5.484 6.413 7.618 1.00 0.00 C ATOM 577 SD MET A 42 -6.540 7.327 8.758 1.00 0.00 S ATOM 578 CE MET A 42 -7.833 6.125 9.060 1.00 0.00 C ATOM 0 H MET A 42 -2.206 7.889 5.211 1.00 0.00 H new ATOM 0 HA MET A 42 -2.839 5.970 7.347 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.208 8.130 7.578 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.931 7.737 6.031 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.105 5.919 6.871 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.958 5.630 8.164 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.795 6.543 8.764 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.635 5.224 8.479 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.857 5.875 10.121 1.00 0.00 H new ATOM 588 N TRP A 43 -3.164 4.357 5.511 1.00 0.00 N ATOM 589 CA TRP A 43 -3.392 3.363 4.468 1.00 0.00 C ATOM 590 C TRP A 43 -4.707 2.626 4.696 1.00 0.00 C ATOM 591 O TRP A 43 -4.979 2.145 5.796 1.00 0.00 O ATOM 592 CB TRP A 43 -2.234 2.365 4.426 1.00 0.00 C ATOM 593 CG TRP A 43 -0.956 2.958 3.915 1.00 0.00 C ATOM 594 CD1 TRP A 43 -0.072 3.728 4.616 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.420 2.831 2.594 1.00 0.00 C ATOM 596 NE1 TRP A 43 0.980 4.088 3.809 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.791 3.549 2.564 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.845 2.178 1.433 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.579 3.633 1.419 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.062 2.263 0.297 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.140 2.984 0.297 1.00 0.00 C ATOM 0 H TRP A 43 -2.747 3.985 6.364 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.450 3.882 3.511 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.068 1.970 5.428 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.513 1.522 3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.184 4.012 5.652 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.773 4.664 4.091 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.768 1.617 1.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.504 4.191 1.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.382 1.765 -0.606 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.731 3.028 -0.606 1.00 0.00 H new ATOM 612 N THR A 44 -5.522 2.541 3.649 1.00 0.00 N ATOM 613 CA THR A 44 -6.809 1.863 3.735 1.00 0.00 C ATOM 614 C THR A 44 -6.956 0.820 2.634 1.00 0.00 C ATOM 615 O THR A 44 -7.182 1.157 1.471 1.00 0.00 O ATOM 616 CB THR A 44 -7.977 2.863 3.639 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.714 3.827 2.614 1.00 0.00 O ATOM 618 CG2 THR A 44 -8.192 3.573 4.967 1.00 0.00 C ATOM 0 H THR A 44 -5.313 2.934 2.731 1.00 0.00 H new ATOM 0 HA THR A 44 -6.842 1.369 4.706 1.00 0.00 H new ATOM 0 HB THR A 44 -8.882 2.308 3.391 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.894 3.581 2.137 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.022 4.274 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.421 2.839 5.739 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.287 4.116 5.240 1.00 0.00 H new ATOM 626 N VAL A 45 -6.827 -0.449 3.006 1.00 0.00 N ATOM 627 CA VAL A 45 -6.948 -1.543 2.050 1.00 0.00 C ATOM 628 C VAL A 45 -7.964 -2.576 2.522 1.00 0.00 C ATOM 629 O VAL A 45 -7.958 -2.984 3.682 1.00 0.00 O ATOM 630 CB VAL A 45 -5.593 -2.240 1.820 1.00 0.00 C ATOM 631 CG1 VAL A 45 -4.991 -2.687 3.143 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.755 -3.418 0.872 1.00 0.00 C ATOM 0 H VAL A 45 -6.638 -0.745 3.964 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.288 -1.106 1.111 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.909 -1.526 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.035 -3.177 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.838 -1.819 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.669 -3.386 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.789 -3.899 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.454 -4.136 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.138 -3.065 -0.085 1.00 0.00 H new ATOM 642 N GLY A 46 -8.839 -2.997 1.612 1.00 0.00 N ATOM 643 CA GLY A 46 -9.850 -3.980 1.954 1.00 0.00 C ATOM 644 C GLY A 46 -11.075 -3.354 2.590 1.00 0.00 C ATOM 645 O GLY A 46 -12.179 -3.888 2.485 1.00 0.00 O ATOM 0 H GLY A 46 -8.865 -2.674 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.147 -4.519 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.423 -4.713 2.639 1.00 0.00 H new ATOM 649 N GLY A 47 -10.881 -2.218 3.254 1.00 0.00 N ATOM 650 CA GLY A 47 -11.989 -1.539 3.900 1.00 0.00 C ATOM 651 C GLY A 47 -11.821 -1.460 5.405 1.00 0.00 C ATOM 652 O GLY A 47 -12.759 -1.727 6.157 1.00 0.00 O ATOM 0 H GLY A 47 -9.977 -1.756 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.080 -0.532 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.917 -2.062 3.668 1.00 0.00 H new ATOM 656 N LYS A 48 -10.623 -1.093 5.847 1.00 0.00 N ATOM 657 CA LYS A 48 -10.333 -0.980 7.271 1.00 0.00 C ATOM 658 C LYS A 48 -8.974 -0.328 7.500 1.00 0.00 C ATOM 659 O LYS A 48 -8.139 -0.274 6.597 1.00 0.00 O ATOM 660 CB LYS A 48 -10.367 -2.361 7.931 1.00 0.00 C ATOM 661 CG LYS A 48 -9.416 -3.361 7.296 1.00 0.00 C ATOM 662 CD LYS A 48 -9.823 -4.792 7.607 1.00 0.00 C ATOM 663 CE LYS A 48 -10.970 -5.250 6.720 1.00 0.00 C ATOM 664 NZ LYS A 48 -10.483 -5.851 5.448 1.00 0.00 N ATOM 0 H LYS A 48 -9.836 -0.868 5.238 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.099 -0.349 7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.119 -2.256 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.382 -2.754 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.399 -3.213 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.404 -3.183 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.968 -5.453 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.118 -4.868 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.576 -5.980 7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.617 -4.402 6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.052 -5.492 4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.486 -5.595 5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.571 -6.886 5.497 1.00 0.00 H new ATOM 678 N THR A 49 -8.756 0.165 8.716 1.00 0.00 N ATOM 679 CA THR A 49 -7.498 0.812 9.064 1.00 0.00 C ATOM 680 C THR A 49 -6.430 -0.216 9.420 1.00 0.00 C ATOM 681 O THR A 49 -6.467 -0.817 10.494 1.00 0.00 O ATOM 682 CB THR A 49 -7.674 1.784 10.246 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.808 2.629 10.021 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.429 2.638 10.435 1.00 0.00 C ATOM 0 H THR A 49 -9.435 0.128 9.476 1.00 0.00 H new ATOM 0 HA THR A 49 -7.179 1.374 8.186 1.00 0.00 H new ATOM 0 HB THR A 49 -7.833 1.196 11.150 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.914 3.243 10.778 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.577 3.316 11.275 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.573 1.994 10.635 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.244 3.217 9.530 1.00 0.00 H new ATOM 692 N VAL A 50 -5.478 -0.413 8.514 1.00 0.00 N ATOM 693 CA VAL A 50 -4.399 -1.367 8.734 1.00 0.00 C ATOM 694 C VAL A 50 -3.210 -0.704 9.420 1.00 0.00 C ATOM 695 O VAL A 50 -3.131 0.521 9.502 1.00 0.00 O ATOM 696 CB VAL A 50 -3.927 -1.997 7.410 1.00 0.00 C ATOM 697 CG1 VAL A 50 -5.091 -2.659 6.689 1.00 0.00 C ATOM 698 CG2 VAL A 50 -3.269 -0.947 6.526 1.00 0.00 C ATOM 0 H VAL A 50 -5.432 0.076 7.620 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.797 -2.150 9.379 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.187 -2.765 7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.738 -3.098 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.514 -3.440 7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.856 -1.914 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.941 -1.409 5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.986 -0.156 6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.408 -0.523 7.043 1.00 0.00 H new ATOM 772 N PHE A 56 0.658 -4.424 7.536 1.00 0.00 N ATOM 773 CA PHE A 56 0.623 -3.141 6.844 1.00 0.00 C ATOM 774 C PHE A 56 1.370 -2.074 7.639 1.00 0.00 C ATOM 775 O PHE A 56 0.819 -1.019 7.951 1.00 0.00 O ATOM 776 CB PHE A 56 -0.824 -2.701 6.613 1.00 0.00 C ATOM 777 CG PHE A 56 -1.706 -3.795 6.082 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.193 -4.781 6.924 1.00 0.00 C ATOM 779 CD2 PHE A 56 -2.047 -3.837 4.739 1.00 0.00 C ATOM 780 CE1 PHE A 56 -3.004 -5.789 6.438 1.00 0.00 C ATOM 781 CE2 PHE A 56 -2.858 -4.842 4.248 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.337 -5.820 5.098 1.00 0.00 C ATOM 0 HA PHE A 56 1.116 -3.263 5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.238 -2.335 7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.834 -1.865 5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.936 -4.762 7.973 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.675 -3.076 4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.377 -6.552 7.105 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.117 -4.863 3.200 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.970 -6.607 4.716 1.00 0.00 H new ATOM 792 N GLN A 57 2.628 -2.358 7.961 1.00 0.00 N ATOM 793 CA GLN A 57 3.451 -1.423 8.721 1.00 0.00 C ATOM 794 C GLN A 57 3.689 -0.141 7.930 1.00 0.00 C ATOM 795 O GLN A 57 4.613 -0.062 7.120 1.00 0.00 O ATOM 796 CB GLN A 57 4.789 -2.068 9.084 1.00 0.00 C ATOM 797 CG GLN A 57 5.624 -1.237 10.045 1.00 0.00 C ATOM 798 CD GLN A 57 4.851 -0.823 11.282 1.00 0.00 C ATOM 799 OE1 GLN A 57 4.034 -1.584 11.801 1.00 0.00 O ATOM 800 NE2 GLN A 57 5.106 0.388 11.762 1.00 0.00 N ATOM 0 H GLN A 57 3.099 -3.226 7.708 1.00 0.00 H new ATOM 0 HA GLN A 57 2.918 -1.169 9.637 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.603 -3.045 9.529 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.361 -2.237 8.172 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.503 -1.808 10.345 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.984 -0.346 9.531 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.791 0.986 11.300 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.617 0.721 12.593 1.00 0.00 H new ATOM 809 N ALA A 58 2.849 0.861 8.169 1.00 0.00 N ATOM 810 CA ALA A 58 2.970 2.140 7.481 1.00 0.00 C ATOM 811 C ALA A 58 4.239 2.873 7.902 1.00 0.00 C ATOM 812 O ALA A 58 4.401 3.236 9.068 1.00 0.00 O ATOM 813 CB ALA A 58 1.746 3.002 7.750 1.00 0.00 C ATOM 0 H ALA A 58 2.077 0.811 8.834 1.00 0.00 H new ATOM 0 HA ALA A 58 3.034 1.944 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.850 3.954 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.854 2.489 7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.656 3.182 8.821 1.00 0.00 H new ATOM 819 N THR A 59 5.138 3.088 6.947 1.00 0.00 N ATOM 820 CA THR A 59 6.393 3.776 7.220 1.00 0.00 C ATOM 821 C THR A 59 6.663 4.860 6.182 1.00 0.00 C ATOM 822 O THR A 59 5.858 5.080 5.277 1.00 0.00 O ATOM 823 CB THR A 59 7.579 2.794 7.240 1.00 0.00 C ATOM 824 OG1 THR A 59 7.753 2.208 5.945 1.00 0.00 O ATOM 825 CG2 THR A 59 7.357 1.698 8.272 1.00 0.00 C ATOM 0 H THR A 59 5.020 2.795 5.977 1.00 0.00 H new ATOM 0 HA THR A 59 6.294 4.235 8.204 1.00 0.00 H new ATOM 0 HB THR A 59 8.477 3.350 7.510 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.583 2.541 5.544 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.208 1.017 8.268 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.255 2.145 9.261 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.449 1.147 8.028 1.00 0.00 H new ATOM 833 N ARG A 60 7.801 5.533 6.318 1.00 0.00 N ATOM 834 CA ARG A 60 8.176 6.594 5.392 1.00 0.00 C ATOM 835 C ARG A 60 9.689 6.635 5.195 1.00 0.00 C ATOM 836 O ARG A 60 10.451 6.343 6.116 1.00 0.00 O ATOM 837 CB ARG A 60 7.682 7.948 5.906 1.00 0.00 C ATOM 838 CG ARG A 60 8.677 8.657 6.810 1.00 0.00 C ATOM 839 CD ARG A 60 7.975 9.565 7.807 1.00 0.00 C ATOM 840 NE ARG A 60 8.794 9.816 8.990 1.00 0.00 N ATOM 841 CZ ARG A 60 8.590 10.831 9.823 1.00 0.00 C ATOM 842 NH1 ARG A 60 7.600 11.685 9.603 1.00 0.00 N ATOM 843 NH2 ARG A 60 9.378 10.992 10.878 1.00 0.00 N ATOM 0 H ARG A 60 8.479 5.362 7.061 1.00 0.00 H new ATOM 0 HA ARG A 60 7.707 6.384 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.456 8.590 5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.749 7.802 6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.274 7.919 7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.366 9.245 6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.733 10.513 7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.031 9.111 8.109 1.00 0.00 H new ATOM 0 HE ARG A 60 9.564 9.177 9.187 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.993 11.564 8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.446 12.463 10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.141 10.337 11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.221 11.771 11.517 1.00 0.00 H new ATOM 857 N GLN A 61 10.114 6.997 3.990 1.00 0.00 N ATOM 858 CA GLN A 61 11.536 7.074 3.673 1.00 0.00 C ATOM 859 C GLN A 61 11.822 8.242 2.734 1.00 0.00 C ATOM 860 O GLN A 61 11.518 8.182 1.543 1.00 0.00 O ATOM 861 CB GLN A 61 12.010 5.766 3.038 1.00 0.00 C ATOM 862 CG GLN A 61 13.421 5.838 2.479 1.00 0.00 C ATOM 863 CD GLN A 61 14.480 5.835 3.563 1.00 0.00 C ATOM 864 OE1 GLN A 61 14.179 5.634 4.740 1.00 0.00 O ATOM 865 NE2 GLN A 61 15.729 6.058 3.173 1.00 0.00 N ATOM 0 H GLN A 61 9.495 7.242 3.217 1.00 0.00 H new ATOM 0 HA GLN A 61 12.081 7.237 4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.963 4.972 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.324 5.491 2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.587 4.992 1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.524 6.742 1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.934 6.220 2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.484 6.067 3.859 1.00 0.00 H new ATOM 874 N GLY A 62 12.408 9.303 3.279 1.00 0.00 N ATOM 875 CA GLY A 62 12.725 10.470 2.476 1.00 0.00 C ATOM 876 C GLY A 62 11.621 10.816 1.496 1.00 0.00 C ATOM 877 O GLY A 62 11.739 10.552 0.299 1.00 0.00 O ATOM 0 H GLY A 62 12.669 9.376 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.904 11.321 3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.650 10.290 1.928 1.00 0.00 H new ATOM 881 N ARG A 63 10.545 11.408 2.004 1.00 0.00 N ATOM 882 CA ARG A 63 9.415 11.788 1.166 1.00 0.00 C ATOM 883 C ARG A 63 8.835 10.571 0.451 1.00 0.00 C ATOM 884 O ARG A 63 8.665 10.577 -0.769 1.00 0.00 O ATOM 885 CB ARG A 63 9.843 12.839 0.140 1.00 0.00 C ATOM 886 CG ARG A 63 8.681 13.465 -0.613 1.00 0.00 C ATOM 887 CD ARG A 63 7.775 14.255 0.318 1.00 0.00 C ATOM 888 NE ARG A 63 6.866 13.388 1.064 1.00 0.00 N ATOM 889 CZ ARG A 63 6.189 13.782 2.137 1.00 0.00 C ATOM 890 NH1 ARG A 63 6.317 15.022 2.587 1.00 0.00 N ATOM 891 NH2 ARG A 63 5.382 12.934 2.761 1.00 0.00 N ATOM 0 H ARG A 63 10.432 11.635 2.992 1.00 0.00 H new ATOM 0 HA ARG A 63 8.644 12.212 1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.400 13.625 0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.523 12.379 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.064 14.122 -1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.104 12.684 -1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.385 14.828 1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.196 14.973 -0.263 1.00 0.00 H new ATOM 0 HE ARG A 63 6.744 12.427 0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.936 15.677 2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.796 15.322 3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.281 11.979 2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.862 13.237 3.585 1.00 0.00 H new ATOM 905 N LYS A 64 8.533 9.529 1.217 1.00 0.00 N ATOM 906 CA LYS A 64 7.972 8.305 0.659 1.00 0.00 C ATOM 907 C LYS A 64 7.083 7.599 1.678 1.00 0.00 C ATOM 908 O LYS A 64 7.134 7.897 2.872 1.00 0.00 O ATOM 909 CB LYS A 64 9.093 7.365 0.207 1.00 0.00 C ATOM 910 CG LYS A 64 8.591 6.098 -0.464 1.00 0.00 C ATOM 911 CD LYS A 64 9.740 5.236 -0.958 1.00 0.00 C ATOM 912 CE LYS A 64 10.394 5.834 -2.194 1.00 0.00 C ATOM 913 NZ LYS A 64 11.672 5.148 -2.532 1.00 0.00 N ATOM 0 H LYS A 64 8.668 9.508 2.228 1.00 0.00 H new ATOM 0 HA LYS A 64 7.362 8.575 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.746 7.898 -0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.698 7.093 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.984 5.528 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.945 6.360 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.483 5.130 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.373 4.235 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.709 5.762 -3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.584 6.894 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.087 5.585 -3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.336 5.238 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.487 4.141 -2.716 1.00 0.00 H new ATOM 927 N TYR A 65 6.271 6.663 1.200 1.00 0.00 N ATOM 928 CA TYR A 65 5.370 5.916 2.070 1.00 0.00 C ATOM 929 C TYR A 65 5.379 4.432 1.717 1.00 0.00 C ATOM 930 O TYR A 65 4.825 4.021 0.697 1.00 0.00 O ATOM 931 CB TYR A 65 3.948 6.469 1.962 1.00 0.00 C ATOM 932 CG TYR A 65 3.805 7.880 2.485 1.00 0.00 C ATOM 933 CD1 TYR A 65 3.892 8.150 3.845 1.00 0.00 C ATOM 934 CD2 TYR A 65 3.584 8.944 1.619 1.00 0.00 C ATOM 935 CE1 TYR A 65 3.762 9.438 4.328 1.00 0.00 C ATOM 936 CE2 TYR A 65 3.454 10.235 2.093 1.00 0.00 C ATOM 937 CZ TYR A 65 3.543 10.477 3.448 1.00 0.00 C ATOM 938 OH TYR A 65 3.414 11.761 3.924 1.00 0.00 O ATOM 0 H TYR A 65 6.218 6.403 0.215 1.00 0.00 H new ATOM 0 HA TYR A 65 5.719 6.029 3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.636 6.444 0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.271 5.816 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.064 7.339 4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.513 8.759 0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.831 9.630 5.389 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.284 11.051 1.406 1.00 0.00 H new ATOM 0 HH TYR A 65 3.942 11.861 4.744 1.00 0.00 H new ATOM 948 N ILE A 66 6.012 3.632 2.569 1.00 0.00 N ATOM 949 CA ILE A 66 6.092 2.193 2.350 1.00 0.00 C ATOM 950 C ILE A 66 5.067 1.450 3.200 1.00 0.00 C ATOM 951 O ILE A 66 4.997 1.638 4.415 1.00 0.00 O ATOM 952 CB ILE A 66 7.497 1.652 2.671 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.553 2.393 1.849 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.563 0.156 2.403 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.085 3.637 2.527 1.00 0.00 C ATOM 0 H ILE A 66 6.477 3.956 3.417 1.00 0.00 H new ATOM 0 HA ILE A 66 5.878 2.022 1.295 1.00 0.00 H new ATOM 0 HB ILE A 66 7.702 1.821 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.383 1.717 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.124 2.669 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.563 -0.211 2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.833 -0.358 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.340 -0.036 1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.829 4.110 1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.265 4.333 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.544 3.365 3.477 1.00 0.00 H new ATOM 967 N LEU A 67 4.274 0.603 2.553 1.00 0.00 N ATOM 968 CA LEU A 67 3.252 -0.172 3.249 1.00 0.00 C ATOM 969 C LEU A 67 3.588 -1.660 3.227 1.00 0.00 C ATOM 970 O LEU A 67 3.253 -2.369 2.278 1.00 0.00 O ATOM 971 CB LEU A 67 1.882 0.063 2.610 1.00 0.00 C ATOM 972 CG LEU A 67 0.749 -0.839 3.101 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.163 -0.301 4.397 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.331 -0.966 2.037 1.00 0.00 C ATOM 0 H LEU A 67 4.319 0.435 1.548 1.00 0.00 H new ATOM 0 HA LEU A 67 3.223 0.160 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.595 1.100 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.980 -0.064 1.532 1.00 0.00 H new ATOM 0 HG LEU A 67 1.158 -1.831 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.642 -0.955 4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.941 -0.263 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.230 0.702 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.129 -1.611 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.737 0.020 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.098 -1.398 1.133 1.00 0.00 H new ATOM 986 N VAL A 68 4.251 -2.127 4.281 1.00 0.00 N ATOM 987 CA VAL A 68 4.629 -3.531 4.384 1.00 0.00 C ATOM 988 C VAL A 68 3.416 -4.408 4.674 1.00 0.00 C ATOM 989 O VAL A 68 3.064 -4.637 5.832 1.00 0.00 O ATOM 990 CB VAL A 68 5.682 -3.749 5.487 1.00 0.00 C ATOM 991 CG1 VAL A 68 6.035 -5.224 5.605 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.923 -2.915 5.211 1.00 0.00 C ATOM 0 H VAL A 68 4.537 -1.554 5.075 1.00 0.00 H new ATOM 0 HA VAL A 68 5.056 -3.815 3.422 1.00 0.00 H new ATOM 0 HB VAL A 68 5.259 -3.425 6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.780 -5.358 6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.140 -5.794 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.439 -5.579 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.656 -3.081 6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.351 -3.205 4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.653 -1.859 5.183 1.00 0.00 H new ATOM 1002 N VAL A 69 2.779 -4.896 3.615 1.00 0.00 N ATOM 1003 CA VAL A 69 1.605 -5.750 3.755 1.00 0.00 C ATOM 1004 C VAL A 69 2.003 -7.180 4.100 1.00 0.00 C ATOM 1005 O VAL A 69 2.723 -7.834 3.345 1.00 0.00 O ATOM 1006 CB VAL A 69 0.761 -5.759 2.467 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.438 -6.683 2.621 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.315 -4.349 2.112 1.00 0.00 C ATOM 0 H VAL A 69 3.056 -4.715 2.650 1.00 0.00 H new ATOM 0 HA VAL A 69 1.008 -5.337 4.568 1.00 0.00 H new ATOM 0 HB VAL A 69 1.378 -6.136 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.023 -6.677 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.092 -7.697 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.059 -6.339 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.280 -4.375 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.285 -3.942 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.191 -3.719 1.957 1.00 0.00 H new ATOM 1018 N ARG A 70 1.530 -7.661 5.245 1.00 0.00 N ATOM 1019 CA ARG A 70 1.837 -9.015 5.690 1.00 0.00 C ATOM 1020 C ARG A 70 0.563 -9.841 5.838 1.00 0.00 C ATOM 1021 O ARG A 70 -0.514 -9.299 6.082 1.00 0.00 O ATOM 1022 CB ARG A 70 2.591 -8.978 7.020 1.00 0.00 C ATOM 1023 CG ARG A 70 4.032 -8.513 6.891 1.00 0.00 C ATOM 1024 CD ARG A 70 4.832 -8.817 8.148 1.00 0.00 C ATOM 1025 NE ARG A 70 5.356 -10.180 8.147 1.00 0.00 N ATOM 1026 CZ ARG A 70 6.326 -10.594 7.339 1.00 0.00 C ATOM 1027 NH1 ARG A 70 6.875 -9.754 6.473 1.00 0.00 N ATOM 1028 NH2 ARG A 70 6.749 -11.850 7.397 1.00 0.00 N ATOM 0 H ARG A 70 0.933 -7.133 5.881 1.00 0.00 H new ATOM 0 HA ARG A 70 2.468 -9.485 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.065 -8.316 7.708 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.578 -9.974 7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.498 -9.002 6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.053 -7.441 6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.658 -8.111 8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.200 -8.672 9.024 1.00 0.00 H new ATOM 0 HE ARG A 70 4.955 -10.851 8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.553 -8.787 6.426 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.620 -10.074 5.854 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.329 -12.499 8.062 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.494 -12.167 6.776 1.00 0.00 H new ATOM 1042 N GLU A 71 0.695 -11.155 5.689 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.447 -12.055 5.805 1.00 0.00 C ATOM 1044 C GLU A 71 -1.618 -11.560 4.960 1.00 0.00 C ATOM 1045 O GLU A 71 -2.762 -11.551 5.412 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.877 -12.183 7.267 1.00 0.00 C ATOM 1047 CG GLU A 71 -1.456 -13.544 7.615 1.00 0.00 C ATOM 1048 CD GLU A 71 -1.917 -13.631 9.057 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -1.226 -13.072 9.935 1.00 0.00 O ATOM 1050 OE2 GLU A 71 -2.967 -14.258 9.308 1.00 0.00 O ATOM 0 H GLU A 71 1.580 -11.620 5.488 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.144 -13.035 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.017 -11.989 7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.619 -11.415 7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.297 -13.756 6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.705 -14.312 7.431 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.321 -11.149 3.732 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.348 -10.655 2.823 1.00 0.00 C ATOM 1059 C ALA A 72 -3.570 -11.567 2.826 1.00 0.00 C ATOM 1060 O ALA A 72 -3.470 -12.753 3.141 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.788 -10.524 1.414 1.00 0.00 C ATOM 0 H ALA A 72 -0.378 -11.148 3.344 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.662 -9.671 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.566 -10.154 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.951 -9.825 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.445 -11.499 1.067 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.722 -11.006 2.475 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.963 -11.770 2.437 1.00 0.00 C ATOM 1069 C ALA A 73 -6.677 -11.591 1.101 1.00 0.00 C ATOM 1070 O ALA A 73 -6.557 -10.560 0.439 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.873 -11.356 3.584 1.00 0.00 C ATOM 0 H ALA A 73 -4.822 -10.025 2.213 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.715 -12.826 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.796 -11.935 3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.370 -11.542 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.106 -10.295 3.499 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.438 -12.617 0.694 1.00 0.00 N ATOM 1078 CA PRO A 74 -8.186 -12.596 -0.567 1.00 0.00 C ATOM 1079 C PRO A 74 -9.354 -11.617 -0.531 1.00 0.00 C ATOM 1080 O PRO A 74 -9.807 -11.138 -1.571 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.697 -14.033 -0.699 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.757 -14.545 0.699 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.628 -13.877 1.433 1.00 0.00 C ATOM 0 HA PRO A 74 -7.567 -12.270 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.678 -14.062 -1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.028 -14.636 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.716 -14.309 1.160 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.650 -15.630 0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.880 -13.696 2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.726 -14.488 1.424 1.00 0.00 H new ATOM 1091 N SER A 75 -9.837 -11.322 0.671 1.00 0.00 N ATOM 1092 CA SER A 75 -10.955 -10.401 0.841 1.00 0.00 C ATOM 1093 C SER A 75 -10.505 -8.957 0.641 1.00 0.00 C ATOM 1094 O SER A 75 -11.088 -8.218 -0.152 1.00 0.00 O ATOM 1095 CB SER A 75 -11.573 -10.567 2.231 1.00 0.00 C ATOM 1096 OG SER A 75 -12.037 -11.891 2.428 1.00 0.00 O ATOM 0 H SER A 75 -9.472 -11.707 1.542 1.00 0.00 H new ATOM 0 HA SER A 75 -11.706 -10.637 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.834 -10.320 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.400 -9.867 2.351 1.00 0.00 H new ATOM 0 HG SER A 75 -12.426 -11.971 3.324 1.00 0.00 H new ATOM 1102 N ASP A 76 -9.465 -8.563 1.367 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.934 -7.208 1.270 1.00 0.00 C ATOM 1104 C ASP A 76 -8.800 -6.780 -0.189 1.00 0.00 C ATOM 1105 O ASP A 76 -9.042 -5.623 -0.531 1.00 0.00 O ATOM 1106 CB ASP A 76 -7.576 -7.117 1.967 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.706 -6.940 3.467 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.862 -7.958 4.173 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -7.654 -5.783 3.935 1.00 0.00 O ATOM 0 H ASP A 76 -8.973 -9.162 2.029 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.633 -6.535 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.003 -8.021 1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.014 -6.280 1.553 1.00 0.00 H new ATOM 1114 N ALA A 77 -8.413 -7.721 -1.043 1.00 0.00 N ATOM 1115 CA ALA A 77 -8.248 -7.442 -2.464 1.00 0.00 C ATOM 1116 C ALA A 77 -9.418 -6.627 -3.003 1.00 0.00 C ATOM 1117 O ALA A 77 -10.577 -7.016 -2.859 1.00 0.00 O ATOM 1118 CB ALA A 77 -8.102 -8.741 -3.243 1.00 0.00 C ATOM 0 H ALA A 77 -8.208 -8.684 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.340 -6.852 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.980 -8.518 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.228 -9.285 -2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.993 -9.352 -3.102 1.00 0.00 H new ATOM 1124 N GLY A 78 -9.108 -5.494 -3.625 1.00 0.00 N ATOM 1125 CA GLY A 78 -10.146 -4.642 -4.176 1.00 0.00 C ATOM 1126 C GLY A 78 -9.613 -3.296 -4.625 1.00 0.00 C ATOM 1127 O GLY A 78 -9.645 -2.974 -5.812 1.00 0.00 O ATOM 0 H GLY A 78 -8.157 -5.151 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.613 -5.145 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.923 -4.490 -3.427 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.124 -2.507 -3.673 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.585 -1.187 -3.978 1.00 0.00 C ATOM 1133 C GLU A 79 -7.784 -0.641 -2.800 1.00 0.00 C ATOM 1134 O GLU A 79 -8.225 -0.704 -1.652 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.716 -0.219 -4.332 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.287 0.905 -5.261 1.00 0.00 C ATOM 1137 CD GLU A 79 -9.414 0.532 -6.725 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -9.069 -0.615 -7.078 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -9.859 1.388 -7.518 1.00 0.00 O ATOM 0 H GLU A 79 -9.090 -2.759 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.918 -1.284 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.527 -0.777 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.115 0.212 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.894 1.788 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.253 1.174 -5.047 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.603 -0.105 -3.092 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.740 0.453 -2.058 1.00 0.00 C ATOM 1148 C VAL A 80 -5.752 1.977 -2.095 1.00 0.00 C ATOM 1149 O VAL A 80 -5.161 2.592 -2.982 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.289 -0.041 -2.211 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.515 0.164 -0.918 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.266 -1.504 -2.629 1.00 0.00 C ATOM 0 H VAL A 80 -6.222 -0.046 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.133 0.112 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.805 0.545 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.492 -0.191 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.502 1.224 -0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.995 -0.394 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.233 -1.837 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.767 -2.107 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.781 -1.618 -3.583 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.430 2.582 -1.125 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.519 4.035 -1.045 1.00 0.00 C ATOM 1164 C VAL A 81 -5.543 4.589 -0.013 1.00 0.00 C ATOM 1165 O VAL A 81 -5.433 4.066 1.097 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.945 4.491 -0.684 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -8.045 6.009 -0.717 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.960 3.862 -1.626 1.00 0.00 C ATOM 0 H VAL A 81 -6.926 2.088 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.260 4.423 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.168 4.158 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.060 6.312 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.345 6.435 0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.802 6.368 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.962 4.195 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.741 4.163 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.905 2.776 -1.547 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.837 5.651 -0.385 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.869 6.277 0.509 1.00 0.00 C ATOM 1180 C PHE A 82 -4.035 7.794 0.514 1.00 0.00 C ATOM 1181 O PHE A 82 -3.749 8.464 -0.478 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.444 5.910 0.089 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.398 6.831 0.650 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.077 8.013 0.002 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.736 6.514 1.825 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.115 8.861 0.516 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.227 7.359 2.344 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.537 8.535 1.689 1.00 0.00 C ATOM 0 H PHE A 82 -4.917 6.097 -1.299 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.050 5.906 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.230 4.891 0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.380 5.921 -0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.584 8.274 -0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.975 5.596 2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.127 9.779 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.736 7.100 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.288 9.198 2.093 1.00 0.00 H new ATOM 1198 N SER A 83 -4.500 8.328 1.639 1.00 0.00 N ATOM 1199 CA SER A 83 -4.709 9.765 1.773 1.00 0.00 C ATOM 1200 C SER A 83 -3.591 10.402 2.592 1.00 0.00 C ATOM 1201 O SER A 83 -3.153 9.851 3.602 1.00 0.00 O ATOM 1202 CB SER A 83 -6.062 10.046 2.430 1.00 0.00 C ATOM 1203 OG SER A 83 -6.277 11.438 2.580 1.00 0.00 O ATOM 0 H SER A 83 -4.739 7.787 2.470 1.00 0.00 H new ATOM 0 HA SER A 83 -4.700 10.203 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.860 9.615 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.104 9.561 3.405 1.00 0.00 H new ATOM 0 HG SER A 83 -5.894 11.913 1.813 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.133 11.569 2.150 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.067 12.284 2.841 1.00 0.00 C ATOM 1211 C VAL A 84 -2.207 13.791 2.658 1.00 0.00 C ATOM 1212 O VAL A 84 -2.427 14.274 1.547 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.679 11.844 2.339 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.436 12.353 0.926 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.409 12.331 3.284 1.00 0.00 C ATOM 0 H VAL A 84 -3.484 12.039 1.316 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.157 12.040 3.899 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.649 10.755 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.549 12.032 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.197 11.950 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.486 13.442 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.383 12.011 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.382 13.419 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.243 11.912 4.277 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.077 14.529 3.755 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.189 15.982 3.716 1.00 0.00 C ATOM 1227 C ARG A 85 -3.317 16.415 2.784 1.00 0.00 C ATOM 1228 O ARG A 85 -3.280 17.503 2.212 1.00 0.00 O ATOM 1229 CB ARG A 85 -0.869 16.605 3.260 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.548 16.349 1.796 1.00 0.00 C ATOM 1231 CD ARG A 85 0.682 17.125 1.351 1.00 0.00 C ATOM 1232 NE ARG A 85 0.347 18.478 0.914 1.00 0.00 N ATOM 1233 CZ ARG A 85 0.299 19.523 1.731 1.00 0.00 C ATOM 1234 NH1 ARG A 85 0.563 19.373 3.022 1.00 0.00 N ATOM 1235 NH2 ARG A 85 -0.014 20.723 1.258 1.00 0.00 N ATOM 0 H ARG A 85 -1.894 14.145 4.682 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.418 16.331 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.906 17.681 3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.060 16.211 3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.383 15.283 1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.401 16.633 1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.396 17.176 2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.172 16.592 0.536 1.00 0.00 H new ATOM 0 HE ARG A 85 0.139 18.628 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.804 18.453 3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.525 20.178 3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.218 20.843 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.051 21.525 1.887 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.320 15.554 2.637 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.444 15.865 1.774 1.00 0.00 C ATOM 1251 C GLY A 86 -5.467 15.011 0.522 1.00 0.00 C ATOM 1252 O GLY A 86 -6.510 14.472 0.148 1.00 0.00 O ATOM 0 H GLY A 86 -4.374 14.647 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.373 15.720 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.401 16.917 1.492 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.316 14.887 -0.129 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.208 14.093 -1.348 1.00 0.00 C ATOM 1258 C LEU A 87 -4.748 12.683 -1.129 1.00 0.00 C ATOM 1259 O LEU A 87 -4.924 12.242 0.007 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.751 14.026 -1.810 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.168 15.321 -2.378 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.648 15.294 -2.315 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.640 15.536 -3.808 1.00 0.00 C ATOM 0 H LEU A 87 -3.444 15.326 0.167 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.806 14.576 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.137 13.714 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.667 13.249 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.522 16.154 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.250 16.223 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.329 15.187 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.275 14.452 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.215 16.462 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.315 14.700 -4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.728 15.600 -3.826 1.00 0.00 H new ATOM 1275 N THR A 88 -5.009 11.978 -2.226 1.00 0.00 N ATOM 1276 CA THR A 88 -5.529 10.618 -2.155 1.00 0.00 C ATOM 1277 C THR A 88 -5.246 9.854 -3.443 1.00 0.00 C ATOM 1278 O THR A 88 -5.505 10.349 -4.540 1.00 0.00 O ATOM 1279 CB THR A 88 -7.046 10.609 -1.888 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.364 11.533 -0.841 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.519 9.216 -1.504 1.00 0.00 C ATOM 0 H THR A 88 -4.869 12.327 -3.174 1.00 0.00 H new ATOM 0 HA THR A 88 -5.020 10.128 -1.325 1.00 0.00 H new ATOM 0 HB THR A 88 -7.556 10.909 -2.803 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.612 11.590 -0.215 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.593 9.234 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.301 8.521 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.002 8.892 -0.601 1.00 0.00 H new ATOM 1289 N SER A 89 -4.714 8.644 -3.303 1.00 0.00 N ATOM 1290 CA SER A 89 -4.393 7.811 -4.457 1.00 0.00 C ATOM 1291 C SER A 89 -5.211 6.523 -4.441 1.00 0.00 C ATOM 1292 O SER A 89 -5.902 6.224 -3.468 1.00 0.00 O ATOM 1293 CB SER A 89 -2.900 7.481 -4.474 1.00 0.00 C ATOM 1294 OG SER A 89 -2.482 6.941 -3.232 1.00 0.00 O ATOM 0 H SER A 89 -4.496 8.218 -2.402 1.00 0.00 H new ATOM 0 HA SER A 89 -4.644 8.369 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.691 6.769 -5.272 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.328 8.382 -4.693 1.00 0.00 H new ATOM 0 HG SER A 89 -1.524 6.737 -3.270 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.127 5.764 -5.529 1.00 0.00 N ATOM 1301 CA LYS A 90 -5.857 4.507 -5.642 1.00 0.00 C ATOM 1302 C LYS A 90 -5.047 3.476 -6.422 1.00 0.00 C ATOM 1303 O LYS A 90 -4.256 3.828 -7.297 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.205 4.737 -6.328 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.227 5.431 -5.444 1.00 0.00 C ATOM 1306 CD LYS A 90 -8.139 6.942 -5.572 1.00 0.00 C ATOM 1307 CE LYS A 90 -9.488 7.601 -5.327 1.00 0.00 C ATOM 1308 NZ LYS A 90 -9.342 9.023 -4.907 1.00 0.00 N ATOM 0 H LYS A 90 -4.561 5.998 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.029 4.123 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.049 5.334 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.608 3.777 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.229 5.100 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.066 5.143 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.410 7.327 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.780 7.204 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.087 7.550 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.028 7.049 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.283 9.437 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.791 9.070 -4.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.849 9.556 -5.652 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.250 2.203 -6.100 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.541 1.122 -6.773 1.00 0.00 C ATOM 1324 C ALA A 91 -5.371 -0.158 -6.779 1.00 0.00 C ATOM 1325 O ALA A 91 -6.466 -0.202 -6.220 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.196 0.878 -6.106 1.00 0.00 C ATOM 0 H ALA A 91 -5.900 1.895 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.372 1.420 -7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.677 0.068 -6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.594 1.785 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.352 0.606 -5.062 1.00 0.00 H new ATOM 1332 N SER A 92 -4.841 -1.198 -7.416 1.00 0.00 N ATOM 1333 CA SER A 92 -5.535 -2.477 -7.499 1.00 0.00 C ATOM 1334 C SER A 92 -4.661 -3.605 -6.958 1.00 0.00 C ATOM 1335 O SER A 92 -3.664 -3.984 -7.574 1.00 0.00 O ATOM 1336 CB SER A 92 -5.931 -2.774 -8.947 1.00 0.00 C ATOM 1337 OG SER A 92 -6.588 -1.664 -9.533 1.00 0.00 O ATOM 0 H SER A 92 -3.934 -1.179 -7.882 1.00 0.00 H new ATOM 0 HA SER A 92 -6.436 -2.413 -6.889 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.042 -3.022 -9.527 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.585 -3.645 -8.977 1.00 0.00 H new ATOM 0 HG SER A 92 -6.829 -1.878 -10.458 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.042 -4.138 -5.803 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.295 -5.223 -5.177 1.00 0.00 C ATOM 1345 C LEU A 93 -4.913 -6.576 -5.514 1.00 0.00 C ATOM 1346 O LEU A 93 -6.076 -6.833 -5.201 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.254 -5.032 -3.660 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.699 -6.204 -2.850 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.227 -6.421 -3.166 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.897 -5.965 -1.360 1.00 0.00 C ATOM 0 H LEU A 93 -5.864 -3.836 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.277 -5.202 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.654 -4.149 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.266 -4.823 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.246 -7.105 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.849 -7.259 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.111 -6.639 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.665 -5.521 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.496 -6.810 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.376 -5.054 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.961 -5.860 -1.147 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.128 -7.437 -6.152 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.598 -8.765 -6.528 1.00 0.00 C ATOM 1364 C ILE A 94 -4.069 -9.827 -5.571 1.00 0.00 C ATOM 1365 O ILE A 94 -2.862 -9.942 -5.359 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.173 -9.126 -7.964 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.863 -8.204 -8.971 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.498 -10.582 -8.261 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.060 -7.979 -10.233 1.00 0.00 C ATOM 0 H ILE A 94 -3.164 -7.239 -6.419 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.686 -8.742 -6.474 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.095 -8.988 -8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.831 -8.629 -9.237 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.057 -7.242 -8.497 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.192 -10.823 -9.279 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.964 -11.224 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.571 -10.744 -8.157 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.610 -7.316 -10.901 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.102 -7.525 -9.979 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.888 -8.934 -10.730 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.981 -10.604 -4.995 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.607 -11.659 -4.061 1.00 0.00 C ATOM 1383 C VAL A 95 -5.248 -12.988 -4.448 1.00 0.00 C ATOM 1384 O VAL A 95 -6.404 -13.250 -4.117 1.00 0.00 O ATOM 1385 CB VAL A 95 -5.016 -11.305 -2.619 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.645 -12.431 -1.667 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.370 -9.997 -2.189 1.00 0.00 C ATOM 0 H VAL A 95 -5.984 -10.522 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.522 -11.754 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.098 -11.177 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.942 -12.163 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.159 -13.344 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.568 -12.594 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.670 -9.762 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.285 -10.094 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.691 -9.196 -2.855 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.489 -13.822 -5.151 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.984 -15.124 -5.584 1.00 0.00 C ATOM 1399 C ARG A 96 -4.707 -16.189 -4.527 1.00 0.00 C ATOM 1400 O ARG A 96 -3.579 -16.331 -4.057 1.00 0.00 O ATOM 1401 CB ARG A 96 -4.335 -15.524 -6.910 1.00 0.00 C ATOM 1402 CG ARG A 96 -4.571 -14.524 -8.030 1.00 0.00 C ATOM 1403 CD ARG A 96 -5.864 -14.816 -8.774 1.00 0.00 C ATOM 1404 NE ARG A 96 -5.864 -16.149 -9.370 1.00 0.00 N ATOM 1405 CZ ARG A 96 -6.948 -16.729 -9.873 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -8.113 -16.096 -9.853 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -6.868 -17.945 -10.398 1.00 0.00 N ATOM 0 H ARG A 96 -3.530 -13.620 -5.433 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.062 -15.048 -5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.262 -15.641 -6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.722 -16.496 -7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.607 -13.516 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.734 -14.553 -8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.706 -14.726 -8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.009 -14.070 -9.555 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.983 -16.663 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.179 -15.161 -9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.944 -16.544 -10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.974 -18.435 -10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.701 -18.390 -10.784 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.744 -16.934 -4.160 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.612 -17.986 -3.158 1.00 0.00 C ATOM 1423 C GLU A 97 -4.264 -18.689 -3.282 1.00 0.00 C ATOM 1424 O GLU A 97 -3.665 -18.721 -4.358 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.746 -19.003 -3.301 1.00 0.00 C ATOM 1426 CG GLU A 97 -7.141 -19.663 -1.991 1.00 0.00 C ATOM 1427 CD GLU A 97 -7.695 -21.061 -2.186 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -7.345 -21.702 -3.199 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -8.480 -21.514 -1.326 1.00 0.00 O ATOM 0 H GLU A 97 -6.684 -16.829 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.672 -17.524 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.618 -18.505 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.444 -19.774 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.272 -19.709 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.887 -19.047 -1.489 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.792 -19.251 -2.174 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.514 -19.952 -2.158 1.00 0.00 C ATOM 1438 C ARG A 98 -2.529 -21.133 -3.125 1.00 0.00 C ATOM 1439 O ARG A 98 -1.821 -21.134 -4.131 1.00 0.00 O ATOM 1440 CB ARG A 98 -2.194 -20.441 -0.744 1.00 0.00 C ATOM 1441 CG ARG A 98 -0.743 -20.855 -0.557 1.00 0.00 C ATOM 1442 CD ARG A 98 -0.425 -21.124 0.906 1.00 0.00 C ATOM 1443 NE ARG A 98 -0.819 -22.470 1.314 1.00 0.00 N ATOM 1444 CZ ARG A 98 -0.416 -23.044 2.442 1.00 0.00 C ATOM 1445 NH1 ARG A 98 0.389 -22.392 3.270 1.00 0.00 N ATOM 1446 NH2 ARG A 98 -0.817 -24.272 2.743 1.00 0.00 N ATOM 0 H ARG A 98 -4.275 -19.234 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.741 -19.253 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.432 -19.650 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.838 -21.288 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.540 -21.750 -1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.088 -20.070 -0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.644 -20.993 1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.938 -20.392 1.529 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.438 -22.998 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.700 -21.448 3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.697 -22.835 4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.435 -24.777 2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.507 -24.712 3.609 1.00 0.00 H new