USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 596 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 28 MET CE :methyl -134:sc= -1.07 (180deg=-1.24) USER MOD Set 1.2: A 33 SER OG : rot -140:sc= -0.76 USER MOD Single : A 9 THR OG1 : rot -24:sc= 0.735 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc=-0.00613 (180deg=-0.00613) USER MOD Single : A 13 TYR OH : rot 130:sc= 1.25 USER MOD Single : A 16 ASN : amide:sc= -0.562 X(o=-0.56,f=-0.072) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.164 K(o=0.16,f=-3.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 48:sc= 0.777 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.049) USER MOD Single : A 45 GLN : amide:sc= -1.27 K(o=-1.3,f=-6.3!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 23:sc= -7.81! USER MOD Single : A 51 TYR OH : rot 180:sc= -1.94! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -150:sc= -1.21 USER MOD Single : A 65 THR OG1 : rot -129:sc= -4.75! USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 9 12.659 -5.107 0.558 1.00 0.00 N ATOM 74 CA THR A 9 11.718 -4.009 0.417 1.00 0.00 C ATOM 75 C THR A 9 10.462 -4.474 -0.323 1.00 0.00 C ATOM 76 O THR A 9 10.372 -5.630 -0.735 1.00 0.00 O ATOM 77 CB THR A 9 12.440 -2.854 -0.279 1.00 0.00 C ATOM 78 OG1 THR A 9 13.140 -3.478 -1.352 1.00 0.00 O ATOM 79 CG2 THR A 9 13.548 -2.250 0.587 1.00 0.00 C ATOM 0 HA THR A 9 11.373 -3.657 1.389 1.00 0.00 H new ATOM 0 HB THR A 9 11.719 -2.079 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.298 -4.421 -1.135 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.029 -1.435 0.046 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.118 -1.868 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.287 -3.017 0.819 1.00 0.00 H new ATOM 87 N VAL A 10 9.524 -3.550 -0.469 1.00 0.00 N ATOM 88 CA VAL A 10 8.277 -3.851 -1.152 1.00 0.00 C ATOM 89 C VAL A 10 7.859 -2.645 -1.996 1.00 0.00 C ATOM 90 O VAL A 10 8.192 -1.507 -1.667 1.00 0.00 O ATOM 91 CB VAL A 10 7.212 -4.269 -0.137 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.819 -4.264 -0.771 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.536 -5.638 0.465 1.00 0.00 C ATOM 0 H VAL A 10 9.602 -2.593 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 10 8.407 -4.694 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 10 7.214 -3.538 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.080 -4.565 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.586 -3.261 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.798 -4.962 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.763 -5.912 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.575 -6.384 -0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.501 -5.594 0.969 1.00 0.00 H new ATOM 103 N LYS A 11 7.135 -2.934 -3.067 1.00 0.00 N ATOM 104 CA LYS A 11 6.668 -1.888 -3.960 1.00 0.00 C ATOM 105 C LYS A 11 5.282 -1.420 -3.509 1.00 0.00 C ATOM 106 O LYS A 11 4.364 -2.228 -3.374 1.00 0.00 O ATOM 107 CB LYS A 11 6.714 -2.363 -5.413 1.00 0.00 C ATOM 108 CG LYS A 11 7.530 -1.401 -6.279 1.00 0.00 C ATOM 109 CD LYS A 11 7.497 -1.824 -7.749 1.00 0.00 C ATOM 110 CE LYS A 11 8.172 -0.776 -8.636 1.00 0.00 C ATOM 111 NZ LYS A 11 7.413 -0.595 -9.894 1.00 0.00 N ATOM 0 H LYS A 11 6.860 -3.879 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 11 7.329 -1.023 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.152 -3.360 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.700 -2.441 -5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.134 -0.391 -6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.561 -1.375 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.000 -2.784 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.464 -1.965 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.236 0.173 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.193 -1.085 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.885 0.120 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.373 -1.498 -10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.447 -0.279 -9.674 1.00 0.00 H new ATOM 125 N VAL A 12 5.174 -0.118 -3.290 1.00 0.00 N ATOM 126 CA VAL A 12 3.916 0.467 -2.858 1.00 0.00 C ATOM 127 C VAL A 12 3.370 1.368 -3.967 1.00 0.00 C ATOM 128 O VAL A 12 3.892 2.458 -4.199 1.00 0.00 O ATOM 129 CB VAL A 12 4.110 1.202 -1.530 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.860 2.003 -1.160 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.487 0.228 -0.413 1.00 0.00 C ATOM 0 H VAL A 12 5.937 0.549 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 12 3.174 -0.311 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 12 4.935 1.904 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.024 2.516 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.654 2.737 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.010 1.327 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.619 0.777 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.694 -0.510 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.417 -0.278 -0.670 1.00 0.00 H new ATOM 141 N TYR A 13 2.327 0.880 -4.622 1.00 0.00 N ATOM 142 CA TYR A 13 1.705 1.628 -5.701 1.00 0.00 C ATOM 143 C TYR A 13 0.808 2.740 -5.152 1.00 0.00 C ATOM 144 O TYR A 13 -0.190 2.466 -4.486 1.00 0.00 O ATOM 145 CB TYR A 13 0.841 0.624 -6.467 1.00 0.00 C ATOM 146 CG TYR A 13 1.638 -0.329 -7.360 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.581 0.172 -8.234 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.413 -1.689 -7.291 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.331 -0.725 -9.074 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.164 -2.586 -8.131 1.00 0.00 C ATOM 151 CZ TYR A 13 3.085 -2.060 -8.982 1.00 0.00 C ATOM 152 OH TYR A 13 3.794 -2.907 -9.775 1.00 0.00 O ATOM 0 H TYR A 13 1.897 -0.024 -4.426 1.00 0.00 H new ATOM 0 HA TYR A 13 2.463 2.094 -6.331 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.263 0.038 -5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.127 1.170 -7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.756 1.236 -8.288 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.674 -2.080 -6.607 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.073 -0.347 -9.762 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.999 -3.652 -8.086 1.00 0.00 H new ATOM 0 HH TYR A 13 4.176 -3.625 -9.228 1.00 0.00 H new ATOM 162 N LEU A 14 1.195 3.971 -5.451 1.00 0.00 N ATOM 163 CA LEU A 14 0.439 5.125 -4.995 1.00 0.00 C ATOM 164 C LEU A 14 -0.680 5.424 -5.995 1.00 0.00 C ATOM 165 O LEU A 14 -0.661 4.926 -7.120 1.00 0.00 O ATOM 166 CB LEU A 14 1.372 6.312 -4.743 1.00 0.00 C ATOM 167 CG LEU A 14 1.969 6.409 -3.338 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.225 7.283 -3.336 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.926 6.901 -2.332 1.00 0.00 C ATOM 0 H LEU A 14 2.023 4.195 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.037 4.914 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.190 6.264 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.822 7.231 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 14 2.271 5.410 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.630 7.336 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.970 6.850 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.971 8.286 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.376 6.961 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.571 7.888 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.087 6.205 -2.308 1.00 0.00 H new ATOM 181 N PRO A 15 -1.652 6.256 -5.538 1.00 0.00 N ATOM 182 CA PRO A 15 -2.777 6.627 -6.380 1.00 0.00 C ATOM 183 C PRO A 15 -2.355 7.646 -7.441 1.00 0.00 C ATOM 184 O PRO A 15 -3.148 8.007 -8.309 1.00 0.00 O ATOM 185 CB PRO A 15 -3.825 7.168 -5.421 1.00 0.00 C ATOM 186 CG PRO A 15 -3.081 7.512 -4.141 1.00 0.00 C ATOM 187 CD PRO A 15 -1.707 6.865 -4.212 1.00 0.00 C ATOM 0 HA PRO A 15 -3.173 5.785 -6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.316 8.048 -5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.602 6.427 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.989 8.593 -4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.629 7.149 -3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.915 7.602 -4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.580 6.119 -3.428 1.00 0.00 H new ATOM 195 N ASN A 16 -1.108 8.081 -7.335 1.00 0.00 N ATOM 196 CA ASN A 16 -0.572 9.051 -8.274 1.00 0.00 C ATOM 197 C ASN A 16 0.107 8.313 -9.430 1.00 0.00 C ATOM 198 O ASN A 16 1.112 8.780 -9.964 1.00 0.00 O ATOM 199 CB ASN A 16 0.473 9.946 -7.605 1.00 0.00 C ATOM 200 CG ASN A 16 0.132 11.425 -7.796 1.00 0.00 C ATOM 201 OD1 ASN A 16 0.533 12.062 -8.756 1.00 0.00 O ATOM 202 ND2 ASN A 16 -0.629 11.933 -6.831 1.00 0.00 N ATOM 0 H ASN A 16 -0.454 7.779 -6.613 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.397 9.666 -8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.526 9.716 -6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.457 9.739 -8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.912 12.912 -6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.930 11.343 -6.055 1.00 0.00 H new ATOM 209 N LYS A 17 -0.469 7.173 -9.783 1.00 0.00 N ATOM 210 CA LYS A 17 0.068 6.367 -10.866 1.00 0.00 C ATOM 211 C LYS A 17 1.573 6.184 -10.661 1.00 0.00 C ATOM 212 O LYS A 17 2.307 5.931 -11.615 1.00 0.00 O ATOM 213 CB LYS A 17 -0.299 6.976 -12.220 1.00 0.00 C ATOM 214 CG LYS A 17 0.373 8.338 -12.409 1.00 0.00 C ATOM 215 CD LYS A 17 0.294 8.790 -13.868 1.00 0.00 C ATOM 216 CE LYS A 17 1.567 9.532 -14.282 1.00 0.00 C ATOM 217 NZ LYS A 17 1.276 10.497 -15.365 1.00 0.00 N ATOM 0 H LYS A 17 -1.302 6.789 -9.338 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.378 5.373 -10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.006 6.302 -13.021 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.381 7.087 -12.291 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.109 9.077 -11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.416 8.279 -12.099 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.147 7.924 -14.513 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.571 9.439 -14.005 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.985 10.056 -13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.319 8.817 -14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.151 10.992 -15.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.898 9.989 -16.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.575 11.190 -15.034 1.00 0.00 H new ATOM 231 N GLN A 18 1.989 6.318 -9.410 1.00 0.00 N ATOM 232 CA GLN A 18 3.393 6.170 -9.068 1.00 0.00 C ATOM 233 C GLN A 18 3.584 4.999 -8.102 1.00 0.00 C ATOM 234 O GLN A 18 2.615 4.359 -7.698 1.00 0.00 O ATOM 235 CB GLN A 18 3.953 7.466 -8.477 1.00 0.00 C ATOM 236 CG GLN A 18 4.502 8.378 -9.575 1.00 0.00 C ATOM 237 CD GLN A 18 6.025 8.493 -9.482 1.00 0.00 C ATOM 238 OE1 GLN A 18 6.767 7.849 -10.205 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.447 9.347 -8.554 1.00 0.00 N ATOM 0 H GLN A 18 1.378 6.528 -8.621 1.00 0.00 H new ATOM 0 HA GLN A 18 3.949 5.956 -9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.170 7.986 -7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.744 7.233 -7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.222 7.985 -10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.053 9.368 -9.489 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.771 9.854 -7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.446 9.495 -8.414 1.00 0.00 H new ATOM 248 N ARG A 19 4.841 4.754 -7.760 1.00 0.00 N ATOM 249 CA ARG A 19 5.171 3.671 -6.850 1.00 0.00 C ATOM 250 C ARG A 19 6.318 4.086 -5.926 1.00 0.00 C ATOM 251 O ARG A 19 7.155 4.906 -6.299 1.00 0.00 O ATOM 252 CB ARG A 19 5.574 2.410 -7.616 1.00 0.00 C ATOM 253 CG ARG A 19 6.685 2.712 -8.623 1.00 0.00 C ATOM 254 CD ARG A 19 6.102 3.104 -9.983 1.00 0.00 C ATOM 255 NE ARG A 19 6.736 4.351 -10.465 1.00 0.00 N ATOM 256 CZ ARG A 19 6.777 4.724 -11.751 1.00 0.00 C ATOM 257 NH1 ARG A 19 6.223 3.948 -12.692 1.00 0.00 N ATOM 258 NH2 ARG A 19 7.374 5.873 -12.097 1.00 0.00 N ATOM 0 H ARG A 19 5.643 5.287 -8.097 1.00 0.00 H new ATOM 0 HA ARG A 19 4.282 3.453 -6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.911 1.647 -6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.707 2.004 -8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.312 3.520 -8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.325 1.837 -8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.265 2.302 -10.703 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.024 3.243 -9.899 1.00 0.00 H new ATOM 0 HE ARG A 19 7.169 4.965 -9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.770 3.073 -12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.254 4.232 -13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.797 6.464 -11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.405 6.157 -13.076 1.00 0.00 H new ATOM 272 N THR A 20 6.319 3.500 -4.737 1.00 0.00 N ATOM 273 CA THR A 20 7.350 3.799 -3.757 1.00 0.00 C ATOM 274 C THR A 20 7.811 2.517 -3.061 1.00 0.00 C ATOM 275 O THR A 20 6.989 1.738 -2.579 1.00 0.00 O ATOM 276 CB THR A 20 6.794 4.848 -2.792 1.00 0.00 C ATOM 277 OG1 THR A 20 7.925 5.241 -2.018 1.00 0.00 O ATOM 278 CG2 THR A 20 5.830 4.249 -1.767 1.00 0.00 C ATOM 0 H THR A 20 5.623 2.820 -4.430 1.00 0.00 H new ATOM 0 HA THR A 20 8.240 4.212 -4.232 1.00 0.00 H new ATOM 0 HB THR A 20 6.283 5.627 -3.358 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.655 5.922 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.465 5.036 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.988 3.790 -2.285 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.349 3.493 -1.178 1.00 0.00 H new ATOM 286 N VAL A 21 9.123 2.337 -3.030 1.00 0.00 N ATOM 287 CA VAL A 21 9.703 1.163 -2.401 1.00 0.00 C ATOM 288 C VAL A 21 9.829 1.406 -0.895 1.00 0.00 C ATOM 289 O VAL A 21 10.409 2.404 -0.470 1.00 0.00 O ATOM 290 CB VAL A 21 11.038 0.820 -3.064 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.359 -0.669 -2.913 1.00 0.00 C ATOM 292 CG2 VAL A 21 11.042 1.235 -4.537 1.00 0.00 C ATOM 0 H VAL A 21 9.801 2.985 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 21 9.055 0.297 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 21 11.819 1.385 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.313 -0.886 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.419 -0.923 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.573 -1.260 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.003 0.980 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.245 0.711 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.881 2.310 -4.612 1.00 0.00 H new ATOM 302 N VAL A 22 9.275 0.477 -0.130 1.00 0.00 N ATOM 303 CA VAL A 22 9.317 0.578 1.319 1.00 0.00 C ATOM 304 C VAL A 22 10.112 -0.601 1.884 1.00 0.00 C ATOM 305 O VAL A 22 10.318 -1.601 1.199 1.00 0.00 O ATOM 306 CB VAL A 22 7.896 0.665 1.879 1.00 0.00 C ATOM 307 CG1 VAL A 22 7.915 0.785 3.405 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.128 1.827 1.247 1.00 0.00 C ATOM 0 H VAL A 22 8.795 -0.349 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 22 9.828 1.491 1.624 1.00 0.00 H new ATOM 0 HB VAL A 22 7.377 -0.258 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.893 0.845 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.406 -0.089 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.460 1.684 3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.121 1.866 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.645 2.763 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.070 1.681 0.168 1.00 0.00 H new ATOM 318 N THR A 23 10.537 -0.444 3.130 1.00 0.00 N ATOM 319 CA THR A 23 11.304 -1.482 3.795 1.00 0.00 C ATOM 320 C THR A 23 10.370 -2.462 4.508 1.00 0.00 C ATOM 321 O THR A 23 9.361 -2.056 5.083 1.00 0.00 O ATOM 322 CB THR A 23 12.304 -0.804 4.734 1.00 0.00 C ATOM 323 OG1 THR A 23 12.997 0.117 3.896 1.00 0.00 O ATOM 324 CG2 THR A 23 13.395 -1.761 5.218 1.00 0.00 C ATOM 0 H THR A 23 10.364 0.387 3.696 1.00 0.00 H new ATOM 0 HA THR A 23 11.865 -2.080 3.077 1.00 0.00 H new ATOM 0 HB THR A 23 11.774 -0.394 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.665 0.602 4.425 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.078 -1.229 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.938 -2.591 5.757 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.948 -2.146 4.361 1.00 0.00 H new ATOM 332 N VAL A 24 10.739 -3.733 4.447 1.00 0.00 N ATOM 333 CA VAL A 24 9.946 -4.774 5.080 1.00 0.00 C ATOM 334 C VAL A 24 10.438 -4.982 6.514 1.00 0.00 C ATOM 335 O VAL A 24 11.533 -5.500 6.729 1.00 0.00 O ATOM 336 CB VAL A 24 9.994 -6.051 4.239 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.785 -6.943 4.529 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.088 -5.723 2.748 1.00 0.00 C ATOM 0 H VAL A 24 11.576 -4.066 3.969 1.00 0.00 H new ATOM 0 HA VAL A 24 8.899 -4.477 5.136 1.00 0.00 H new ATOM 0 HB VAL A 24 10.892 -6.602 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.843 -7.844 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.781 -7.219 5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.869 -6.402 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.121 -6.649 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.217 -5.140 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.993 -5.146 2.559 1.00 0.00 H new ATOM 348 N ARG A 25 9.604 -4.570 7.457 1.00 0.00 N ATOM 349 CA ARG A 25 9.941 -4.705 8.864 1.00 0.00 C ATOM 350 C ARG A 25 8.916 -5.595 9.571 1.00 0.00 C ATOM 351 O ARG A 25 7.836 -5.133 9.938 1.00 0.00 O ATOM 352 CB ARG A 25 9.983 -3.340 9.554 1.00 0.00 C ATOM 353 CG ARG A 25 10.656 -2.295 8.661 1.00 0.00 C ATOM 354 CD ARG A 25 11.385 -1.244 9.501 1.00 0.00 C ATOM 355 NE ARG A 25 12.729 -0.990 8.937 1.00 0.00 N ATOM 356 CZ ARG A 25 13.771 -1.823 9.073 1.00 0.00 C ATOM 357 NH1 ARG A 25 13.629 -2.968 9.754 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.954 -1.510 8.527 1.00 0.00 N ATOM 0 H ARG A 25 8.696 -4.143 7.275 1.00 0.00 H new ATOM 0 HA ARG A 25 10.929 -5.161 8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.970 -3.019 9.795 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.525 -3.421 10.496 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.363 -2.785 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.907 -1.810 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.809 -0.319 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.473 -1.587 10.532 1.00 0.00 H new ATOM 0 HE ARG A 25 12.872 -0.127 8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.728 -3.206 10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.422 -3.602 9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.062 -0.638 8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.747 -2.143 8.630 1.00 0.00 H new ATOM 372 N ASP A 26 9.291 -6.854 9.742 1.00 0.00 N ATOM 373 CA ASP A 26 8.418 -7.812 10.399 1.00 0.00 C ATOM 374 C ASP A 26 8.135 -7.342 11.828 1.00 0.00 C ATOM 375 O ASP A 26 8.781 -7.793 12.772 1.00 0.00 O ATOM 376 CB ASP A 26 9.074 -9.192 10.477 1.00 0.00 C ATOM 377 CG ASP A 26 8.235 -10.269 11.167 1.00 0.00 C ATOM 378 OD1 ASP A 26 7.717 -9.968 12.264 1.00 0.00 O ATOM 379 OD2 ASP A 26 8.132 -11.369 10.582 1.00 0.00 O ATOM 0 H ASP A 26 10.188 -7.233 9.437 1.00 0.00 H new ATOM 0 HA ASP A 26 7.498 -7.882 9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.305 -9.525 9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.022 -9.097 11.006 1.00 0.00 H new ATOM 384 N GLY A 27 7.170 -6.441 11.940 1.00 0.00 N ATOM 385 CA GLY A 27 6.794 -5.905 13.237 1.00 0.00 C ATOM 386 C GLY A 27 5.831 -4.727 13.085 1.00 0.00 C ATOM 387 O GLY A 27 4.638 -4.856 13.355 1.00 0.00 O ATOM 0 H GLY A 27 6.637 -6.069 11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.326 -6.687 13.836 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.686 -5.583 13.774 1.00 0.00 H new ATOM 391 N MET A 28 6.385 -3.603 12.652 1.00 0.00 N ATOM 392 CA MET A 28 5.590 -2.402 12.461 1.00 0.00 C ATOM 393 C MET A 28 4.293 -2.716 11.712 1.00 0.00 C ATOM 394 O MET A 28 4.232 -3.677 10.945 1.00 0.00 O ATOM 395 CB MET A 28 6.400 -1.374 11.670 1.00 0.00 C ATOM 396 CG MET A 28 6.454 -1.742 10.186 1.00 0.00 C ATOM 397 SD MET A 28 7.756 -0.828 9.377 1.00 0.00 S ATOM 398 CE MET A 28 6.948 0.751 9.175 1.00 0.00 C ATOM 0 H MET A 28 7.375 -3.499 12.428 1.00 0.00 H new ATOM 0 HA MET A 28 5.333 -1.999 13.441 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.954 -0.386 11.787 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.412 -1.317 12.071 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.627 -2.812 10.074 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.497 -1.522 9.713 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.112 1.116 8.161 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.878 0.638 9.352 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.360 1.464 9.889 1.00 0.00 H new ATOM 408 N SER A 29 3.289 -1.889 11.959 1.00 0.00 N ATOM 409 CA SER A 29 1.997 -2.066 11.317 1.00 0.00 C ATOM 410 C SER A 29 2.038 -1.502 9.895 1.00 0.00 C ATOM 411 O SER A 29 3.040 -0.920 9.483 1.00 0.00 O ATOM 412 CB SER A 29 0.884 -1.394 12.123 1.00 0.00 C ATOM 413 OG SER A 29 -0.408 -1.702 11.609 1.00 0.00 O ATOM 0 H SER A 29 3.343 -1.094 12.595 1.00 0.00 H new ATOM 0 HA SER A 29 1.781 -3.133 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.946 -1.714 13.163 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.030 -0.314 12.112 1.00 0.00 H new ATOM 0 HG SER A 29 -0.478 -2.667 11.456 1.00 0.00 H new ATOM 419 N VAL A 30 0.936 -1.694 9.185 1.00 0.00 N ATOM 420 CA VAL A 30 0.832 -1.212 7.819 1.00 0.00 C ATOM 421 C VAL A 30 0.635 0.306 7.831 1.00 0.00 C ATOM 422 O VAL A 30 1.231 1.020 7.027 1.00 0.00 O ATOM 423 CB VAL A 30 -0.286 -1.954 7.085 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.598 -1.288 5.743 1.00 0.00 C ATOM 425 CG2 VAL A 30 0.068 -3.430 6.895 1.00 0.00 C ATOM 0 H VAL A 30 0.107 -2.177 9.531 1.00 0.00 H new ATOM 0 HA VAL A 30 1.752 -1.416 7.272 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.183 -1.901 7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.396 -1.836 5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.915 -0.259 5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.295 -1.295 5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.744 -3.934 6.371 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.984 -3.512 6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.216 -3.897 7.869 1.00 0.00 H new ATOM 435 N TYR A 31 -0.204 0.753 8.754 1.00 0.00 N ATOM 436 CA TYR A 31 -0.488 2.172 8.882 1.00 0.00 C ATOM 437 C TYR A 31 0.804 2.978 9.032 1.00 0.00 C ATOM 438 O TYR A 31 1.058 3.900 8.258 1.00 0.00 O ATOM 439 CB TYR A 31 -1.320 2.323 10.157 1.00 0.00 C ATOM 440 CG TYR A 31 -1.401 3.758 10.682 1.00 0.00 C ATOM 441 CD1 TYR A 31 -0.446 4.226 11.562 1.00 0.00 C ATOM 442 CD2 TYR A 31 -2.429 4.584 10.275 1.00 0.00 C ATOM 443 CE1 TYR A 31 -0.523 5.577 12.055 1.00 0.00 C ATOM 444 CE2 TYR A 31 -2.505 5.934 10.769 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.549 6.364 11.634 1.00 0.00 C ATOM 446 OH TYR A 31 -1.621 7.640 12.100 1.00 0.00 O ATOM 0 H TYR A 31 -0.696 0.158 9.420 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.008 2.540 7.998 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.330 1.960 9.965 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.895 1.687 10.933 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.358 3.580 11.881 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.176 4.218 9.586 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.217 5.957 12.744 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.304 6.591 10.459 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.404 8.085 11.714 1.00 0.00 H new ATOM 456 N ASP A 32 1.586 2.602 10.033 1.00 0.00 N ATOM 457 CA ASP A 32 2.845 3.278 10.294 1.00 0.00 C ATOM 458 C ASP A 32 3.747 3.161 9.064 1.00 0.00 C ATOM 459 O ASP A 32 4.595 4.019 8.827 1.00 0.00 O ATOM 460 CB ASP A 32 3.576 2.643 11.478 1.00 0.00 C ATOM 461 CG ASP A 32 2.853 2.758 12.822 1.00 0.00 C ATOM 462 OD1 ASP A 32 1.850 2.030 12.991 1.00 0.00 O ATOM 463 OD2 ASP A 32 3.319 3.570 13.650 1.00 0.00 O ATOM 0 H ASP A 32 1.372 1.837 10.673 1.00 0.00 H new ATOM 0 HA ASP A 32 2.626 4.321 10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.741 1.588 11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.558 3.107 11.570 1.00 0.00 H new ATOM 468 N SER A 33 3.532 2.091 8.312 1.00 0.00 N ATOM 469 CA SER A 33 4.315 1.850 7.112 1.00 0.00 C ATOM 470 C SER A 33 3.832 2.760 5.981 1.00 0.00 C ATOM 471 O SER A 33 4.621 3.497 5.393 1.00 0.00 O ATOM 472 CB SER A 33 4.232 0.383 6.686 1.00 0.00 C ATOM 473 OG SER A 33 5.391 -0.352 7.072 1.00 0.00 O ATOM 0 H SER A 33 2.827 1.381 8.511 1.00 0.00 H new ATOM 0 HA SER A 33 5.358 2.077 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.348 -0.074 7.131 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.110 0.326 5.604 1.00 0.00 H new ATOM 0 HG SER A 33 5.640 -0.971 6.354 1.00 0.00 H new ATOM 479 N LEU A 34 2.537 2.678 5.710 1.00 0.00 N ATOM 480 CA LEU A 34 1.940 3.484 4.660 1.00 0.00 C ATOM 481 C LEU A 34 1.611 4.872 5.213 1.00 0.00 C ATOM 482 O LEU A 34 0.907 5.650 4.571 1.00 0.00 O ATOM 483 CB LEU A 34 0.735 2.764 4.051 1.00 0.00 C ATOM 484 CG LEU A 34 1.030 1.854 2.857 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.682 2.640 1.718 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.875 0.651 3.281 1.00 0.00 C ATOM 0 H LEU A 34 1.885 2.065 6.200 1.00 0.00 H new ATOM 0 HA LEU A 34 2.645 3.625 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.262 2.166 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.008 3.514 3.740 1.00 0.00 H new ATOM 0 HG LEU A 34 0.084 1.466 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.882 1.970 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.011 3.435 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.619 3.075 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.071 0.020 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.820 0.999 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.337 0.076 4.034 1.00 0.00 H new ATOM 498 N ASP A 35 2.138 5.141 6.399 1.00 0.00 N ATOM 499 CA ASP A 35 1.909 6.422 7.046 1.00 0.00 C ATOM 500 C ASP A 35 2.656 7.516 6.280 1.00 0.00 C ATOM 501 O ASP A 35 2.060 8.513 5.875 1.00 0.00 O ATOM 502 CB ASP A 35 2.430 6.413 8.485 1.00 0.00 C ATOM 503 CG ASP A 35 2.562 7.792 9.134 1.00 0.00 C ATOM 504 OD1 ASP A 35 3.468 8.538 8.702 1.00 0.00 O ATOM 505 OD2 ASP A 35 1.755 8.070 10.047 1.00 0.00 O ATOM 0 H ASP A 35 2.722 4.494 6.928 1.00 0.00 H new ATOM 0 HA ASP A 35 0.835 6.610 7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.761 5.804 9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.405 5.927 8.499 1.00 0.00 H new ATOM 510 N LYS A 36 3.950 7.292 6.105 1.00 0.00 N ATOM 511 CA LYS A 36 4.785 8.247 5.395 1.00 0.00 C ATOM 512 C LYS A 36 4.435 8.215 3.906 1.00 0.00 C ATOM 513 O LYS A 36 4.235 9.260 3.289 1.00 0.00 O ATOM 514 CB LYS A 36 6.264 7.984 5.684 1.00 0.00 C ATOM 515 CG LYS A 36 6.659 8.528 7.059 1.00 0.00 C ATOM 516 CD LYS A 36 6.641 10.058 7.069 1.00 0.00 C ATOM 517 CE LYS A 36 7.334 10.623 5.828 1.00 0.00 C ATOM 518 NZ LYS A 36 7.737 12.029 6.055 1.00 0.00 N ATOM 0 H LYS A 36 4.441 6.464 6.442 1.00 0.00 H new ATOM 0 HA LYS A 36 4.590 9.260 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.462 6.913 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.878 8.452 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.973 8.148 7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.654 8.171 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.611 10.413 7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.139 10.425 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.211 10.021 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.663 10.565 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.206 12.398 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.894 12.603 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.394 12.076 6.860 1.00 0.00 H new ATOM 532 N ALA A 37 4.370 7.004 3.371 1.00 0.00 N ATOM 533 CA ALA A 37 4.047 6.822 1.966 1.00 0.00 C ATOM 534 C ALA A 37 2.907 7.768 1.583 1.00 0.00 C ATOM 535 O ALA A 37 2.854 8.256 0.455 1.00 0.00 O ATOM 536 CB ALA A 37 3.699 5.355 1.708 1.00 0.00 C ATOM 0 H ALA A 37 4.536 6.139 3.886 1.00 0.00 H new ATOM 0 HA ALA A 37 4.904 7.068 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.457 5.218 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.551 4.728 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.841 5.072 2.317 1.00 0.00 H new ATOM 542 N LEU A 38 2.024 7.999 2.543 1.00 0.00 N ATOM 543 CA LEU A 38 0.888 8.877 2.320 1.00 0.00 C ATOM 544 C LEU A 38 1.277 10.310 2.692 1.00 0.00 C ATOM 545 O LEU A 38 1.223 11.208 1.853 1.00 0.00 O ATOM 546 CB LEU A 38 -0.343 8.361 3.067 1.00 0.00 C ATOM 547 CG LEU A 38 -0.914 7.028 2.578 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.210 6.684 3.314 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.100 7.035 1.060 1.00 0.00 C ATOM 0 H LEU A 38 2.072 7.593 3.478 1.00 0.00 H new ATOM 0 HA LEU A 38 0.612 8.884 1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.087 8.259 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.127 9.116 3.001 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.195 6.242 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.595 5.732 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.012 6.608 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.948 7.466 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.507 6.076 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.788 7.833 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.137 7.201 0.576 1.00 0.00 H new ATOM 561 N LYS A 39 1.659 10.478 3.949 1.00 0.00 N ATOM 562 CA LYS A 39 2.057 11.786 4.442 1.00 0.00 C ATOM 563 C LYS A 39 2.948 12.468 3.402 1.00 0.00 C ATOM 564 O LYS A 39 2.735 13.632 3.064 1.00 0.00 O ATOM 565 CB LYS A 39 2.704 11.664 5.823 1.00 0.00 C ATOM 566 CG LYS A 39 1.671 11.272 6.880 1.00 0.00 C ATOM 567 CD LYS A 39 1.728 12.218 8.081 1.00 0.00 C ATOM 568 CE LYS A 39 0.779 11.757 9.189 1.00 0.00 C ATOM 569 NZ LYS A 39 0.383 12.900 10.041 1.00 0.00 N ATOM 0 H LYS A 39 1.702 9.730 4.641 1.00 0.00 H new ATOM 0 HA LYS A 39 1.184 12.423 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.498 10.918 5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.167 12.612 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.673 11.293 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.853 10.249 7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.747 12.262 8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.462 13.227 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.107 11.299 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.264 10.993 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.261 12.570 10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.230 13.319 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.099 13.616 9.460 1.00 0.00 H new ATOM 583 N VAL A 40 3.929 11.716 2.925 1.00 0.00 N ATOM 584 CA VAL A 40 4.853 12.234 1.931 1.00 0.00 C ATOM 585 C VAL A 40 4.081 13.072 0.910 1.00 0.00 C ATOM 586 O VAL A 40 4.604 14.055 0.387 1.00 0.00 O ATOM 587 CB VAL A 40 5.634 11.083 1.292 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.687 10.085 0.622 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.670 11.609 0.298 1.00 0.00 C ATOM 0 H VAL A 40 4.104 10.752 3.209 1.00 0.00 H new ATOM 0 HA VAL A 40 5.589 12.888 2.398 1.00 0.00 H new ATOM 0 HB VAL A 40 6.168 10.558 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.266 9.277 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.005 9.674 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.114 10.592 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.211 10.771 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.167 12.169 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.372 12.262 0.816 1.00 0.00 H new ATOM 599 N ARG A 41 2.850 12.652 0.657 1.00 0.00 N ATOM 600 CA ARG A 41 2.001 13.352 -0.292 1.00 0.00 C ATOM 601 C ARG A 41 0.952 14.183 0.448 1.00 0.00 C ATOM 602 O ARG A 41 0.551 15.246 -0.024 1.00 0.00 O ATOM 603 CB ARG A 41 1.296 12.369 -1.229 1.00 0.00 C ATOM 604 CG ARG A 41 2.311 11.557 -2.036 1.00 0.00 C ATOM 605 CD ARG A 41 1.607 10.654 -3.051 1.00 0.00 C ATOM 606 NE ARG A 41 2.383 10.606 -4.310 1.00 0.00 N ATOM 607 CZ ARG A 41 2.339 11.554 -5.257 1.00 0.00 C ATOM 608 NH1 ARG A 41 1.556 12.629 -5.093 1.00 0.00 N ATOM 609 NH2 ARG A 41 3.079 11.427 -6.367 1.00 0.00 N ATOM 0 H ARG A 41 2.420 11.836 1.093 1.00 0.00 H new ATOM 0 HA ARG A 41 2.637 14.009 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.666 11.696 -0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.640 12.914 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.992 12.232 -2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.916 10.950 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.499 9.649 -2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.602 11.028 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 41 2.989 9.801 -4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.993 12.726 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.523 13.350 -5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.676 10.609 -6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.046 12.148 -7.088 1.00 0.00 H new ATOM 623 N GLY A 42 0.536 13.668 1.595 1.00 0.00 N ATOM 624 CA GLY A 42 -0.460 14.350 2.405 1.00 0.00 C ATOM 625 C GLY A 42 -1.751 13.534 2.488 1.00 0.00 C ATOM 626 O GLY A 42 -2.759 14.012 3.006 1.00 0.00 O ATOM 0 H GLY A 42 0.870 12.786 1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.066 14.517 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.672 15.330 1.978 1.00 0.00 H new ATOM 630 N LEU A 43 -1.679 12.317 1.971 1.00 0.00 N ATOM 631 CA LEU A 43 -2.829 11.430 1.980 1.00 0.00 C ATOM 632 C LEU A 43 -3.165 11.052 3.424 1.00 0.00 C ATOM 633 O LEU A 43 -2.276 10.967 4.270 1.00 0.00 O ATOM 634 CB LEU A 43 -2.584 10.224 1.070 1.00 0.00 C ATOM 635 CG LEU A 43 -2.801 10.458 -0.426 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.151 9.349 -1.255 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.289 10.616 -0.747 1.00 0.00 C ATOM 0 H LEU A 43 -0.841 11.924 1.543 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.703 11.936 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.559 9.883 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.239 9.414 1.390 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.312 11.393 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.320 9.540 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.079 9.327 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.589 8.388 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.415 10.781 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.822 9.712 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.691 11.468 -0.199 1.00 0.00 H new ATOM 649 N ASN A 44 -4.450 10.835 3.662 1.00 0.00 N ATOM 650 CA ASN A 44 -4.914 10.468 4.989 1.00 0.00 C ATOM 651 C ASN A 44 -5.184 8.962 5.032 1.00 0.00 C ATOM 652 O ASN A 44 -5.447 8.346 4.001 1.00 0.00 O ATOM 653 CB ASN A 44 -6.216 11.192 5.337 1.00 0.00 C ATOM 654 CG ASN A 44 -6.295 11.488 6.836 1.00 0.00 C ATOM 655 OD1 ASN A 44 -6.047 12.593 7.291 1.00 0.00 O ATOM 656 ND2 ASN A 44 -6.652 10.443 7.576 1.00 0.00 N ATOM 0 H ASN A 44 -5.185 10.906 2.958 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.142 10.749 5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.280 12.124 4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.067 10.581 5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.732 10.539 8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.846 9.546 7.131 1.00 0.00 H new ATOM 663 N GLN A 45 -5.110 8.414 6.236 1.00 0.00 N ATOM 664 CA GLN A 45 -5.343 6.993 6.427 1.00 0.00 C ATOM 665 C GLN A 45 -6.829 6.728 6.681 1.00 0.00 C ATOM 666 O GLN A 45 -7.181 5.898 7.517 1.00 0.00 O ATOM 667 CB GLN A 45 -4.486 6.445 7.570 1.00 0.00 C ATOM 668 CG GLN A 45 -3.009 6.399 7.173 1.00 0.00 C ATOM 669 CD GLN A 45 -2.266 7.636 7.682 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.709 8.763 7.534 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.114 7.364 8.288 1.00 0.00 N ATOM 0 H GLN A 45 -4.892 8.929 7.089 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.051 6.472 5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.609 7.070 8.454 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.826 5.444 7.837 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.547 5.500 7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.922 6.339 6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.801 6.397 8.378 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.543 8.122 8.662 1.00 0.00 H new ATOM 680 N ASP A 46 -7.660 7.450 5.944 1.00 0.00 N ATOM 681 CA ASP A 46 -9.100 7.304 6.079 1.00 0.00 C ATOM 682 C ASP A 46 -9.748 7.383 4.696 1.00 0.00 C ATOM 683 O ASP A 46 -10.595 6.559 4.355 1.00 0.00 O ATOM 684 CB ASP A 46 -9.689 8.422 6.942 1.00 0.00 C ATOM 685 CG ASP A 46 -10.748 7.971 7.949 1.00 0.00 C ATOM 686 OD1 ASP A 46 -11.353 6.907 7.698 1.00 0.00 O ATOM 687 OD2 ASP A 46 -10.928 8.701 8.948 1.00 0.00 O ATOM 0 H ASP A 46 -7.364 8.138 5.251 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.298 6.342 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.878 8.908 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.129 9.173 6.286 1.00 0.00 H new ATOM 692 N CYS A 47 -9.325 8.382 3.935 1.00 0.00 N ATOM 693 CA CYS A 47 -9.853 8.579 2.596 1.00 0.00 C ATOM 694 C CYS A 47 -8.937 7.858 1.607 1.00 0.00 C ATOM 695 O CYS A 47 -8.910 8.191 0.423 1.00 0.00 O ATOM 696 CB CYS A 47 -10.000 10.065 2.259 1.00 0.00 C ATOM 697 SG CYS A 47 -11.615 10.685 2.858 1.00 0.00 S ATOM 0 H CYS A 47 -8.622 9.064 4.221 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.856 8.158 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.190 10.632 2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.921 10.212 1.182 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.729 11.947 2.569 1.00 0.00 H new ATOM 703 N CYS A 48 -8.207 6.883 2.128 1.00 0.00 N ATOM 704 CA CYS A 48 -7.291 6.111 1.305 1.00 0.00 C ATOM 705 C CYS A 48 -7.355 4.650 1.755 1.00 0.00 C ATOM 706 O CYS A 48 -7.512 4.369 2.942 1.00 0.00 O ATOM 707 CB CYS A 48 -5.867 6.667 1.370 1.00 0.00 C ATOM 708 SG CYS A 48 -5.752 8.210 0.394 1.00 0.00 S ATOM 0 H CYS A 48 -8.231 6.610 3.110 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.591 6.181 0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.591 6.861 2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.162 5.930 0.985 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.932 8.745 0.287 1.00 0.00 H new ATOM 714 N VAL A 49 -7.230 3.759 0.783 1.00 0.00 N ATOM 715 CA VAL A 49 -7.271 2.334 1.064 1.00 0.00 C ATOM 716 C VAL A 49 -6.036 1.663 0.460 1.00 0.00 C ATOM 717 O VAL A 49 -5.427 2.195 -0.466 1.00 0.00 O ATOM 718 CB VAL A 49 -8.585 1.738 0.554 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.818 2.101 -0.914 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.614 0.221 0.755 1.00 0.00 C ATOM 0 H VAL A 49 -7.100 3.996 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.244 2.156 2.139 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.398 2.169 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.758 1.665 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.862 3.185 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.000 1.712 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.558 -0.177 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.788 -0.234 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.516 -0.007 1.816 1.00 0.00 H new ATOM 730 N VAL A 50 -5.703 0.504 1.010 1.00 0.00 N ATOM 731 CA VAL A 50 -4.551 -0.245 0.538 1.00 0.00 C ATOM 732 C VAL A 50 -4.994 -1.653 0.136 1.00 0.00 C ATOM 733 O VAL A 50 -5.488 -2.413 0.968 1.00 0.00 O ATOM 734 CB VAL A 50 -3.453 -0.244 1.603 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.199 -0.962 1.099 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.126 1.181 2.052 1.00 0.00 C ATOM 0 H VAL A 50 -6.211 0.066 1.778 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.125 0.227 -0.347 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.826 -0.791 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.434 -0.947 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.445 -1.995 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.823 -0.456 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.343 1.153 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.783 1.762 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.019 1.644 2.471 1.00 0.00 H new ATOM 746 N TYR A 51 -4.800 -1.959 -1.138 1.00 0.00 N ATOM 747 CA TYR A 51 -5.174 -3.263 -1.660 1.00 0.00 C ATOM 748 C TYR A 51 -3.958 -4.189 -1.742 1.00 0.00 C ATOM 749 O TYR A 51 -2.869 -3.757 -2.118 1.00 0.00 O ATOM 750 CB TYR A 51 -5.708 -3.015 -3.072 1.00 0.00 C ATOM 751 CG TYR A 51 -6.689 -1.845 -3.169 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.622 -1.642 -2.173 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.640 -0.992 -4.253 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.545 -0.541 -2.265 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.563 0.109 -4.345 1.00 0.00 C ATOM 756 CZ TYR A 51 -8.470 0.281 -3.346 1.00 0.00 C ATOM 757 OH TYR A 51 -9.342 1.321 -3.433 1.00 0.00 O ATOM 0 H TYR A 51 -4.389 -1.327 -1.825 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.911 -3.739 -1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.867 -2.827 -3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.201 -3.920 -3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.660 -2.309 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.909 -1.151 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.281 -0.372 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.536 0.783 -5.188 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.171 1.823 -4.257 1.00 0.00 H new ATOM 767 N ARG A 52 -4.186 -5.445 -1.386 1.00 0.00 N ATOM 768 CA ARG A 52 -3.123 -6.435 -1.415 1.00 0.00 C ATOM 769 C ARG A 52 -3.205 -7.264 -2.699 1.00 0.00 C ATOM 770 O ARG A 52 -4.290 -7.672 -3.110 1.00 0.00 O ATOM 771 CB ARG A 52 -3.207 -7.369 -0.207 1.00 0.00 C ATOM 772 CG ARG A 52 -3.327 -6.573 1.095 1.00 0.00 C ATOM 773 CD ARG A 52 -2.520 -7.232 2.216 1.00 0.00 C ATOM 774 NE ARG A 52 -2.830 -8.677 2.281 1.00 0.00 N ATOM 775 CZ ARG A 52 -3.883 -9.192 2.930 1.00 0.00 C ATOM 776 NH1 ARG A 52 -4.733 -8.382 3.575 1.00 0.00 N ATOM 777 NH2 ARG A 52 -4.085 -10.517 2.935 1.00 0.00 N ATOM 0 H ARG A 52 -5.091 -5.799 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.173 -5.902 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.067 -8.031 -0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.320 -8.002 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.972 -5.554 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.375 -6.504 1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.454 -7.088 2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.753 -6.758 3.170 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.202 -9.322 1.801 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.578 -7.374 3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.535 -8.773 4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.437 -11.134 2.445 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.887 -10.909 3.429 1.00 0.00 H new ATOM 791 N LEU A 53 -2.044 -7.487 -3.296 1.00 0.00 N ATOM 792 CA LEU A 53 -1.971 -8.260 -4.525 1.00 0.00 C ATOM 793 C LEU A 53 -1.925 -9.750 -4.182 1.00 0.00 C ATOM 794 O LEU A 53 -0.882 -10.268 -3.785 1.00 0.00 O ATOM 795 CB LEU A 53 -0.795 -7.790 -5.384 1.00 0.00 C ATOM 796 CG LEU A 53 -1.130 -6.780 -6.484 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.560 -7.492 -7.769 1.00 0.00 C ATOM 798 CD2 LEU A 53 -2.181 -5.777 -6.006 1.00 0.00 C ATOM 0 H LEU A 53 -1.146 -7.146 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.863 -8.099 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.045 -7.348 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.337 -8.664 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.227 -6.215 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.792 -6.752 -8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.751 -8.133 -8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.444 -8.099 -7.571 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.401 -5.071 -6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.092 -6.308 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.800 -5.236 -5.140 1.00 0.00 H new ATOM 810 N ILE A 54 -3.068 -10.399 -4.349 1.00 0.00 N ATOM 811 CA ILE A 54 -3.172 -11.819 -4.063 1.00 0.00 C ATOM 812 C ILE A 54 -3.700 -12.547 -5.300 1.00 0.00 C ATOM 813 O ILE A 54 -4.910 -12.681 -5.477 1.00 0.00 O ATOM 814 CB ILE A 54 -4.013 -12.053 -2.806 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.283 -11.554 -1.557 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.419 -13.523 -2.683 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.964 -10.309 -0.985 1.00 0.00 C ATOM 0 H ILE A 54 -3.931 -9.967 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.189 -12.236 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.931 -11.472 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.264 -12.341 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.246 -11.325 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.016 -13.661 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.006 -13.812 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.525 -14.144 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.426 -9.975 -0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.959 -9.516 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.993 -10.548 -0.716 1.00 0.00 H new ATOM 829 N LYS A 55 -2.767 -12.999 -6.125 1.00 0.00 N ATOM 830 CA LYS A 55 -3.123 -13.710 -7.341 1.00 0.00 C ATOM 831 C LYS A 55 -3.887 -12.767 -8.273 1.00 0.00 C ATOM 832 O LYS A 55 -4.906 -13.148 -8.848 1.00 0.00 O ATOM 833 CB LYS A 55 -3.884 -14.995 -7.007 1.00 0.00 C ATOM 834 CG LYS A 55 -2.960 -16.212 -7.069 1.00 0.00 C ATOM 835 CD LYS A 55 -2.719 -16.790 -5.673 1.00 0.00 C ATOM 836 CE LYS A 55 -1.474 -16.173 -5.031 1.00 0.00 C ATOM 837 NZ LYS A 55 -1.452 -16.445 -3.577 1.00 0.00 N ATOM 0 H LYS A 55 -1.764 -12.887 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.226 -14.027 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.320 -14.915 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.710 -15.125 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.400 -16.975 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.008 -15.928 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.588 -16.602 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.600 -17.872 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.577 -16.581 -5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.463 -15.097 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.601 -16.020 -3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.299 -16.035 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.441 -17.472 -3.416 1.00 0.00 H new ATOM 851 N GLY A 56 -3.366 -11.555 -8.393 1.00 0.00 N ATOM 852 CA GLY A 56 -3.986 -10.555 -9.245 1.00 0.00 C ATOM 853 C GLY A 56 -5.403 -10.231 -8.768 1.00 0.00 C ATOM 854 O GLY A 56 -6.349 -10.261 -9.555 1.00 0.00 O ATOM 0 H GLY A 56 -2.521 -11.243 -7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.382 -9.648 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.018 -10.917 -10.273 1.00 0.00 H new ATOM 858 N ARG A 57 -5.506 -9.930 -7.482 1.00 0.00 N ATOM 859 CA ARG A 57 -6.792 -9.601 -6.891 1.00 0.00 C ATOM 860 C ARG A 57 -6.609 -8.608 -5.741 1.00 0.00 C ATOM 861 O ARG A 57 -6.122 -8.973 -4.673 1.00 0.00 O ATOM 862 CB ARG A 57 -7.494 -10.855 -6.366 1.00 0.00 C ATOM 863 CG ARG A 57 -8.398 -11.467 -7.439 1.00 0.00 C ATOM 864 CD ARG A 57 -8.596 -12.965 -7.199 1.00 0.00 C ATOM 865 NE ARG A 57 -9.421 -13.546 -8.282 1.00 0.00 N ATOM 866 CZ ARG A 57 -9.910 -14.794 -8.267 1.00 0.00 C ATOM 867 NH1 ARG A 57 -9.659 -15.599 -7.226 1.00 0.00 N ATOM 868 NH2 ARG A 57 -10.649 -15.236 -9.293 1.00 0.00 N ATOM 0 H ARG A 57 -4.720 -9.907 -6.833 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.409 -9.152 -7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.751 -11.587 -6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.087 -10.603 -5.486 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.365 -10.964 -7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.959 -11.308 -8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.629 -13.466 -7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.079 -13.127 -6.236 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.630 -12.960 -9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.096 -15.262 -6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.031 -16.549 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.840 -14.623 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.021 -16.186 -9.282 1.00 0.00 H new ATOM 882 N LYS A 58 -7.010 -7.372 -6.000 1.00 0.00 N ATOM 883 CA LYS A 58 -6.897 -6.324 -5.000 1.00 0.00 C ATOM 884 C LYS A 58 -7.655 -6.744 -3.739 1.00 0.00 C ATOM 885 O LYS A 58 -8.884 -6.800 -3.738 1.00 0.00 O ATOM 886 CB LYS A 58 -7.356 -4.983 -5.575 1.00 0.00 C ATOM 887 CG LYS A 58 -6.263 -4.355 -6.442 1.00 0.00 C ATOM 888 CD LYS A 58 -6.351 -4.857 -7.884 1.00 0.00 C ATOM 889 CE LYS A 58 -5.341 -4.136 -8.779 1.00 0.00 C ATOM 890 NZ LYS A 58 -5.329 -4.733 -10.133 1.00 0.00 N ATOM 0 H LYS A 58 -7.414 -7.073 -6.888 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.855 -6.182 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.258 -5.128 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.615 -4.304 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.359 -3.269 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.283 -4.595 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.165 -5.931 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.359 -4.699 -8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.594 -3.078 -8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.346 -4.199 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.638 -4.232 -10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.065 -5.737 -10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.275 -4.650 -10.557 1.00 0.00 H new ATOM 904 N THR A 59 -6.890 -7.029 -2.695 1.00 0.00 N ATOM 905 CA THR A 59 -7.474 -7.442 -1.430 1.00 0.00 C ATOM 906 C THR A 59 -7.313 -6.339 -0.382 1.00 0.00 C ATOM 907 O THR A 59 -6.245 -6.191 0.209 1.00 0.00 O ATOM 908 CB THR A 59 -6.828 -8.767 -1.021 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.556 -9.749 -1.754 1.00 0.00 O ATOM 910 CG2 THR A 59 -7.094 -9.121 0.443 1.00 0.00 C ATOM 0 H THR A 59 -5.871 -6.982 -2.699 1.00 0.00 H new ATOM 0 HA THR A 59 -8.548 -7.603 -1.525 1.00 0.00 H new ATOM 0 HB THR A 59 -5.753 -8.714 -1.192 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.201 -10.639 -1.550 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.614 -10.070 0.681 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.690 -8.339 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.168 -9.207 0.607 1.00 0.00 H new ATOM 918 N VAL A 60 -8.390 -5.593 -0.184 1.00 0.00 N ATOM 919 CA VAL A 60 -8.382 -4.508 0.782 1.00 0.00 C ATOM 920 C VAL A 60 -7.639 -4.959 2.042 1.00 0.00 C ATOM 921 O VAL A 60 -7.856 -6.066 2.532 1.00 0.00 O ATOM 922 CB VAL A 60 -9.813 -4.047 1.065 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.834 -2.938 2.118 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.507 -3.595 -0.222 1.00 0.00 C ATOM 0 H VAL A 60 -9.274 -5.719 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.851 -3.645 0.382 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.366 -4.897 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.863 -2.629 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.397 -3.308 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.257 -2.085 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.523 -3.272 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.953 -2.766 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.540 -4.425 -0.928 1.00 0.00 H new ATOM 934 N THR A 61 -6.779 -4.077 2.530 1.00 0.00 N ATOM 935 CA THR A 61 -6.004 -4.370 3.724 1.00 0.00 C ATOM 936 C THR A 61 -6.413 -3.440 4.868 1.00 0.00 C ATOM 937 O THR A 61 -7.031 -2.402 4.637 1.00 0.00 O ATOM 938 CB THR A 61 -4.521 -4.270 3.360 1.00 0.00 C ATOM 939 OG1 THR A 61 -3.886 -5.203 4.231 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.912 -2.922 3.751 1.00 0.00 C ATOM 0 H THR A 61 -6.602 -3.160 2.121 1.00 0.00 H new ATOM 0 HA THR A 61 -6.199 -5.380 4.084 1.00 0.00 H new ATOM 0 HB THR A 61 -4.399 -4.426 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.975 -4.900 4.426 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.859 -2.904 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.439 -2.121 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.003 -2.780 4.828 1.00 0.00 H new ATOM 948 N ALA A 62 -6.052 -3.846 6.076 1.00 0.00 N ATOM 949 CA ALA A 62 -6.374 -3.063 7.256 1.00 0.00 C ATOM 950 C ALA A 62 -5.194 -2.148 7.593 1.00 0.00 C ATOM 951 O ALA A 62 -4.068 -2.399 7.167 1.00 0.00 O ATOM 952 CB ALA A 62 -6.733 -4.001 8.410 1.00 0.00 C ATOM 0 H ALA A 62 -5.539 -4.708 6.263 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.241 -2.429 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.975 -3.413 9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.595 -4.608 8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.886 -4.652 8.627 1.00 0.00 H new ATOM 958 N TRP A 63 -5.493 -1.107 8.356 1.00 0.00 N ATOM 959 CA TRP A 63 -4.471 -0.154 8.755 1.00 0.00 C ATOM 960 C TRP A 63 -3.788 -0.693 10.014 1.00 0.00 C ATOM 961 O TRP A 63 -2.588 -0.502 10.204 1.00 0.00 O ATOM 962 CB TRP A 63 -5.068 1.241 8.950 1.00 0.00 C ATOM 963 CG TRP A 63 -5.485 1.927 7.647 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.705 2.349 7.291 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.625 2.254 6.535 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.696 2.922 6.036 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.391 2.863 5.561 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.247 2.043 6.357 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.867 3.311 4.343 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.738 2.496 5.134 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.496 3.111 4.143 1.00 0.00 C ATOM 0 H TRP A 63 -6.428 -0.902 8.708 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.721 -0.043 7.972 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.937 1.165 9.603 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.339 1.869 9.462 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.586 2.253 7.909 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.499 3.316 5.547 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.629 1.569 7.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.487 3.786 3.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.683 2.358 4.947 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.029 3.433 3.224 1.00 0.00 H new ATOM 982 N ASP A 64 -4.583 -1.355 10.842 1.00 0.00 N ATOM 983 CA ASP A 64 -4.070 -1.923 12.077 1.00 0.00 C ATOM 984 C ASP A 64 -3.608 -3.359 11.820 1.00 0.00 C ATOM 985 O ASP A 64 -3.954 -4.270 12.571 1.00 0.00 O ATOM 986 CB ASP A 64 -5.153 -1.961 13.157 1.00 0.00 C ATOM 987 CG ASP A 64 -4.631 -2.032 14.594 1.00 0.00 C ATOM 988 OD1 ASP A 64 -3.573 -1.416 14.845 1.00 0.00 O ATOM 989 OD2 ASP A 64 -5.303 -2.701 15.409 1.00 0.00 O ATOM 0 H ASP A 64 -5.578 -1.511 10.682 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.243 -1.299 12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.777 -1.073 13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.795 -2.823 12.977 1.00 0.00 H new ATOM 994 N THR A 65 -2.833 -3.516 10.757 1.00 0.00 N ATOM 995 CA THR A 65 -2.320 -4.825 10.392 1.00 0.00 C ATOM 996 C THR A 65 -0.790 -4.826 10.420 1.00 0.00 C ATOM 997 O THR A 65 -0.165 -3.766 10.424 1.00 0.00 O ATOM 998 CB THR A 65 -2.903 -5.198 9.028 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.312 -5.177 9.235 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.604 -6.648 8.639 1.00 0.00 C ATOM 0 H THR A 65 -2.548 -2.758 10.137 1.00 0.00 H new ATOM 0 HA THR A 65 -2.627 -5.584 11.111 1.00 0.00 H new ATOM 0 HB THR A 65 -2.502 -4.529 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.703 -6.014 8.908 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.040 -6.860 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.525 -6.798 8.595 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.033 -7.320 9.382 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.230 -6.026 10.439 1.00 0.00 N ATOM 1009 CA ALA A 66 1.214 -6.178 10.466 1.00 0.00 C ATOM 1010 C ALA A 66 1.744 -6.240 9.032 1.00 0.00 C ATOM 1011 O ALA A 66 1.098 -6.809 8.152 1.00 0.00 O ATOM 1012 CB ALA A 66 1.582 -7.422 11.277 1.00 0.00 C ATOM 0 H ALA A 66 -0.751 -6.903 10.436 1.00 0.00 H new ATOM 0 HA ALA A 66 1.680 -5.321 10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.666 -7.536 11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.209 -7.316 12.296 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.133 -8.302 10.817 1.00 0.00 H new ATOM 1018 N ILE A 67 2.913 -5.648 8.840 1.00 0.00 N ATOM 1019 CA ILE A 67 3.537 -5.629 7.528 1.00 0.00 C ATOM 1020 C ILE A 67 4.474 -6.832 7.395 1.00 0.00 C ATOM 1021 O ILE A 67 5.356 -6.844 6.539 1.00 0.00 O ATOM 1022 CB ILE A 67 4.223 -4.284 7.280 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.724 -4.182 5.838 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.343 -4.045 8.294 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.930 -3.134 5.055 1.00 0.00 C ATOM 0 H ILE A 67 3.445 -5.177 9.572 1.00 0.00 H new ATOM 0 HA ILE A 67 2.783 -5.725 6.747 1.00 0.00 H new ATOM 0 HB ILE A 67 3.486 -3.493 7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.782 -3.920 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.635 -5.152 5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.814 -3.082 8.095 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.928 -4.045 9.302 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.087 -4.837 8.208 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.306 -3.081 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.876 -3.412 5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.041 -2.161 5.533 1.00 0.00 H new ATOM 1037 N ALA A 68 4.250 -7.813 8.256 1.00 0.00 N ATOM 1038 CA ALA A 68 5.063 -9.017 8.246 1.00 0.00 C ATOM 1039 C ALA A 68 4.688 -9.871 7.033 1.00 0.00 C ATOM 1040 O ALA A 68 5.539 -10.182 6.201 1.00 0.00 O ATOM 1041 CB ALA A 68 4.880 -9.769 9.567 1.00 0.00 C ATOM 0 H ALA A 68 3.517 -7.799 8.965 1.00 0.00 H new ATOM 0 HA ALA A 68 6.120 -8.765 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.490 -10.672 9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.188 -9.130 10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.831 -10.041 9.689 1.00 0.00 H new ATOM 1047 N PRO A 69 3.379 -10.235 6.969 1.00 0.00 N ATOM 1048 CA PRO A 69 2.881 -11.046 5.871 1.00 0.00 C ATOM 1049 C PRO A 69 2.749 -10.217 4.592 1.00 0.00 C ATOM 1050 O PRO A 69 1.699 -10.221 3.951 1.00 0.00 O ATOM 1051 CB PRO A 69 1.552 -11.598 6.361 1.00 0.00 C ATOM 1052 CG PRO A 69 1.135 -10.710 7.522 1.00 0.00 C ATOM 1053 CD PRO A 69 2.343 -9.885 7.936 1.00 0.00 C ATOM 0 HA PRO A 69 3.560 -11.856 5.605 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.805 -11.580 5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.653 -12.635 6.680 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.311 -10.060 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.781 -11.315 8.357 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.122 -8.818 7.911 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.655 -10.122 8.953 1.00 0.00 H new ATOM 1061 N LEU A 70 3.830 -9.526 4.259 1.00 0.00 N ATOM 1062 CA LEU A 70 3.848 -8.694 3.068 1.00 0.00 C ATOM 1063 C LEU A 70 5.096 -9.017 2.244 1.00 0.00 C ATOM 1064 O LEU A 70 5.036 -9.075 1.017 1.00 0.00 O ATOM 1065 CB LEU A 70 3.726 -7.216 3.445 1.00 0.00 C ATOM 1066 CG LEU A 70 2.342 -6.753 3.904 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.303 -6.949 2.798 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.934 -7.450 5.204 1.00 0.00 C ATOM 0 H LEU A 70 4.699 -9.525 4.793 1.00 0.00 H new ATOM 0 HA LEU A 70 2.985 -8.911 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.440 -7.004 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.021 -6.616 2.584 1.00 0.00 H new ATOM 0 HG LEU A 70 2.391 -5.684 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.328 -6.612 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.592 -6.370 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.248 -8.005 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.947 -7.103 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.907 -8.528 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.657 -7.216 5.985 1.00 0.00 H new ATOM 1080 N ASP A 71 6.197 -9.220 2.952 1.00 0.00 N ATOM 1081 CA ASP A 71 7.457 -9.536 2.301 1.00 0.00 C ATOM 1082 C ASP A 71 7.182 -10.352 1.036 1.00 0.00 C ATOM 1083 O ASP A 71 6.709 -11.484 1.114 1.00 0.00 O ATOM 1084 CB ASP A 71 8.355 -10.372 3.216 1.00 0.00 C ATOM 1085 CG ASP A 71 9.651 -10.868 2.572 1.00 0.00 C ATOM 1086 OD1 ASP A 71 10.127 -10.176 1.647 1.00 0.00 O ATOM 1087 OD2 ASP A 71 10.136 -11.930 3.019 1.00 0.00 O ATOM 0 H ASP A 71 6.243 -9.172 3.970 1.00 0.00 H new ATOM 0 HA ASP A 71 7.958 -8.598 2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.608 -9.778 4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.788 -11.234 3.567 1.00 0.00 H new ATOM 1092 N GLY A 72 7.491 -9.744 -0.100 1.00 0.00 N ATOM 1093 CA GLY A 72 7.283 -10.399 -1.380 1.00 0.00 C ATOM 1094 C GLY A 72 5.839 -10.227 -1.856 1.00 0.00 C ATOM 1095 O GLY A 72 5.108 -11.206 -1.998 1.00 0.00 O ATOM 0 H GLY A 72 7.884 -8.805 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.966 -9.983 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.517 -11.460 -1.292 1.00 0.00 H new ATOM 1099 N GLU A 73 5.472 -8.976 -2.090 1.00 0.00 N ATOM 1100 CA GLU A 73 4.129 -8.663 -2.547 1.00 0.00 C ATOM 1101 C GLU A 73 4.062 -7.220 -3.050 1.00 0.00 C ATOM 1102 O GLU A 73 5.091 -6.563 -3.202 1.00 0.00 O ATOM 1103 CB GLU A 73 3.102 -8.905 -1.439 1.00 0.00 C ATOM 1104 CG GLU A 73 3.173 -7.807 -0.376 1.00 0.00 C ATOM 1105 CD GLU A 73 2.162 -6.697 -0.666 1.00 0.00 C ATOM 1106 OE1 GLU A 73 0.986 -7.048 -0.904 1.00 0.00 O ATOM 1107 OE2 GLU A 73 2.587 -5.522 -0.642 1.00 0.00 O ATOM 0 H GLU A 73 6.082 -8.167 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 73 3.885 -9.328 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.100 -8.937 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.282 -9.876 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.977 -8.235 0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.179 -7.389 -0.347 1.00 0.00 H new ATOM 1114 N GLU A 74 2.840 -6.768 -3.295 1.00 0.00 N ATOM 1115 CA GLU A 74 2.626 -5.415 -3.778 1.00 0.00 C ATOM 1116 C GLU A 74 1.266 -4.893 -3.309 1.00 0.00 C ATOM 1117 O GLU A 74 0.242 -5.542 -3.518 1.00 0.00 O ATOM 1118 CB GLU A 74 2.741 -5.352 -5.303 1.00 0.00 C ATOM 1119 CG GLU A 74 4.101 -4.795 -5.727 1.00 0.00 C ATOM 1120 CD GLU A 74 4.401 -5.134 -7.189 1.00 0.00 C ATOM 1121 OE1 GLU A 74 4.083 -6.277 -7.582 1.00 0.00 O ATOM 1122 OE2 GLU A 74 4.940 -4.243 -7.879 1.00 0.00 O ATOM 0 H GLU A 74 1.989 -7.315 -3.168 1.00 0.00 H new ATOM 0 HA GLU A 74 3.403 -4.774 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.605 -6.349 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.946 -4.725 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.114 -3.714 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.882 -5.206 -5.087 1.00 0.00 H new ATOM 1129 N LEU A 75 1.299 -3.725 -2.684 1.00 0.00 N ATOM 1130 CA LEU A 75 0.083 -3.109 -2.184 1.00 0.00 C ATOM 1131 C LEU A 75 -0.253 -1.886 -3.039 1.00 0.00 C ATOM 1132 O LEU A 75 0.643 -1.222 -3.558 1.00 0.00 O ATOM 1133 CB LEU A 75 0.214 -2.799 -0.691 1.00 0.00 C ATOM 1134 CG LEU A 75 0.326 -4.009 0.238 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.553 -3.893 1.144 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.963 -4.206 1.039 1.00 0.00 C ATOM 0 H LEU A 75 2.150 -3.189 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.757 -3.799 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.094 -2.172 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.651 -2.210 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 75 0.463 -4.900 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.609 -4.766 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.453 -3.838 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.472 -2.992 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.857 -5.073 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.156 -3.319 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.796 -4.367 0.354 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.547 -1.625 -3.159 1.00 0.00 N ATOM 1149 CA ILE A 76 -2.012 -0.493 -3.943 1.00 0.00 C ATOM 1150 C ILE A 76 -2.727 0.499 -3.023 1.00 0.00 C ATOM 1151 O ILE A 76 -3.785 0.192 -2.475 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.869 -0.970 -5.117 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -2.048 -1.829 -6.081 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.533 0.212 -5.827 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.954 -2.544 -7.085 1.00 0.00 C ATOM 0 H ILE A 76 -2.287 -2.178 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.168 0.035 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.667 -1.600 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.333 -1.202 -6.613 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.471 -2.563 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.136 -0.155 -6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.171 0.747 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.765 0.886 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.346 -3.148 -7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.652 -3.188 -6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.511 -1.806 -7.662 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.121 1.669 -2.881 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.686 2.707 -2.037 1.00 0.00 C ATOM 1169 C VAL A 77 -3.548 3.640 -2.891 1.00 0.00 C ATOM 1170 O VAL A 77 -3.024 4.475 -3.626 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.570 3.441 -1.292 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.136 4.579 -0.439 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.752 2.471 -0.438 1.00 0.00 C ATOM 0 H VAL A 77 -1.244 1.921 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.334 2.270 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.903 3.879 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.322 5.084 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.655 5.291 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.835 4.173 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.035 3.018 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.403 1.991 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.304 1.711 -1.078 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.856 3.465 -2.766 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.795 4.280 -3.518 1.00 0.00 C ATOM 1185 C GLU A 78 -6.444 5.321 -2.603 1.00 0.00 C ATOM 1186 O GLU A 78 -6.443 5.167 -1.383 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.854 3.410 -4.198 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.564 3.261 -5.692 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.790 3.633 -6.529 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -8.479 4.596 -6.129 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -8.011 2.945 -7.549 1.00 0.00 O ATOM 0 H GLU A 78 -5.287 2.771 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.247 4.804 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.878 2.426 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.839 3.854 -4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.724 3.898 -5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.270 2.234 -5.908 1.00 0.00 H new ATOM 1198 N VAL A 79 -6.984 6.357 -3.228 1.00 0.00 N ATOM 1199 CA VAL A 79 -7.636 7.422 -2.486 1.00 0.00 C ATOM 1200 C VAL A 79 -9.143 7.371 -2.746 1.00 0.00 C ATOM 1201 O VAL A 79 -9.583 7.480 -3.889 1.00 0.00 O ATOM 1202 CB VAL A 79 -7.012 8.771 -2.851 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -6.863 8.914 -4.367 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -7.827 9.927 -2.268 1.00 0.00 C ATOM 0 H VAL A 79 -6.983 6.481 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.486 7.288 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.015 8.809 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.417 9.881 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.222 8.118 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.844 8.844 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.362 10.874 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.842 9.893 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.858 9.839 -1.182 1.00 0.00 H new ATOM 1214 N LEU A 80 -9.891 7.205 -1.665 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.340 7.138 -1.761 1.00 0.00 C ATOM 1216 C LEU A 80 -11.867 8.437 -2.373 1.00 0.00 C ATOM 1217 O LEU A 80 -11.937 9.462 -1.696 1.00 0.00 O ATOM 1218 CB LEU A 80 -11.952 6.807 -0.399 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.567 5.452 0.198 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -11.985 5.361 1.667 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.141 4.303 -0.633 1.00 0.00 C ATOM 0 H LEU A 80 -9.521 7.115 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.641 6.328 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.664 7.587 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.037 6.846 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.481 5.361 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.700 4.388 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.488 6.147 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.065 5.483 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.852 3.351 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.228 4.378 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.752 4.360 -1.650 1.00 0.00 H new