USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 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 61 THR OG1 : rot 172:sc= 1.36 USER MOD Set 1.2: A 68 GLN : amide:sc= -6.34! C(o=-5!,f=-6.6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.356 USER MOD Single : A 17 ASN : amide:sc= 0.0306 K(o=0.031,f=-0.56) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -1.36 (180deg=-2.21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -14.7! C(o=-15!,f=-14!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -123:sc= 0.15 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= -0.0929 (180deg=-0.171) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -163:sc= -0.0152 (180deg=-0.206) USER MOD Single : A 75 SER OG : rot 140:sc= -0.064 USER MOD Single : A 77 GLN : amide:sc= -8.43! K(o=-8.4!,f=-1.5) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 10:sc= 0.341 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 96 THR OG1 : rot 180:sc=-0.00571 USER MOD Single : A 98 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.343 -5.000 -2.409 1.00 0.00 N ATOM 91 CA VAL A 7 -14.405 -3.751 -1.669 1.00 0.00 C ATOM 92 C VAL A 7 -13.408 -2.711 -2.180 1.00 0.00 C ATOM 93 O VAL A 7 -13.807 -1.654 -2.665 1.00 0.00 O ATOM 94 CB VAL A 7 -14.208 -3.960 -0.140 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.250 -3.181 0.637 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.263 -5.436 0.237 1.00 0.00 C ATOM 0 HA VAL A 7 -15.411 -3.367 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.217 -3.587 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.099 -3.337 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.156 -2.119 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.245 -3.525 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.121 -5.542 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.233 -5.847 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.474 -5.975 -0.288 1.00 0.00 H new ATOM 106 N PRO A 8 -12.089 -2.958 -2.047 1.00 0.00 N ATOM 107 CA PRO A 8 -11.059 -2.018 -2.450 1.00 0.00 C ATOM 108 C PRO A 8 -10.260 -2.462 -3.693 1.00 0.00 C ATOM 109 O PRO A 8 -10.836 -2.757 -4.740 1.00 0.00 O ATOM 110 CB PRO A 8 -10.203 -2.071 -1.191 1.00 0.00 C ATOM 111 CG PRO A 8 -10.176 -3.535 -0.858 1.00 0.00 C ATOM 112 CD PRO A 8 -11.450 -4.132 -1.438 1.00 0.00 C ATOM 0 HA PRO A 8 -11.432 -1.039 -2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.201 -1.679 -1.368 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.637 -1.482 -0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.294 -4.014 -1.284 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.132 -3.687 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.239 -4.908 -2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.076 -4.584 -0.668 1.00 0.00 H new ATOM 120 N LEU A 9 -8.928 -2.487 -3.561 1.00 0.00 N ATOM 121 CA LEU A 9 -8.020 -2.863 -4.641 1.00 0.00 C ATOM 122 C LEU A 9 -8.278 -4.279 -5.151 1.00 0.00 C ATOM 123 O LEU A 9 -8.250 -5.244 -4.388 1.00 0.00 O ATOM 124 CB LEU A 9 -6.574 -2.773 -4.119 1.00 0.00 C ATOM 125 CG LEU A 9 -5.429 -2.927 -5.146 1.00 0.00 C ATOM 126 CD1 LEU A 9 -5.916 -3.485 -6.467 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.720 -1.602 -5.379 1.00 0.00 C ATOM 0 H LEU A 9 -8.451 -2.244 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.186 -2.179 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.455 -1.808 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.445 -3.540 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.724 -3.640 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.076 -3.575 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.360 -4.467 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.663 -2.815 -6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.920 -1.741 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.433 -0.870 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.299 -1.244 -4.439 1.00 0.00 H new ATOM 139 N THR A 10 -8.475 -4.394 -6.463 1.00 0.00 N ATOM 140 CA THR A 10 -8.671 -5.687 -7.097 1.00 0.00 C ATOM 141 C THR A 10 -7.360 -6.141 -7.732 1.00 0.00 C ATOM 142 O THR A 10 -6.803 -5.451 -8.586 1.00 0.00 O ATOM 143 CB THR A 10 -9.759 -5.619 -8.164 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.028 -5.387 -7.579 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.851 -6.886 -8.988 1.00 0.00 C ATOM 0 H THR A 10 -8.502 -3.602 -7.105 1.00 0.00 H new ATOM 0 HA THR A 10 -8.986 -6.401 -6.336 1.00 0.00 H new ATOM 0 HB THR A 10 -9.479 -4.793 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.710 -5.346 -8.282 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.642 -6.780 -9.731 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.901 -7.062 -9.492 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.077 -7.729 -8.335 1.00 0.00 H new ATOM 153 N PHE A 11 -6.870 -7.293 -7.308 1.00 0.00 N ATOM 154 CA PHE A 11 -5.621 -7.831 -7.830 1.00 0.00 C ATOM 155 C PHE A 11 -5.872 -8.684 -9.072 1.00 0.00 C ATOM 156 O PHE A 11 -7.010 -8.828 -9.517 1.00 0.00 O ATOM 157 CB PHE A 11 -4.917 -8.647 -6.753 1.00 0.00 C ATOM 158 CG PHE A 11 -5.565 -9.956 -6.486 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.677 -10.047 -5.674 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.055 -11.094 -7.059 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.272 -11.269 -5.438 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.636 -12.316 -6.831 1.00 0.00 C ATOM 163 CZ PHE A 11 -6.747 -12.407 -6.018 1.00 0.00 C ATOM 0 H PHE A 11 -7.318 -7.877 -6.602 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.979 -6.999 -8.119 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.883 -8.817 -7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.889 -8.069 -5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.084 -9.156 -5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.186 -11.027 -7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.143 -11.335 -4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.225 -13.204 -7.287 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.206 -13.368 -5.835 1.00 0.00 H new ATOM 173 N THR A 12 -4.801 -9.239 -9.633 1.00 0.00 N ATOM 174 CA THR A 12 -4.914 -10.068 -10.833 1.00 0.00 C ATOM 175 C THR A 12 -5.295 -11.506 -10.480 1.00 0.00 C ATOM 176 O THR A 12 -5.781 -11.779 -9.390 1.00 0.00 O ATOM 177 CB THR A 12 -3.599 -10.047 -11.620 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.812 -10.462 -12.961 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.530 -10.936 -11.020 1.00 0.00 C ATOM 0 H THR A 12 -3.850 -9.132 -9.280 1.00 0.00 H new ATOM 0 HA THR A 12 -5.707 -9.652 -11.454 1.00 0.00 H new ATOM 0 HB THR A 12 -3.250 -9.015 -11.580 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.962 -10.441 -13.449 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.625 -10.876 -11.625 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.311 -10.607 -10.004 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.884 -11.967 -10.999 1.00 0.00 H new ATOM 187 N ASP A 13 -5.070 -12.424 -11.413 1.00 0.00 N ATOM 188 CA ASP A 13 -5.381 -13.830 -11.193 1.00 0.00 C ATOM 189 C ASP A 13 -4.180 -14.569 -10.622 1.00 0.00 C ATOM 190 O ASP A 13 -4.311 -15.402 -9.730 1.00 0.00 O ATOM 191 CB ASP A 13 -5.809 -14.481 -12.503 1.00 0.00 C ATOM 192 CG ASP A 13 -7.036 -13.827 -13.107 1.00 0.00 C ATOM 193 OD1 ASP A 13 -7.227 -12.611 -12.888 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.802 -14.518 -13.794 1.00 0.00 O ATOM 0 H ASP A 13 -4.673 -12.219 -12.330 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.198 -13.889 -10.474 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.986 -14.429 -13.216 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.014 -15.537 -12.329 1.00 0.00 H new ATOM 199 N ALA A 14 -3.011 -14.264 -11.163 1.00 0.00 N ATOM 200 CA ALA A 14 -1.777 -14.902 -10.734 1.00 0.00 C ATOM 201 C ALA A 14 -1.498 -14.642 -9.263 1.00 0.00 C ATOM 202 O ALA A 14 -1.099 -15.548 -8.533 1.00 0.00 O ATOM 203 CB ALA A 14 -0.613 -14.432 -11.591 1.00 0.00 C ATOM 0 H ALA A 14 -2.891 -13.574 -11.905 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.895 -15.978 -10.862 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.304 -14.918 -11.258 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.802 -14.689 -12.633 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.505 -13.351 -11.497 1.00 0.00 H new ATOM 209 N ALA A 15 -1.722 -13.410 -8.813 1.00 0.00 N ATOM 210 CA ALA A 15 -1.503 -13.085 -7.410 1.00 0.00 C ATOM 211 C ALA A 15 -2.252 -14.091 -6.550 1.00 0.00 C ATOM 212 O ALA A 15 -1.788 -14.493 -5.481 1.00 0.00 O ATOM 213 CB ALA A 15 -1.934 -11.657 -7.110 1.00 0.00 C ATOM 0 H ALA A 15 -2.049 -12.634 -9.389 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.439 -13.147 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.761 -11.438 -6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.356 -10.966 -7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.994 -11.542 -7.335 1.00 0.00 H new ATOM 219 N ALA A 16 -3.392 -14.537 -7.066 1.00 0.00 N ATOM 220 CA ALA A 16 -4.192 -15.547 -6.395 1.00 0.00 C ATOM 221 C ALA A 16 -3.484 -16.883 -6.494 1.00 0.00 C ATOM 222 O ALA A 16 -3.424 -17.655 -5.537 1.00 0.00 O ATOM 223 CB ALA A 16 -5.550 -15.663 -7.056 1.00 0.00 C ATOM 0 H ALA A 16 -3.782 -14.211 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.324 -15.262 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.140 -16.423 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.065 -14.704 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.423 -15.945 -8.101 1.00 0.00 H new ATOM 229 N ASN A 17 -2.957 -17.136 -7.686 1.00 0.00 N ATOM 230 CA ASN A 17 -2.249 -18.366 -7.983 1.00 0.00 C ATOM 231 C ASN A 17 -1.105 -18.607 -7.007 1.00 0.00 C ATOM 232 O ASN A 17 -0.977 -19.690 -6.444 1.00 0.00 O ATOM 233 CB ASN A 17 -1.702 -18.322 -9.410 1.00 0.00 C ATOM 234 CG ASN A 17 -2.754 -18.617 -10.463 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.624 -19.560 -11.243 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.802 -17.806 -10.492 1.00 0.00 N ATOM 0 H ASN A 17 -3.011 -16.489 -8.473 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.958 -19.188 -7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.275 -17.337 -9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.891 -19.044 -9.504 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.541 -17.952 -11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.870 -17.036 -9.826 1.00 0.00 H new ATOM 243 N LYS A 18 -0.265 -17.592 -6.803 1.00 0.00 N ATOM 244 CA LYS A 18 0.861 -17.724 -5.891 1.00 0.00 C ATOM 245 C LYS A 18 0.371 -18.118 -4.504 1.00 0.00 C ATOM 246 O LYS A 18 1.062 -18.817 -3.766 1.00 0.00 O ATOM 247 CB LYS A 18 1.670 -16.424 -5.838 1.00 0.00 C ATOM 248 CG LYS A 18 0.988 -15.294 -5.080 1.00 0.00 C ATOM 249 CD LYS A 18 1.869 -14.772 -3.958 1.00 0.00 C ATOM 250 CE LYS A 18 1.047 -14.128 -2.854 1.00 0.00 C ATOM 251 NZ LYS A 18 1.853 -13.911 -1.621 1.00 0.00 N ATOM 0 H LYS A 18 -0.345 -16.680 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 18 1.518 -18.512 -6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.634 -16.628 -5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.871 -16.093 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.752 -14.482 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.043 -15.648 -4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.456 -15.592 -3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.575 -14.045 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.653 -13.174 -3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.190 -14.761 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.224 -13.899 -0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.545 -14.680 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.353 -13.002 -1.689 1.00 0.00 H new ATOM 265 N VAL A 19 -0.839 -17.679 -4.170 1.00 0.00 N ATOM 266 CA VAL A 19 -1.438 -17.996 -2.886 1.00 0.00 C ATOM 267 C VAL A 19 -1.944 -19.434 -2.880 1.00 0.00 C ATOM 268 O VAL A 19 -1.393 -20.288 -2.195 1.00 0.00 O ATOM 269 CB VAL A 19 -2.611 -17.045 -2.569 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.271 -17.410 -1.246 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.137 -15.600 -2.555 1.00 0.00 C ATOM 0 H VAL A 19 -1.422 -17.101 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.670 -17.873 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.358 -17.155 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.094 -16.723 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.654 -18.429 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.538 -17.339 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.978 -14.944 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.367 -15.477 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.727 -15.342 -3.531 1.00 0.00 H new ATOM 281 N LYS A 20 -2.993 -19.679 -3.654 1.00 0.00 N ATOM 282 CA LYS A 20 -3.598 -21.006 -3.758 1.00 0.00 C ATOM 283 C LYS A 20 -2.583 -22.073 -4.134 1.00 0.00 C ATOM 284 O LYS A 20 -2.840 -23.267 -3.960 1.00 0.00 O ATOM 285 CB LYS A 20 -4.701 -21.000 -4.811 1.00 0.00 C ATOM 286 CG LYS A 20 -4.254 -20.452 -6.156 1.00 0.00 C ATOM 287 CD LYS A 20 -3.799 -21.569 -7.089 1.00 0.00 C ATOM 288 CE LYS A 20 -4.899 -22.584 -7.322 1.00 0.00 C ATOM 289 NZ LYS A 20 -4.668 -23.378 -8.562 1.00 0.00 N ATOM 0 H LYS A 20 -3.449 -18.969 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.004 -21.244 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.068 -22.017 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.538 -20.405 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.074 -19.902 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.439 -19.744 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.488 -21.143 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.928 -22.067 -6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.960 -23.256 -6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.858 -22.071 -7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.442 -24.061 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.635 -22.739 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.765 -23.888 -8.484 1.00 0.00 H new ATOM 303 N SER A 21 -1.459 -21.660 -4.697 1.00 0.00 N ATOM 304 CA SER A 21 -0.455 -22.610 -5.139 1.00 0.00 C ATOM 305 C SER A 21 0.531 -22.979 -4.037 1.00 0.00 C ATOM 306 O SER A 21 0.842 -24.157 -3.848 1.00 0.00 O ATOM 307 CB SER A 21 0.303 -22.061 -6.347 1.00 0.00 C ATOM 308 OG SER A 21 1.220 -23.018 -6.852 1.00 0.00 O ATOM 0 H SER A 21 -1.221 -20.681 -4.857 1.00 0.00 H new ATOM 0 HA SER A 21 -0.987 -23.520 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.404 -21.783 -7.128 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.838 -21.154 -6.064 1.00 0.00 H new ATOM 0 HG SER A 21 1.691 -22.643 -7.625 1.00 0.00 H new ATOM 314 N LEU A 22 1.031 -21.986 -3.319 1.00 0.00 N ATOM 315 CA LEU A 22 1.989 -22.253 -2.259 1.00 0.00 C ATOM 316 C LEU A 22 1.277 -22.676 -0.985 1.00 0.00 C ATOM 317 O LEU A 22 1.841 -23.392 -0.165 1.00 0.00 O ATOM 318 CB LEU A 22 2.909 -21.033 -2.031 1.00 0.00 C ATOM 319 CG LEU A 22 2.609 -20.134 -0.820 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.247 -19.489 -0.962 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.713 -20.901 0.486 1.00 0.00 C ATOM 0 H LEU A 22 0.794 -21.002 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 22 2.625 -23.083 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.932 -21.397 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.874 -20.413 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 22 3.363 -19.347 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.052 -18.857 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.224 -18.882 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.483 -20.263 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.494 -20.233 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.997 -21.723 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.722 -21.299 0.595 1.00 0.00 H new ATOM 333 N ILE A 23 0.028 -22.256 -0.832 1.00 0.00 N ATOM 334 CA ILE A 23 -0.749 -22.624 0.327 1.00 0.00 C ATOM 335 C ILE A 23 -1.137 -24.084 0.251 1.00 0.00 C ATOM 336 O ILE A 23 -0.936 -24.851 1.188 1.00 0.00 O ATOM 337 CB ILE A 23 -1.998 -21.765 0.464 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.840 -21.849 -0.792 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.608 -20.324 0.727 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.970 -22.852 -0.695 1.00 0.00 C ATOM 0 H ILE A 23 -0.462 -21.661 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.128 -22.456 1.207 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.585 -22.137 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.256 -20.865 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.199 -22.116 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.507 -19.716 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.030 -20.266 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.006 -19.953 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.531 -22.859 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.560 -23.845 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.633 -22.575 0.124 1.00 0.00 H new ATOM 352 N SER A 24 -1.659 -24.483 -0.902 1.00 0.00 N ATOM 353 CA SER A 24 -2.032 -25.858 -1.125 1.00 0.00 C ATOM 354 C SER A 24 -0.815 -26.742 -0.903 1.00 0.00 C ATOM 355 O SER A 24 -0.937 -27.929 -0.580 1.00 0.00 O ATOM 356 CB SER A 24 -2.561 -26.048 -2.547 1.00 0.00 C ATOM 357 OG SER A 24 -3.971 -25.919 -2.589 1.00 0.00 O ATOM 0 H SER A 24 -1.831 -23.865 -1.695 1.00 0.00 H new ATOM 0 HA SER A 24 -2.823 -26.133 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.106 -25.311 -3.209 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.272 -27.031 -2.917 1.00 0.00 H new ATOM 0 HG SER A 24 -4.284 -26.043 -3.509 1.00 0.00 H new ATOM 363 N GLU A 25 0.360 -26.142 -1.076 1.00 0.00 N ATOM 364 CA GLU A 25 1.612 -26.849 -0.888 1.00 0.00 C ATOM 365 C GLU A 25 1.949 -26.937 0.591 1.00 0.00 C ATOM 366 O GLU A 25 2.735 -27.787 1.005 1.00 0.00 O ATOM 367 CB GLU A 25 2.740 -26.127 -1.642 1.00 0.00 C ATOM 368 CG GLU A 25 3.542 -27.055 -2.548 1.00 0.00 C ATOM 369 CD GLU A 25 4.935 -26.528 -2.824 1.00 0.00 C ATOM 370 OE1 GLU A 25 5.058 -25.464 -3.464 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.913 -27.182 -2.390 1.00 0.00 O ATOM 0 H GLU A 25 0.465 -25.164 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 25 1.508 -27.859 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.312 -25.324 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.412 -25.663 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.614 -28.039 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.012 -27.185 -3.491 1.00 0.00 H new ATOM 378 N GLU A 26 1.343 -26.068 1.404 1.00 0.00 N ATOM 379 CA GLU A 26 1.577 -26.081 2.835 1.00 0.00 C ATOM 380 C GLU A 26 0.741 -27.163 3.487 1.00 0.00 C ATOM 381 O GLU A 26 1.006 -27.577 4.619 1.00 0.00 O ATOM 382 CB GLU A 26 1.252 -24.727 3.447 1.00 0.00 C ATOM 383 CG GLU A 26 2.188 -23.623 2.994 1.00 0.00 C ATOM 384 CD GLU A 26 1.730 -22.250 3.441 1.00 0.00 C ATOM 385 OE1 GLU A 26 0.536 -21.933 3.258 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.569 -21.493 3.978 1.00 0.00 O ATOM 0 H GLU A 26 0.689 -25.351 1.089 1.00 0.00 H new ATOM 0 HA GLU A 26 2.632 -26.291 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.229 -24.455 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.295 -24.807 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.187 -23.814 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.265 -23.640 1.907 1.00 0.00 H new ATOM 393 N GLU A 27 -0.284 -27.613 2.774 1.00 0.00 N ATOM 394 CA GLU A 27 -1.193 -28.630 3.272 1.00 0.00 C ATOM 395 C GLU A 27 -2.219 -27.995 4.191 1.00 0.00 C ATOM 396 O GLU A 27 -2.964 -28.687 4.884 1.00 0.00 O ATOM 397 CB GLU A 27 -0.433 -29.736 4.013 1.00 0.00 C ATOM 398 CG GLU A 27 -1.009 -31.130 3.799 1.00 0.00 C ATOM 399 CD GLU A 27 -0.249 -32.201 4.565 1.00 0.00 C ATOM 400 OE1 GLU A 27 -0.420 -32.280 5.800 1.00 0.00 O ATOM 401 OE2 GLU A 27 0.514 -32.955 3.927 1.00 0.00 O ATOM 0 H GLU A 27 -0.506 -27.282 1.835 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.701 -29.083 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.607 -29.729 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.435 -29.513 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.054 -31.139 4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.991 -31.367 2.735 1.00 0.00 H new ATOM 408 N ASN A 28 -2.264 -26.655 4.186 1.00 0.00 N ATOM 409 CA ASN A 28 -3.217 -25.939 5.021 1.00 0.00 C ATOM 410 C ASN A 28 -4.618 -26.410 4.701 1.00 0.00 C ATOM 411 O ASN A 28 -5.252 -27.094 5.509 1.00 0.00 O ATOM 412 CB ASN A 28 -3.159 -24.425 4.804 1.00 0.00 C ATOM 413 CG ASN A 28 -1.815 -23.929 4.332 1.00 0.00 C ATOM 414 OD1 ASN A 28 -0.833 -23.933 5.081 1.00 0.00 O ATOM 415 ND2 ASN A 28 -1.765 -23.504 3.085 1.00 0.00 N ATOM 0 H ASN A 28 -1.659 -26.060 3.620 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.955 -26.147 6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.917 -24.143 4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.414 -23.923 5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.887 -23.158 2.699 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.605 -23.521 2.506 1.00 0.00 H new ATOM 422 N THR A 29 -5.096 -26.027 3.514 1.00 0.00 N ATOM 423 CA THR A 29 -6.446 -26.406 3.076 1.00 0.00 C ATOM 424 C THR A 29 -6.973 -25.489 1.964 1.00 0.00 C ATOM 425 O THR A 29 -7.531 -25.963 0.980 1.00 0.00 O ATOM 426 CB THR A 29 -7.414 -26.322 4.256 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.765 -26.310 3.805 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.188 -25.098 5.110 1.00 0.00 C ATOM 0 H THR A 29 -4.576 -25.461 2.844 1.00 0.00 H new ATOM 0 HA THR A 29 -6.382 -27.423 2.690 1.00 0.00 H new ATOM 0 HB THR A 29 -7.222 -27.208 4.862 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.367 -26.257 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.904 -25.091 5.932 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.175 -25.116 5.511 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.322 -24.202 4.504 1.00 0.00 H new ATOM 436 N ASP A 30 -6.817 -24.191 2.159 1.00 0.00 N ATOM 437 CA ASP A 30 -7.305 -23.198 1.205 1.00 0.00 C ATOM 438 C ASP A 30 -7.116 -21.818 1.803 1.00 0.00 C ATOM 439 O ASP A 30 -8.071 -21.132 2.169 1.00 0.00 O ATOM 440 CB ASP A 30 -8.783 -23.436 0.876 1.00 0.00 C ATOM 441 CG ASP A 30 -8.973 -24.128 -0.457 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.648 -23.520 -1.498 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.449 -25.282 -0.463 1.00 0.00 O ATOM 0 H ASP A 30 -6.353 -23.793 2.975 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.741 -23.282 0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.235 -24.039 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.308 -22.481 0.865 1.00 0.00 H new ATOM 448 N LEU A 31 -5.859 -21.450 1.937 1.00 0.00 N ATOM 449 CA LEU A 31 -5.473 -20.201 2.527 1.00 0.00 C ATOM 450 C LEU A 31 -6.045 -18.999 1.801 1.00 0.00 C ATOM 451 O LEU A 31 -6.342 -19.042 0.607 1.00 0.00 O ATOM 452 CB LEU A 31 -3.956 -20.125 2.540 1.00 0.00 C ATOM 453 CG LEU A 31 -3.331 -20.082 3.921 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.960 -18.978 4.736 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.499 -21.423 4.614 1.00 0.00 C ATOM 0 H LEU A 31 -5.072 -22.023 1.633 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.877 -20.169 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.559 -20.987 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.646 -19.237 1.989 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.265 -19.878 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.506 -18.953 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.799 -18.022 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.030 -19.161 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.046 -21.380 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.560 -21.653 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.011 -22.200 4.026 1.00 0.00 H new ATOM 467 N LYS A 32 -6.174 -17.922 2.558 1.00 0.00 N ATOM 468 CA LYS A 32 -6.689 -16.667 2.051 1.00 0.00 C ATOM 469 C LYS A 32 -5.611 -15.601 2.183 1.00 0.00 C ATOM 470 O LYS A 32 -5.103 -15.356 3.277 1.00 0.00 O ATOM 471 CB LYS A 32 -7.947 -16.261 2.824 1.00 0.00 C ATOM 472 CG LYS A 32 -8.872 -17.428 3.142 1.00 0.00 C ATOM 473 CD LYS A 32 -9.424 -17.329 4.553 1.00 0.00 C ATOM 474 CE LYS A 32 -10.215 -16.052 4.743 1.00 0.00 C ATOM 475 NZ LYS A 32 -10.434 -15.746 6.179 1.00 0.00 N ATOM 0 H LYS A 32 -5.922 -17.897 3.546 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.959 -16.777 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.651 -15.779 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.497 -15.521 2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.695 -17.447 2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.329 -18.366 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.062 -18.189 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.604 -17.362 5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.686 -15.224 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.178 -16.143 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.454 -15.665 6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.036 -16.510 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.966 -14.849 6.418 1.00 0.00 H new ATOM 489 N LEU A 33 -5.242 -14.985 1.068 1.00 0.00 N ATOM 490 CA LEU A 33 -4.204 -13.973 1.073 1.00 0.00 C ATOM 491 C LEU A 33 -4.573 -12.816 1.991 1.00 0.00 C ATOM 492 O LEU A 33 -5.732 -12.413 2.070 1.00 0.00 O ATOM 493 CB LEU A 33 -3.978 -13.470 -0.351 1.00 0.00 C ATOM 494 CG LEU A 33 -2.662 -12.728 -0.595 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.705 -11.329 0.006 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.486 -13.517 -0.037 1.00 0.00 C ATOM 0 H LEU A 33 -5.648 -15.171 0.151 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.283 -14.418 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.023 -14.323 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.801 -12.807 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.527 -12.629 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.758 -10.823 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.516 -10.762 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.872 -11.400 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.561 -12.971 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.617 -13.656 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.436 -14.490 -0.525 1.00 0.00 H new ATOM 508 N ARG A 34 -3.568 -12.279 2.673 1.00 0.00 N ATOM 509 CA ARG A 34 -3.771 -11.159 3.577 1.00 0.00 C ATOM 510 C ARG A 34 -2.695 -10.107 3.350 1.00 0.00 C ATOM 511 O ARG A 34 -1.589 -10.200 3.877 1.00 0.00 O ATOM 512 CB ARG A 34 -3.770 -11.627 5.031 1.00 0.00 C ATOM 513 CG ARG A 34 -3.947 -10.499 6.035 1.00 0.00 C ATOM 514 CD ARG A 34 -2.660 -10.218 6.796 1.00 0.00 C ATOM 515 NE ARG A 34 -2.322 -11.300 7.719 1.00 0.00 N ATOM 516 CZ ARG A 34 -1.456 -11.174 8.720 1.00 0.00 C ATOM 517 NH1 ARG A 34 -0.839 -10.019 8.934 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.206 -12.206 9.509 1.00 0.00 N ATOM 0 H ARG A 34 -2.603 -12.604 2.615 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.745 -10.716 3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.570 -12.354 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.832 -12.142 5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.267 -9.596 5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.737 -10.759 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.843 -10.077 6.088 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.764 -9.286 7.352 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.777 -12.204 7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.028 -9.220 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.176 -9.930 9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.677 -13.096 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.542 -12.111 10.277 1.00 0.00 H new ATOM 532 N VAL A 35 -3.028 -9.124 2.533 1.00 0.00 N ATOM 533 CA VAL A 35 -2.100 -8.059 2.188 1.00 0.00 C ATOM 534 C VAL A 35 -1.864 -7.082 3.330 1.00 0.00 C ATOM 535 O VAL A 35 -2.717 -6.879 4.193 1.00 0.00 O ATOM 536 CB VAL A 35 -2.610 -7.268 0.978 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.551 -6.300 0.479 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.044 -8.211 -0.123 1.00 0.00 C ATOM 0 H VAL A 35 -3.944 -9.040 2.091 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.155 -8.552 1.958 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.476 -6.683 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.936 -5.750 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.295 -5.599 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.660 -6.855 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.404 -7.634 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.197 -8.825 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.844 -8.854 0.243 1.00 0.00 H new ATOM 548 N TYR A 36 -0.691 -6.464 3.294 1.00 0.00 N ATOM 549 CA TYR A 36 -0.291 -5.473 4.284 1.00 0.00 C ATOM 550 C TYR A 36 0.538 -4.390 3.607 1.00 0.00 C ATOM 551 O TYR A 36 0.769 -4.443 2.399 1.00 0.00 O ATOM 552 CB TYR A 36 0.511 -6.117 5.420 1.00 0.00 C ATOM 553 CG TYR A 36 1.227 -7.385 5.018 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.518 -8.551 4.772 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.609 -7.413 4.881 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.163 -9.713 4.401 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.264 -8.571 4.509 1.00 0.00 C ATOM 558 CZ TYR A 36 2.537 -9.719 4.270 1.00 0.00 C ATOM 559 OH TYR A 36 3.184 -10.875 3.900 1.00 0.00 O ATOM 0 H TYR A 36 0.012 -6.636 2.575 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.189 -5.032 4.717 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.243 -5.398 5.788 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.163 -6.338 6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.557 -8.550 4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.180 -6.516 5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.596 -10.613 4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.339 -8.578 4.406 1.00 0.00 H new ATOM 0 HH TYR A 36 4.149 -10.709 3.852 1.00 0.00 H new ATOM 569 N ILE A 37 0.984 -3.410 4.378 1.00 0.00 N ATOM 570 CA ILE A 37 1.785 -2.327 3.825 1.00 0.00 C ATOM 571 C ILE A 37 3.270 -2.673 3.871 1.00 0.00 C ATOM 572 O ILE A 37 3.874 -2.728 4.943 1.00 0.00 O ATOM 573 CB ILE A 37 1.523 -0.998 4.565 1.00 0.00 C ATOM 574 CG1 ILE A 37 0.135 -0.467 4.208 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.585 0.032 4.217 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.039 -0.191 2.731 1.00 0.00 C ATOM 0 H ILE A 37 0.807 -3.341 5.380 1.00 0.00 H new ATOM 0 HA ILE A 37 1.488 -2.199 2.784 1.00 0.00 H new ATOM 0 HB ILE A 37 1.568 -1.185 5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.616 -1.190 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.050 0.451 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.380 0.960 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.566 -0.344 4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.572 0.220 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.046 0.183 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.689 0.555 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.114 -1.112 2.168 1.00 0.00 H new ATOM 672 N GLN A 46 3.248 -1.831 -3.808 1.00 0.00 N ATOM 673 CA GLN A 46 3.698 -3.202 -3.607 1.00 0.00 C ATOM 674 C GLN A 46 2.786 -3.950 -2.642 1.00 0.00 C ATOM 675 O GLN A 46 1.932 -4.724 -3.067 1.00 0.00 O ATOM 676 CB GLN A 46 5.139 -3.212 -3.108 1.00 0.00 C ATOM 677 CG GLN A 46 6.038 -2.263 -3.877 1.00 0.00 C ATOM 678 CD GLN A 46 7.459 -2.282 -3.366 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.970 -1.282 -2.862 1.00 0.00 O ATOM 680 NE2 GLN A 46 8.106 -3.430 -3.494 1.00 0.00 N ATOM 0 HA GLN A 46 3.654 -3.719 -4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.154 -2.943 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.537 -4.224 -3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.030 -2.533 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.641 -1.250 -3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.641 -4.233 -3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.069 -3.512 -3.168 1.00 0.00 H new ATOM 689 N TYR A 47 2.966 -3.717 -1.345 1.00 0.00 N ATOM 690 CA TYR A 47 2.148 -4.374 -0.328 1.00 0.00 C ATOM 691 C TYR A 47 2.562 -5.829 -0.148 1.00 0.00 C ATOM 692 O TYR A 47 2.561 -6.611 -1.100 1.00 0.00 O ATOM 693 CB TYR A 47 0.666 -4.292 -0.696 1.00 0.00 C ATOM 694 CG TYR A 47 0.255 -2.943 -1.231 1.00 0.00 C ATOM 695 CD1 TYR A 47 0.191 -1.836 -0.396 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.065 -2.775 -2.571 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.183 -0.598 -0.880 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.441 -1.540 -3.064 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.498 -0.455 -2.215 1.00 0.00 C ATOM 700 OH TYR A 47 -0.869 0.777 -2.702 1.00 0.00 O ATOM 0 H TYR A 47 3.670 -3.079 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 47 2.307 -3.853 0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.442 -5.054 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.067 -4.523 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.438 -1.945 0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.019 -3.623 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.229 0.253 -0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.689 -1.425 -4.109 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.057 0.707 -3.661 1.00 0.00 H new ATOM 710 N GLY A 48 2.915 -6.182 1.081 1.00 0.00 N ATOM 711 CA GLY A 48 3.329 -7.542 1.375 1.00 0.00 C ATOM 712 C GLY A 48 2.156 -8.495 1.479 1.00 0.00 C ATOM 713 O GLY A 48 1.168 -8.205 2.152 1.00 0.00 O ATOM 0 H GLY A 48 2.922 -5.550 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.007 -7.889 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.887 -7.554 2.311 1.00 0.00 H new ATOM 717 N PHE A 49 2.259 -9.627 0.793 1.00 0.00 N ATOM 718 CA PHE A 49 1.196 -10.623 0.792 1.00 0.00 C ATOM 719 C PHE A 49 1.525 -11.824 1.671 1.00 0.00 C ATOM 720 O PHE A 49 2.620 -12.383 1.602 1.00 0.00 O ATOM 721 CB PHE A 49 0.945 -11.104 -0.633 1.00 0.00 C ATOM 722 CG PHE A 49 0.029 -10.212 -1.405 1.00 0.00 C ATOM 723 CD1 PHE A 49 0.117 -8.838 -1.282 1.00 0.00 C ATOM 724 CD2 PHE A 49 -0.930 -10.750 -2.241 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.733 -8.012 -1.983 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.790 -9.933 -2.943 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.692 -8.560 -2.815 1.00 0.00 C ATOM 0 H PHE A 49 3.071 -9.878 0.229 1.00 0.00 H new ATOM 0 HA PHE A 49 0.305 -10.144 1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.898 -11.177 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.522 -12.108 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.861 -8.407 -0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.007 -11.822 -2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.651 -6.940 -1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.538 -10.364 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.363 -7.916 -3.364 1.00 0.00 H new ATOM 737 N THR A 50 0.548 -12.232 2.472 1.00 0.00 N ATOM 738 CA THR A 50 0.700 -13.394 3.344 1.00 0.00 C ATOM 739 C THR A 50 -0.508 -14.312 3.194 1.00 0.00 C ATOM 740 O THR A 50 -1.545 -13.904 2.675 1.00 0.00 O ATOM 741 CB THR A 50 0.863 -12.971 4.806 1.00 0.00 C ATOM 742 OG1 THR A 50 1.368 -14.040 5.583 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.431 -12.516 5.440 1.00 0.00 C ATOM 0 H THR A 50 -0.361 -11.775 2.537 1.00 0.00 H new ATOM 0 HA THR A 50 1.602 -13.930 3.047 1.00 0.00 H new ATOM 0 HB THR A 50 1.559 -12.132 4.790 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.467 -13.750 6.514 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.248 -12.230 6.476 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.824 -11.660 4.891 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.156 -13.329 5.411 1.00 0.00 H new ATOM 751 N PHE A 51 -0.375 -15.551 3.643 1.00 0.00 N ATOM 752 CA PHE A 51 -1.458 -16.514 3.544 1.00 0.00 C ATOM 753 C PHE A 51 -2.083 -16.733 4.913 1.00 0.00 C ATOM 754 O PHE A 51 -1.569 -17.478 5.745 1.00 0.00 O ATOM 755 CB PHE A 51 -0.921 -17.802 2.919 1.00 0.00 C ATOM 756 CG PHE A 51 0.048 -17.494 1.813 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.407 -17.015 0.595 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.412 -17.626 2.010 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.482 -16.672 -0.406 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.306 -17.295 1.010 1.00 0.00 C ATOM 761 CZ PHE A 51 1.841 -16.812 -0.198 1.00 0.00 C ATOM 0 H PHE A 51 0.473 -15.912 4.080 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.251 -16.140 2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.429 -18.404 3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.748 -18.395 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.468 -16.908 0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.782 -17.992 2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.115 -16.295 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.367 -17.414 1.172 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.538 -16.544 -0.978 1.00 0.00 H new ATOM 771 N ASP A 52 -3.186 -16.025 5.136 1.00 0.00 N ATOM 772 CA ASP A 52 -3.907 -16.066 6.406 1.00 0.00 C ATOM 773 C ASP A 52 -5.307 -16.660 6.237 1.00 0.00 C ATOM 774 O ASP A 52 -6.204 -16.024 5.685 1.00 0.00 O ATOM 775 CB ASP A 52 -3.983 -14.642 6.969 1.00 0.00 C ATOM 776 CG ASP A 52 -4.958 -14.499 8.119 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.172 -14.687 7.896 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.509 -14.188 9.236 1.00 0.00 O ATOM 0 H ASP A 52 -3.606 -15.406 4.442 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.372 -16.712 7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.991 -14.339 7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.272 -13.959 6.170 1.00 0.00 H new ATOM 783 N GLU A 53 -5.471 -17.893 6.700 1.00 0.00 N ATOM 784 CA GLU A 53 -6.741 -18.605 6.594 1.00 0.00 C ATOM 785 C GLU A 53 -7.782 -18.120 7.608 1.00 0.00 C ATOM 786 O GLU A 53 -8.976 -18.313 7.407 1.00 0.00 O ATOM 787 CB GLU A 53 -6.513 -20.109 6.768 1.00 0.00 C ATOM 788 CG GLU A 53 -7.034 -20.939 5.605 1.00 0.00 C ATOM 789 CD GLU A 53 -8.167 -21.861 6.005 1.00 0.00 C ATOM 790 OE1 GLU A 53 -7.950 -22.707 6.891 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.268 -21.733 5.439 1.00 0.00 O ATOM 0 H GLU A 53 -4.732 -18.427 7.158 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.138 -18.397 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.446 -20.295 6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.999 -20.439 7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.376 -20.273 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.217 -21.532 5.193 1.00 0.00 H new ATOM 881 N LEU A 60 -10.637 -5.967 5.637 1.00 0.00 N ATOM 882 CA LEU A 60 -11.526 -6.106 4.488 1.00 0.00 C ATOM 883 C LEU A 60 -11.087 -7.286 3.635 1.00 0.00 C ATOM 884 O LEU A 60 -9.960 -7.750 3.759 1.00 0.00 O ATOM 885 CB LEU A 60 -11.563 -4.820 3.654 1.00 0.00 C ATOM 886 CG LEU A 60 -11.715 -3.517 4.451 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.427 -2.469 3.613 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.466 -3.754 5.758 1.00 0.00 C ATOM 0 HA LEU A 60 -12.536 -6.289 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.646 -4.762 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.389 -4.891 2.946 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.718 -3.153 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.529 -1.550 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.848 -2.270 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.416 -2.835 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.558 -2.813 6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.459 -4.146 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.918 -4.472 6.368 1.00 0.00 H new ATOM 900 N THR A 61 -11.983 -7.794 2.793 1.00 0.00 N ATOM 901 CA THR A 61 -11.636 -8.944 1.963 1.00 0.00 C ATOM 902 C THR A 61 -12.236 -8.856 0.563 1.00 0.00 C ATOM 903 O THR A 61 -13.286 -8.253 0.345 1.00 0.00 O ATOM 904 CB THR A 61 -12.071 -10.244 2.650 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.230 -10.790 2.033 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.386 -10.080 4.124 1.00 0.00 C ATOM 0 H THR A 61 -12.931 -7.439 2.668 1.00 0.00 H new ATOM 0 HA THR A 61 -10.552 -8.941 1.846 1.00 0.00 H new ATOM 0 HB THR A 61 -11.213 -10.908 2.545 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.412 -11.678 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.686 -11.041 4.541 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.501 -9.718 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.198 -9.363 4.245 1.00 0.00 H new ATOM 914 N ILE A 62 -11.531 -9.475 -0.381 1.00 0.00 N ATOM 915 CA ILE A 62 -11.930 -9.503 -1.776 1.00 0.00 C ATOM 916 C ILE A 62 -11.590 -10.861 -2.392 1.00 0.00 C ATOM 917 O ILE A 62 -10.471 -11.073 -2.851 1.00 0.00 O ATOM 918 CB ILE A 62 -11.214 -8.401 -2.579 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.818 -8.112 -1.999 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.064 -7.145 -2.612 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.815 -7.215 -0.774 1.00 0.00 C ATOM 0 H ILE A 62 -10.661 -9.973 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.006 -9.332 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.076 -8.751 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.343 -9.059 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.206 -7.649 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.549 -6.372 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.022 -7.366 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.233 -6.793 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.790 -7.066 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.257 -6.251 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.396 -7.683 0.021 1.00 0.00 H new ATOM 933 N GLU A 63 -12.550 -11.783 -2.393 1.00 0.00 N ATOM 934 CA GLU A 63 -12.317 -13.116 -2.944 1.00 0.00 C ATOM 935 C GLU A 63 -11.925 -13.040 -4.412 1.00 0.00 C ATOM 936 O GLU A 63 -12.272 -12.084 -5.106 1.00 0.00 O ATOM 937 CB GLU A 63 -13.564 -13.983 -2.786 1.00 0.00 C ATOM 938 CG GLU A 63 -13.290 -15.473 -2.913 1.00 0.00 C ATOM 939 CD GLU A 63 -14.558 -16.293 -2.915 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.487 -15.960 -2.160 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.622 -17.284 -3.680 1.00 0.00 O ATOM 0 H GLU A 63 -13.488 -11.634 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.494 -13.568 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.012 -13.786 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.297 -13.691 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.737 -15.661 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.654 -15.794 -2.088 1.00 0.00 H new ATOM 948 N LYS A 64 -11.187 -14.043 -4.881 1.00 0.00 N ATOM 949 CA LYS A 64 -10.745 -14.061 -6.271 1.00 0.00 C ATOM 950 C LYS A 64 -10.328 -15.451 -6.735 1.00 0.00 C ATOM 951 O LYS A 64 -10.563 -16.445 -6.050 1.00 0.00 O ATOM 952 CB LYS A 64 -9.589 -13.076 -6.450 1.00 0.00 C ATOM 953 CG LYS A 64 -9.986 -11.792 -7.165 1.00 0.00 C ATOM 954 CD LYS A 64 -10.006 -11.964 -8.678 1.00 0.00 C ATOM 955 CE LYS A 64 -8.616 -12.246 -9.226 1.00 0.00 C ATOM 956 NZ LYS A 64 -8.587 -12.204 -10.714 1.00 0.00 N ATOM 0 H LYS A 64 -10.886 -14.844 -4.326 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.591 -13.763 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.182 -12.825 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.792 -13.563 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.972 -11.477 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.287 -10.998 -6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.676 -12.782 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.405 -11.062 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.913 -11.514 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.283 -13.226 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.639 -12.468 -11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.287 -12.872 -11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.814 -11.243 -11.039 1.00 0.00 H new ATOM 970 N SER A 65 -9.716 -15.484 -7.924 1.00 0.00 N ATOM 971 CA SER A 65 -9.233 -16.704 -8.579 1.00 0.00 C ATOM 972 C SER A 65 -9.600 -18.004 -7.852 1.00 0.00 C ATOM 973 O SER A 65 -10.435 -18.769 -8.324 1.00 0.00 O ATOM 974 CB SER A 65 -7.720 -16.637 -8.773 1.00 0.00 C ATOM 975 OG SER A 65 -7.346 -17.146 -10.044 1.00 0.00 O ATOM 0 H SER A 65 -9.539 -14.641 -8.471 1.00 0.00 H new ATOM 0 HA SER A 65 -9.745 -16.738 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.383 -15.605 -8.677 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.224 -17.208 -7.988 1.00 0.00 H new ATOM 0 HG SER A 65 -6.373 -17.091 -10.145 1.00 0.00 H new ATOM 981 N GLY A 66 -8.946 -18.255 -6.722 1.00 0.00 N ATOM 982 CA GLY A 66 -9.213 -19.489 -5.996 1.00 0.00 C ATOM 983 C GLY A 66 -9.053 -19.369 -4.487 1.00 0.00 C ATOM 984 O GLY A 66 -9.002 -20.386 -3.793 1.00 0.00 O ATOM 0 H GLY A 66 -8.249 -17.641 -6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.229 -19.816 -6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.541 -20.266 -6.361 1.00 0.00 H new ATOM 988 N VAL A 67 -8.981 -18.150 -3.973 1.00 0.00 N ATOM 989 CA VAL A 67 -8.836 -17.944 -2.536 1.00 0.00 C ATOM 990 C VAL A 67 -9.617 -16.711 -2.083 1.00 0.00 C ATOM 991 O VAL A 67 -10.595 -16.316 -2.719 1.00 0.00 O ATOM 992 CB VAL A 67 -7.350 -17.804 -2.137 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.514 -18.909 -2.751 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.806 -16.436 -2.529 1.00 0.00 C ATOM 0 H VAL A 67 -9.020 -17.292 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.244 -18.822 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.287 -17.896 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.473 -18.786 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.878 -19.876 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.589 -18.861 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.758 -16.364 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.892 -16.306 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.378 -15.658 -2.023 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.170 -16.095 -0.991 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.815 -14.901 -0.467 1.00 0.00 C ATOM 1006 C GLN A 68 -8.759 -13.861 -0.087 1.00 0.00 C ATOM 1007 O GLN A 68 -7.895 -14.113 0.751 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.728 -15.279 0.710 1.00 0.00 C ATOM 1009 CG GLN A 68 -10.636 -14.386 1.934 1.00 0.00 C ATOM 1010 CD GLN A 68 -11.603 -13.227 1.890 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.291 -12.944 2.864 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.659 -12.551 0.755 1.00 0.00 N ATOM 0 H GLN A 68 -8.361 -16.407 -0.453 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.446 -14.448 -1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.760 -15.277 0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.496 -16.301 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.830 -14.981 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.620 -14.002 2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.067 -12.823 -0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.294 -11.758 0.665 1.00 0.00 H new ATOM 1021 N LEU A 69 -8.820 -12.700 -0.735 1.00 0.00 N ATOM 1022 CA LEU A 69 -7.857 -11.632 -0.486 1.00 0.00 C ATOM 1023 C LEU A 69 -8.332 -10.694 0.616 1.00 0.00 C ATOM 1024 O LEU A 69 -9.145 -9.804 0.376 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.612 -10.834 -1.768 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.285 -11.117 -2.465 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.124 -10.689 -1.590 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.174 -12.592 -2.823 1.00 0.00 C ATOM 0 H LEU A 69 -9.526 -12.476 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.927 -12.097 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.423 -11.041 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.660 -9.771 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.249 -10.538 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.185 -10.898 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.196 -9.621 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.154 -11.240 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.221 -12.775 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.231 -13.192 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.990 -12.867 -3.491 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.809 -10.884 1.820 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.175 -10.039 2.947 1.00 0.00 C ATOM 1042 C VAL A 70 -7.023 -9.096 3.297 1.00 0.00 C ATOM 1043 O VAL A 70 -5.947 -9.535 3.683 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.600 -10.884 4.180 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -9.163 -12.226 3.741 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.446 -11.093 5.155 1.00 0.00 C ATOM 0 H VAL A 70 -7.132 -11.614 2.040 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.038 -9.440 2.655 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.376 -10.324 4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.455 -12.803 4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.034 -12.065 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.404 -12.774 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.788 -11.689 6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.633 -11.614 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.091 -10.126 5.512 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.245 -7.796 3.145 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.198 -6.820 3.435 1.00 0.00 C ATOM 1058 C ILE A 71 -6.545 -5.957 4.644 1.00 0.00 C ATOM 1059 O ILE A 71 -7.710 -5.814 5.013 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.890 -5.922 2.213 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -6.899 -4.779 2.094 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.881 -6.750 0.937 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.323 -5.253 1.934 1.00 0.00 C ATOM 0 H ILE A 71 -8.128 -7.395 2.827 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.302 -7.394 3.670 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.902 -5.485 2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.831 -4.150 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.633 -4.156 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.663 -6.105 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.117 -7.524 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.857 -7.216 0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -8.986 -4.392 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.406 -5.858 1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.607 -5.852 2.800 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.512 -5.397 5.257 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.676 -4.555 6.443 1.00 0.00 C ATOM 1077 C ASP A 72 -6.096 -3.127 6.074 1.00 0.00 C ATOM 1078 O ASP A 72 -5.674 -2.592 5.049 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.371 -4.530 7.245 1.00 0.00 C ATOM 1080 CG ASP A 72 -4.452 -3.655 8.480 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.548 -2.420 8.328 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -4.418 -4.206 9.600 1.00 0.00 O ATOM 0 H ASP A 72 -4.545 -5.509 4.954 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.472 -4.984 7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.114 -5.547 7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.564 -4.172 6.605 1.00 0.00 H new ATOM 1087 N PRO A 73 -6.944 -2.497 6.913 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.436 -1.131 6.683 1.00 0.00 C ATOM 1089 C PRO A 73 -6.320 -0.145 6.344 1.00 0.00 C ATOM 1090 O PRO A 73 -6.512 0.768 5.543 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.084 -0.767 8.015 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.533 -2.070 8.573 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.494 -3.075 8.147 1.00 0.00 C ATOM 0 HA PRO A 73 -8.113 -1.083 5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.376 -0.272 8.680 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.922 -0.084 7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.612 -2.025 9.659 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.518 -2.340 8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.724 -3.204 8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.934 -4.056 7.969 1.00 0.00 H new ATOM 1101 N MET A 74 -5.154 -0.330 6.952 1.00 0.00 N ATOM 1102 CA MET A 74 -4.020 0.544 6.701 1.00 0.00 C ATOM 1103 C MET A 74 -3.730 0.589 5.201 1.00 0.00 C ATOM 1104 O MET A 74 -3.553 1.655 4.599 1.00 0.00 O ATOM 1105 CB MET A 74 -2.796 0.055 7.495 1.00 0.00 C ATOM 1106 CG MET A 74 -1.460 0.186 6.772 1.00 0.00 C ATOM 1107 SD MET A 74 -0.079 0.423 7.906 1.00 0.00 S ATOM 1108 CE MET A 74 -0.344 2.119 8.413 1.00 0.00 C ATOM 0 H MET A 74 -4.972 -1.078 7.621 1.00 0.00 H new ATOM 0 HA MET A 74 -4.253 1.555 7.034 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.742 0.614 8.429 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.948 -0.992 7.758 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.285 -0.709 6.174 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.506 1.027 6.081 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.568 2.511 8.864 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.607 2.722 7.544 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.155 2.159 9.141 1.00 0.00 H new ATOM 1118 N SER A 75 -3.712 -0.582 4.598 1.00 0.00 N ATOM 1119 CA SER A 75 -3.468 -0.685 3.175 1.00 0.00 C ATOM 1120 C SER A 75 -4.697 -0.240 2.399 1.00 0.00 C ATOM 1121 O SER A 75 -4.587 0.273 1.289 1.00 0.00 O ATOM 1122 CB SER A 75 -3.100 -2.121 2.799 1.00 0.00 C ATOM 1123 OG SER A 75 -2.410 -2.764 3.856 1.00 0.00 O ATOM 0 H SER A 75 -3.863 -1.473 5.070 1.00 0.00 H new ATOM 0 HA SER A 75 -2.633 -0.033 2.918 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.004 -2.680 2.558 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.478 -2.118 1.904 1.00 0.00 H new ATOM 0 HG SER A 75 -2.719 -3.691 3.933 1.00 0.00 H new ATOM 1129 N LEU A 76 -5.873 -0.446 2.988 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.129 -0.081 2.343 1.00 0.00 C ATOM 1131 C LEU A 76 -7.050 1.316 1.723 1.00 0.00 C ATOM 1132 O LEU A 76 -7.451 1.508 0.581 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.281 -0.207 3.347 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.390 0.835 3.247 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.606 0.353 3.993 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -8.916 2.149 3.819 1.00 0.00 C ATOM 0 H LEU A 76 -5.981 -0.864 3.912 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.321 -0.770 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.729 -1.194 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.863 -0.164 4.353 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.651 0.983 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.397 1.099 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.951 -0.585 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.351 0.196 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.714 2.888 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.645 2.013 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.046 2.496 3.261 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.513 2.281 2.468 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.370 3.646 1.956 1.00 0.00 C ATOM 1150 C GLN A 77 -5.257 3.714 0.918 1.00 0.00 C ATOM 1151 O GLN A 77 -5.244 4.605 0.070 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.046 4.661 3.060 1.00 0.00 C ATOM 1153 CG GLN A 77 -7.010 4.663 4.234 1.00 0.00 C ATOM 1154 CD GLN A 77 -6.428 4.005 5.469 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -6.823 4.316 6.592 1.00 0.00 O ATOM 1156 NE2 GLN A 77 -5.484 3.088 5.272 1.00 0.00 N ATOM 0 H GLN A 77 -6.172 2.147 3.420 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.333 3.903 1.514 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.042 4.460 3.434 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.029 5.659 2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.286 5.691 4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.925 4.145 3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.185 2.859 4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.059 2.614 6.069 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.308 2.786 1.005 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.183 2.771 0.083 1.00 0.00 C ATOM 1167 C TYR A 78 -3.526 2.064 -1.228 1.00 0.00 C ATOM 1168 O TYR A 78 -3.097 2.486 -2.302 1.00 0.00 O ATOM 1169 CB TYR A 78 -1.980 2.088 0.734 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.367 2.874 1.872 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.133 3.290 2.956 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.016 3.193 1.867 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.569 4.000 3.998 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.556 3.903 2.905 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.225 4.304 3.969 1.00 0.00 C ATOM 1176 OH TYR A 78 0.340 5.010 5.005 1.00 0.00 O ATOM 0 H TYR A 78 -4.298 2.040 1.701 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.940 3.808 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.287 1.110 1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.218 1.915 -0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.187 3.054 2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.599 2.880 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.179 4.316 4.832 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.609 4.143 2.884 1.00 0.00 H new ATOM 0 HH TYR A 78 1.295 5.140 4.830 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.276 0.974 -1.129 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.650 0.187 -2.304 1.00 0.00 C ATOM 1188 C LEU A 79 -5.970 0.634 -2.939 1.00 0.00 C ATOM 1189 O LEU A 79 -6.284 0.239 -4.057 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.638 -1.325 -2.001 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.695 -1.904 -1.039 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.071 -2.184 0.312 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -6.906 -1.002 -0.882 1.00 0.00 C ATOM 0 H LEU A 79 -4.639 0.612 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.883 0.380 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.734 -1.851 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.656 -1.572 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.051 -2.835 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.826 -2.593 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.261 -2.904 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.677 -1.258 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.615 -1.462 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.591 -0.036 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.382 -0.860 -1.852 1.00 0.00 H new ATOM 1205 N ILE A 80 -6.758 1.415 -2.203 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.080 1.870 -2.667 1.00 0.00 C ATOM 1207 C ILE A 80 -8.289 1.712 -4.179 1.00 0.00 C ATOM 1208 O ILE A 80 -7.566 2.275 -4.999 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.333 3.354 -2.308 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.448 4.272 -3.147 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.088 3.603 -0.834 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -5.974 3.987 -2.995 1.00 0.00 C ATOM 0 H ILE A 80 -6.507 1.752 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.787 1.223 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.377 3.577 -2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.724 4.170 -4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.641 5.307 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.272 4.653 -0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.760 2.980 -0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.055 3.355 -0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.404 4.676 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.684 4.117 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.768 2.962 -3.304 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.318 0.935 -4.506 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.713 0.663 -5.882 1.00 0.00 C ATOM 1226 C GLY A 81 -8.589 0.675 -6.910 1.00 0.00 C ATOM 1227 O GLY A 81 -8.808 1.070 -8.055 1.00 0.00 O ATOM 0 H GLY A 81 -9.907 0.472 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.199 -0.312 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.459 1.401 -6.178 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.401 0.227 -6.527 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.297 0.191 -7.476 1.00 0.00 C ATOM 1233 C GLY A 82 -6.280 -1.105 -8.269 1.00 0.00 C ATOM 1234 O GLY A 82 -7.330 -1.699 -8.516 1.00 0.00 O ATOM 0 H GLY A 82 -7.180 -0.109 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.378 1.035 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.354 0.303 -6.941 1.00 0.00 H new ATOM 1238 N THR A 83 -5.090 -1.554 -8.663 1.00 0.00 N ATOM 1239 CA THR A 83 -4.949 -2.796 -9.419 1.00 0.00 C ATOM 1240 C THR A 83 -3.604 -3.450 -9.115 1.00 0.00 C ATOM 1241 O THR A 83 -2.572 -2.781 -9.100 1.00 0.00 O ATOM 1242 CB THR A 83 -5.079 -2.535 -10.921 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.428 -2.279 -11.270 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.595 -3.691 -11.773 1.00 0.00 C ATOM 0 H THR A 83 -4.210 -1.076 -8.471 1.00 0.00 H new ATOM 0 HA THR A 83 -5.748 -3.472 -9.116 1.00 0.00 H new ATOM 0 HB THR A 83 -4.448 -1.669 -11.120 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.961 -2.166 -10.455 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.715 -3.441 -12.827 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.543 -3.882 -11.563 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.179 -4.582 -11.543 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.618 -4.758 -8.874 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.386 -5.483 -8.572 1.00 0.00 C ATOM 1254 C VAL A 84 -2.235 -6.723 -9.441 1.00 0.00 C ATOM 1255 O VAL A 84 -3.218 -7.293 -9.910 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.291 -5.897 -7.076 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.534 -5.499 -6.297 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.020 -7.389 -6.923 1.00 0.00 C ATOM 0 H VAL A 84 -4.460 -5.334 -8.881 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.575 -4.788 -8.791 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.445 -5.353 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.426 -5.807 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.662 -4.418 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.407 -5.987 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.960 -7.641 -5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.829 -7.955 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.077 -7.639 -7.409 1.00 0.00 H new ATOM 1268 N ASP A 85 -0.991 -7.147 -9.624 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.698 -8.338 -10.403 1.00 0.00 C ATOM 1270 C ASP A 85 0.584 -9.000 -9.916 1.00 0.00 C ATOM 1271 O ASP A 85 1.520 -8.325 -9.485 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.594 -8.003 -11.889 1.00 0.00 C ATOM 1273 CG ASP A 85 0.163 -6.713 -12.145 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.429 -5.630 -11.955 1.00 0.00 O ATOM 1275 OD2 ASP A 85 1.347 -6.787 -12.536 1.00 0.00 O ATOM 0 H ASP A 85 -0.168 -6.681 -9.241 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.521 -9.040 -10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.095 -8.822 -12.408 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.596 -7.922 -12.310 1.00 0.00 H new ATOM 1280 N TYR A 86 0.619 -10.324 -9.984 1.00 0.00 N ATOM 1281 CA TYR A 86 1.780 -11.083 -9.551 1.00 0.00 C ATOM 1282 C TYR A 86 2.357 -11.891 -10.705 1.00 0.00 C ATOM 1283 O TYR A 86 1.620 -12.425 -11.533 1.00 0.00 O ATOM 1284 CB TYR A 86 1.382 -12.013 -8.412 1.00 0.00 C ATOM 1285 CG TYR A 86 2.241 -11.887 -7.177 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.622 -11.973 -7.257 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.665 -11.690 -5.931 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.409 -11.865 -6.128 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.443 -11.582 -4.795 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.816 -11.670 -4.898 1.00 0.00 C ATOM 1291 OH TYR A 86 4.595 -11.563 -3.769 1.00 0.00 O ATOM 0 H TYR A 86 -0.149 -10.895 -10.337 1.00 0.00 H new ATOM 0 HA TYR A 86 2.545 -10.388 -9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.345 -11.813 -8.141 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.426 -13.043 -8.767 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.090 -12.127 -8.218 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.591 -11.620 -5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.484 -11.933 -6.207 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.979 -11.430 -3.832 1.00 0.00 H new ATOM 0 HH TYR A 86 4.020 -11.427 -2.987 1.00 0.00 H new ATOM 1301 N THR A 87 3.676 -11.984 -10.747 1.00 0.00 N ATOM 1302 CA THR A 87 4.352 -12.735 -11.794 1.00 0.00 C ATOM 1303 C THR A 87 5.663 -13.317 -11.284 1.00 0.00 C ATOM 1304 O THR A 87 6.713 -12.683 -11.379 1.00 0.00 O ATOM 1305 CB THR A 87 4.614 -11.844 -13.009 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.404 -11.306 -13.508 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.300 -12.571 -14.147 1.00 0.00 C ATOM 0 H THR A 87 4.301 -11.549 -10.068 1.00 0.00 H new ATOM 0 HA THR A 87 3.701 -13.557 -12.092 1.00 0.00 H new ATOM 0 HB THR A 87 5.276 -11.056 -12.652 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.594 -10.738 -14.284 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.456 -11.882 -14.977 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.262 -12.954 -13.807 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.676 -13.401 -14.477 1.00 0.00 H new ATOM 1413 N PHE A 95 6.267 -8.500 -7.440 1.00 0.00 N ATOM 1414 CA PHE A 95 4.925 -7.999 -7.170 1.00 0.00 C ATOM 1415 C PHE A 95 4.797 -6.529 -7.550 1.00 0.00 C ATOM 1416 O PHE A 95 5.645 -5.711 -7.194 1.00 0.00 O ATOM 1417 CB PHE A 95 4.582 -8.183 -5.691 1.00 0.00 C ATOM 1418 CG PHE A 95 3.115 -8.062 -5.400 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.184 -8.687 -6.214 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.665 -7.322 -4.316 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.835 -8.576 -5.954 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.315 -7.207 -4.053 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.399 -7.835 -4.874 1.00 0.00 C ATOM 0 HA PHE A 95 4.225 -8.571 -7.779 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.930 -9.163 -5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.124 -7.440 -5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.519 -9.267 -7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.379 -6.831 -3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.119 -9.069 -6.595 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.976 -6.627 -3.207 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.658 -7.746 -4.671 1.00 0.00 H new ATOM 1433 N THR A 96 3.730 -6.197 -8.273 1.00 0.00 N ATOM 1434 CA THR A 96 3.503 -4.816 -8.690 1.00 0.00 C ATOM 1435 C THR A 96 2.028 -4.439 -8.600 1.00 0.00 C ATOM 1436 O THR A 96 1.151 -5.193 -9.024 1.00 0.00 O ATOM 1437 CB THR A 96 4.006 -4.595 -10.115 1.00 0.00 C ATOM 1438 OG1 THR A 96 5.120 -5.427 -10.390 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.422 -3.165 -10.381 1.00 0.00 C ATOM 0 H THR A 96 3.016 -6.858 -8.580 1.00 0.00 H new ATOM 0 HA THR A 96 4.062 -4.175 -8.008 1.00 0.00 H new ATOM 0 HB THR A 96 3.164 -4.841 -10.763 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.426 -5.271 -11.308 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.770 -3.073 -11.410 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.570 -2.503 -10.225 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.226 -2.887 -9.700 1.00 0.00 H new ATOM 1447 N VAL A 97 1.767 -3.258 -8.047 1.00 0.00 N ATOM 1448 CA VAL A 97 0.405 -2.755 -7.896 1.00 0.00 C ATOM 1449 C VAL A 97 0.287 -1.354 -8.491 1.00 0.00 C ATOM 1450 O VAL A 97 1.295 -0.710 -8.778 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.026 -2.713 -6.414 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.536 -2.613 -6.292 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.486 -3.932 -5.660 1.00 0.00 C ATOM 0 H VAL A 97 2.487 -2.627 -7.694 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.254 -3.441 -8.429 1.00 0.00 H new ATOM 0 HB VAL A 97 0.416 -1.823 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.815 -2.585 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.881 -1.703 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.998 -3.479 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.168 -3.876 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.083 -4.837 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.575 -3.957 -5.706 1.00 0.00 H new ATOM 1463 N ASN A 98 -0.944 -0.884 -8.681 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.168 0.443 -9.251 1.00 0.00 C ATOM 1465 C ASN A 98 -2.457 1.063 -8.721 1.00 0.00 C ATOM 1466 O ASN A 98 -3.519 0.446 -8.764 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.223 0.363 -10.778 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.142 -0.533 -11.353 1.00 0.00 C ATOM 1469 OD1 ASN A 98 1.049 -0.273 -11.184 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.553 -1.591 -12.041 1.00 0.00 N ATOM 0 H ASN A 98 -1.795 -1.397 -8.451 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.334 1.078 -8.952 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.200 -0.010 -11.084 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.120 1.365 -11.195 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.129 -2.227 -12.455 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.551 -1.768 -12.156 1.00 0.00 H new