USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 493 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 30 HIS : no HE2:sc= 0.613 K(o=0.27,f=-2.8!) USER MOD Set 1.2: A 63 THR OG1 : rot -36:sc= -0.346 USER MOD Set 2.1: A 19 ASN : amide:sc= -0.224 K(o=-0.28,f=-1.3) USER MOD Set 2.2: A 21 MET CE :methyl 171:sc= -0.403 (180deg=-0.526) USER MOD Set 2.3: A 35 HIS : +bothHN:sc= 0.347 K(o=-0.28,f=-7.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 36:sc= 0.457 USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= 2.41 (180deg=2.23) USER MOD Single : A 28 ASN : amide:sc= -0.229 K(o=-0.23,f=-3.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -0.0112 (180deg=-0.114) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0.697 (180deg=0.518) USER MOD Single : A 54 THR OG1 : rot -39:sc= 0.067 USER MOD Single : A 57 MET CE :methyl -164:sc= -2.96! (180deg=-3.45!) USER MOD Single : A 58 SER OG : rot 96:sc= 1.32 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00322 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 6 8.009 -9.019 5.562 1.00 0.00 N ATOM 82 CA VAL A 6 7.031 -8.012 5.506 1.00 0.00 C ATOM 83 C VAL A 6 6.436 -8.356 4.173 1.00 0.00 C ATOM 84 O VAL A 6 7.189 -8.814 3.304 1.00 0.00 O ATOM 85 CB VAL A 6 7.684 -6.591 5.438 1.00 0.00 C ATOM 86 CG1 VAL A 6 6.642 -5.503 5.262 1.00 0.00 C ATOM 87 CG2 VAL A 6 8.529 -6.292 6.674 1.00 0.00 C ATOM 0 HA VAL A 6 6.349 -7.975 6.355 1.00 0.00 H new ATOM 0 HB VAL A 6 8.336 -6.597 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.134 -4.531 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.092 -5.672 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.950 -5.522 6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.964 -5.296 6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.901 -6.336 7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.327 -7.030 6.756 1.00 0.00 H new ATOM 97 N ILE A 7 5.176 -8.207 3.974 1.00 0.00 N ATOM 98 CA ILE A 7 4.619 -8.689 2.735 1.00 0.00 C ATOM 99 C ILE A 7 4.352 -7.531 1.815 1.00 0.00 C ATOM 100 O ILE A 7 3.711 -6.554 2.201 1.00 0.00 O ATOM 101 CB ILE A 7 3.325 -9.532 2.957 1.00 0.00 C ATOM 102 CG1 ILE A 7 3.599 -10.655 3.975 1.00 0.00 C ATOM 103 CG2 ILE A 7 2.861 -10.144 1.630 1.00 0.00 C ATOM 104 CD1 ILE A 7 2.397 -11.530 4.284 1.00 0.00 C ATOM 0 H ILE A 7 4.518 -7.772 4.621 1.00 0.00 H new ATOM 0 HA ILE A 7 5.350 -9.354 2.276 1.00 0.00 H new ATOM 0 HB ILE A 7 2.542 -8.879 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.403 -11.285 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.956 -10.208 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.957 -10.730 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.651 -9.348 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.645 -10.790 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.679 -12.293 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.597 -10.916 4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.051 -12.010 3.368 1.00 0.00 H new ATOM 116 N GLU A 8 4.863 -7.629 0.626 1.00 0.00 N ATOM 117 CA GLU A 8 4.737 -6.595 -0.348 1.00 0.00 C ATOM 118 C GLU A 8 3.659 -6.919 -1.381 1.00 0.00 C ATOM 119 O GLU A 8 3.673 -7.966 -2.027 1.00 0.00 O ATOM 120 CB GLU A 8 6.100 -6.263 -1.014 1.00 0.00 C ATOM 121 CG GLU A 8 6.945 -7.466 -1.494 1.00 0.00 C ATOM 122 CD GLU A 8 7.635 -8.227 -0.360 1.00 0.00 C ATOM 123 OE1 GLU A 8 8.676 -7.764 0.127 1.00 0.00 O ATOM 124 OE2 GLU A 8 7.154 -9.320 0.053 1.00 0.00 O ATOM 0 H GLU A 8 5.387 -8.443 0.303 1.00 0.00 H new ATOM 0 HA GLU A 8 4.413 -5.696 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.912 -5.615 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.696 -5.689 -0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.302 -8.154 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.701 -7.111 -2.194 1.00 0.00 H new ATOM 131 N LEU A 9 2.713 -6.018 -1.485 1.00 0.00 N ATOM 132 CA LEU A 9 1.583 -6.125 -2.395 1.00 0.00 C ATOM 133 C LEU A 9 1.544 -4.871 -3.239 1.00 0.00 C ATOM 134 O LEU A 9 2.171 -3.876 -2.888 1.00 0.00 O ATOM 135 CB LEU A 9 0.221 -6.253 -1.645 1.00 0.00 C ATOM 136 CG LEU A 9 -0.059 -7.512 -0.790 1.00 0.00 C ATOM 137 CD1 LEU A 9 0.171 -8.795 -1.569 1.00 0.00 C ATOM 138 CD2 LEU A 9 0.706 -7.505 0.518 1.00 0.00 C ATOM 0 H LEU A 9 2.701 -5.164 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 9 1.717 -7.025 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.124 -5.386 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.571 -6.181 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.118 -7.478 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.038 -9.652 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.491 -8.819 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.207 -8.836 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.474 -8.410 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.776 -7.469 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.419 -6.631 1.103 1.00 0.00 H new ATOM 150 N GLU A 10 0.865 -4.908 -4.344 1.00 0.00 N ATOM 151 CA GLU A 10 0.722 -3.721 -5.141 1.00 0.00 C ATOM 152 C GLU A 10 -0.715 -3.310 -5.229 1.00 0.00 C ATOM 153 O GLU A 10 -1.609 -4.148 -5.258 1.00 0.00 O ATOM 154 CB GLU A 10 1.293 -3.859 -6.532 1.00 0.00 C ATOM 155 CG GLU A 10 2.784 -4.044 -6.584 1.00 0.00 C ATOM 156 CD GLU A 10 3.287 -3.725 -7.942 1.00 0.00 C ATOM 157 OE1 GLU A 10 3.606 -2.540 -8.190 1.00 0.00 O ATOM 158 OE2 GLU A 10 3.286 -4.603 -8.819 1.00 0.00 O ATOM 0 H GLU A 10 0.403 -5.738 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 10 1.300 -2.950 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.818 -4.709 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.030 -2.971 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.265 -3.399 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.041 -5.071 -6.324 1.00 0.00 H new ATOM 165 N GLY A 11 -0.931 -2.033 -5.276 1.00 0.00 N ATOM 166 CA GLY A 11 -2.255 -1.519 -5.367 1.00 0.00 C ATOM 167 C GLY A 11 -2.266 -0.230 -6.119 1.00 0.00 C ATOM 168 O GLY A 11 -1.209 0.262 -6.541 1.00 0.00 O ATOM 0 H GLY A 11 -0.198 -1.324 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.899 -2.243 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.662 -1.367 -4.367 1.00 0.00 H new ATOM 172 N THR A 12 -3.422 0.315 -6.293 1.00 0.00 N ATOM 173 CA THR A 12 -3.583 1.557 -6.983 1.00 0.00 C ATOM 174 C THR A 12 -4.149 2.578 -6.003 1.00 0.00 C ATOM 175 O THR A 12 -5.051 2.270 -5.251 1.00 0.00 O ATOM 176 CB THR A 12 -4.541 1.353 -8.170 1.00 0.00 C ATOM 177 OG1 THR A 12 -4.057 0.245 -8.945 1.00 0.00 O ATOM 178 CG2 THR A 12 -4.603 2.594 -9.054 1.00 0.00 C ATOM 0 H THR A 12 -4.295 -0.092 -5.957 1.00 0.00 H new ATOM 0 HA THR A 12 -2.628 1.916 -7.367 1.00 0.00 H new ATOM 0 HB THR A 12 -5.545 1.162 -7.790 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.653 0.094 -9.708 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.288 2.416 -9.883 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.956 3.442 -8.467 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.609 2.812 -9.445 1.00 0.00 H new ATOM 186 N VAL A 13 -3.586 3.746 -5.967 1.00 0.00 N ATOM 187 CA VAL A 13 -4.062 4.782 -5.062 1.00 0.00 C ATOM 188 C VAL A 13 -5.160 5.602 -5.688 1.00 0.00 C ATOM 189 O VAL A 13 -5.044 6.032 -6.815 1.00 0.00 O ATOM 190 CB VAL A 13 -2.908 5.663 -4.491 1.00 0.00 C ATOM 191 CG1 VAL A 13 -1.881 5.938 -5.532 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.422 6.971 -3.885 1.00 0.00 C ATOM 0 H VAL A 13 -2.794 4.020 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.495 4.273 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.445 5.092 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.088 6.554 -5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.460 4.997 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.342 6.465 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.581 7.549 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.940 7.548 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.111 6.748 -3.070 1.00 0.00 H new ATOM 202 N LEU A 14 -6.239 5.759 -4.967 1.00 0.00 N ATOM 203 CA LEU A 14 -7.381 6.509 -5.455 1.00 0.00 C ATOM 204 C LEU A 14 -7.496 7.873 -4.804 1.00 0.00 C ATOM 205 O LEU A 14 -7.830 8.848 -5.464 1.00 0.00 O ATOM 206 CB LEU A 14 -8.712 5.735 -5.299 1.00 0.00 C ATOM 207 CG LEU A 14 -8.985 4.558 -6.266 1.00 0.00 C ATOM 208 CD1 LEU A 14 -8.030 3.398 -6.059 1.00 0.00 C ATOM 209 CD2 LEU A 14 -10.426 4.091 -6.141 1.00 0.00 C ATOM 0 H LEU A 14 -6.357 5.375 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.198 6.653 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.756 5.348 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.528 6.450 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.815 4.931 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.267 2.601 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.007 3.735 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.129 3.023 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.601 3.263 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.614 3.761 -5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.098 4.914 -6.386 1.00 0.00 H new ATOM 221 N ASP A 15 -7.150 7.960 -3.533 1.00 0.00 N ATOM 222 CA ASP A 15 -7.417 9.183 -2.782 1.00 0.00 C ATOM 223 C ASP A 15 -6.173 9.683 -2.094 1.00 0.00 C ATOM 224 O ASP A 15 -5.254 8.903 -1.774 1.00 0.00 O ATOM 225 CB ASP A 15 -8.484 8.946 -1.697 1.00 0.00 C ATOM 226 CG ASP A 15 -9.809 8.392 -2.208 1.00 0.00 C ATOM 227 OD1 ASP A 15 -9.909 7.149 -2.383 1.00 0.00 O ATOM 228 OD2 ASP A 15 -10.749 9.176 -2.399 1.00 0.00 O ATOM 0 H ASP A 15 -6.693 7.218 -3.003 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.769 9.920 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.080 8.256 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.675 9.889 -1.184 1.00 0.00 H new ATOM 233 N THR A 16 -6.165 10.962 -1.823 1.00 0.00 N ATOM 234 CA THR A 16 -5.092 11.626 -1.136 1.00 0.00 C ATOM 235 C THR A 16 -5.494 11.806 0.319 1.00 0.00 C ATOM 236 O THR A 16 -6.521 12.430 0.606 1.00 0.00 O ATOM 237 CB THR A 16 -4.870 13.014 -1.767 1.00 0.00 C ATOM 238 OG1 THR A 16 -6.142 13.674 -1.907 1.00 0.00 O ATOM 239 CG2 THR A 16 -4.212 12.904 -3.126 1.00 0.00 C ATOM 0 H THR A 16 -6.928 11.587 -2.082 1.00 0.00 H new ATOM 0 HA THR A 16 -4.177 11.038 -1.209 1.00 0.00 H new ATOM 0 HB THR A 16 -4.210 13.587 -1.116 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.715 13.445 -1.146 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.070 13.901 -3.543 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.245 12.412 -3.023 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.847 12.319 -3.792 1.00 0.00 H new ATOM 247 N LEU A 17 -4.722 11.269 1.227 1.00 0.00 N ATOM 248 CA LEU A 17 -5.088 11.327 2.614 1.00 0.00 C ATOM 249 C LEU A 17 -4.164 12.275 3.402 1.00 0.00 C ATOM 250 O LEU A 17 -3.000 12.501 3.027 1.00 0.00 O ATOM 251 CB LEU A 17 -5.096 9.919 3.250 1.00 0.00 C ATOM 252 CG LEU A 17 -6.031 8.854 2.640 1.00 0.00 C ATOM 253 CD1 LEU A 17 -6.023 7.617 3.506 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.450 9.382 2.473 1.00 0.00 C ATOM 0 H LEU A 17 -3.843 10.790 1.032 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.100 11.728 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.078 9.530 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.357 10.029 4.302 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.661 8.602 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.684 6.866 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.010 7.219 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.369 7.872 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.079 8.604 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.847 9.671 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.440 10.249 1.813 1.00 0.00 H new ATOM 266 N PRO A 18 -4.692 12.895 4.467 1.00 0.00 N ATOM 267 CA PRO A 18 -3.915 13.749 5.364 1.00 0.00 C ATOM 268 C PRO A 18 -2.749 12.991 6.035 1.00 0.00 C ATOM 269 O PRO A 18 -2.775 11.763 6.141 1.00 0.00 O ATOM 270 CB PRO A 18 -4.935 14.205 6.422 1.00 0.00 C ATOM 271 CG PRO A 18 -6.060 13.237 6.316 1.00 0.00 C ATOM 272 CD PRO A 18 -6.111 12.834 4.877 1.00 0.00 C ATOM 0 HA PRO A 18 -3.450 14.574 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.499 14.195 7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.272 15.224 6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.895 12.373 6.959 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.000 13.692 6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.525 11.833 4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.731 13.511 4.289 1.00 0.00 H new ATOM 280 N ASN A 19 -1.704 13.743 6.412 1.00 0.00 N ATOM 281 CA ASN A 19 -0.516 13.210 7.143 1.00 0.00 C ATOM 282 C ASN A 19 0.397 12.391 6.218 1.00 0.00 C ATOM 283 O ASN A 19 1.225 11.629 6.668 1.00 0.00 O ATOM 284 CB ASN A 19 -0.958 12.392 8.418 1.00 0.00 C ATOM 285 CG ASN A 19 0.188 11.971 9.360 1.00 0.00 C ATOM 286 OD1 ASN A 19 0.775 10.895 9.218 1.00 0.00 O ATOM 287 ND2 ASN A 19 0.493 12.800 10.333 1.00 0.00 N ATOM 0 H ASN A 19 -1.647 14.744 6.223 1.00 0.00 H new ATOM 0 HA ASN A 19 0.073 14.059 7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.671 12.991 8.985 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.485 11.496 8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.232 12.560 10.994 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.009 13.683 10.427 1.00 0.00 H new ATOM 294 N ALA A 20 0.276 12.634 4.911 1.00 0.00 N ATOM 295 CA ALA A 20 1.094 11.947 3.875 1.00 0.00 C ATOM 296 C ALA A 20 0.709 10.476 3.776 1.00 0.00 C ATOM 297 O ALA A 20 1.530 9.606 3.417 1.00 0.00 O ATOM 298 CB ALA A 20 2.597 12.108 4.151 1.00 0.00 C ATOM 0 H ALA A 20 -0.386 13.309 4.528 1.00 0.00 H new ATOM 0 HA ALA A 20 0.886 12.419 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.166 11.595 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.856 13.167 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.837 11.677 5.123 1.00 0.00 H new ATOM 304 N MET A 21 -0.533 10.207 4.097 1.00 0.00 N ATOM 305 CA MET A 21 -1.093 8.893 3.962 1.00 0.00 C ATOM 306 C MET A 21 -1.827 8.917 2.636 1.00 0.00 C ATOM 307 O MET A 21 -2.125 9.987 2.115 1.00 0.00 O ATOM 308 CB MET A 21 -2.113 8.625 5.073 1.00 0.00 C ATOM 309 CG MET A 21 -2.441 7.157 5.336 1.00 0.00 C ATOM 310 SD MET A 21 -1.154 6.281 6.259 1.00 0.00 S ATOM 311 CE MET A 21 -1.310 7.071 7.865 1.00 0.00 C ATOM 0 H MET A 21 -1.185 10.902 4.462 1.00 0.00 H new ATOM 0 HA MET A 21 -0.322 8.125 4.018 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.739 9.065 5.997 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.038 9.145 4.824 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.378 7.096 5.889 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.600 6.653 4.383 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.699 6.538 8.594 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.973 8.105 7.796 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.353 7.050 8.181 1.00 0.00 H new ATOM 321 N PHE A 22 -2.100 7.803 2.101 1.00 0.00 N ATOM 322 CA PHE A 22 -2.821 7.701 0.854 1.00 0.00 C ATOM 323 C PHE A 22 -3.706 6.503 0.899 1.00 0.00 C ATOM 324 O PHE A 22 -3.390 5.516 1.594 1.00 0.00 O ATOM 325 CB PHE A 22 -1.870 7.602 -0.364 1.00 0.00 C ATOM 326 CG PHE A 22 -1.144 8.880 -0.702 1.00 0.00 C ATOM 327 CD1 PHE A 22 0.073 9.181 -0.122 1.00 0.00 C ATOM 328 CD2 PHE A 22 -1.689 9.783 -1.598 1.00 0.00 C ATOM 329 CE1 PHE A 22 0.732 10.356 -0.423 1.00 0.00 C ATOM 330 CE2 PHE A 22 -1.032 10.957 -1.904 1.00 0.00 C ATOM 331 CZ PHE A 22 0.180 11.244 -1.315 1.00 0.00 C ATOM 0 H PHE A 22 -1.836 6.904 2.504 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.412 8.608 0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.134 6.822 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.447 7.287 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.515 8.487 0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.639 9.566 -2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.681 10.577 0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.468 11.652 -2.606 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.694 12.163 -1.553 1.00 0.00 H new ATOM 341 N LYS A 23 -4.824 6.574 0.215 1.00 0.00 N ATOM 342 CA LYS A 23 -5.670 5.435 0.127 1.00 0.00 C ATOM 343 C LYS A 23 -5.247 4.635 -1.053 1.00 0.00 C ATOM 344 O LYS A 23 -5.389 5.069 -2.207 1.00 0.00 O ATOM 345 CB LYS A 23 -7.172 5.747 0.010 1.00 0.00 C ATOM 346 CG LYS A 23 -7.948 4.473 -0.329 1.00 0.00 C ATOM 347 CD LYS A 23 -9.424 4.656 -0.573 1.00 0.00 C ATOM 348 CE LYS A 23 -9.893 3.482 -1.414 1.00 0.00 C ATOM 349 NZ LYS A 23 -11.348 3.362 -1.548 1.00 0.00 N ATOM 0 H LYS A 23 -5.155 7.403 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.558 4.893 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.538 6.167 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.336 6.499 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.504 4.024 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.818 3.762 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.968 4.694 0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.614 5.598 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.457 3.569 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.506 2.562 -0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.573 2.633 -2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.760 3.094 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.745 4.274 -1.852 1.00 0.00 H new ATOM 363 N VAL A 24 -4.750 3.497 -0.788 1.00 0.00 N ATOM 364 CA VAL A 24 -4.342 2.616 -1.836 1.00 0.00 C ATOM 365 C VAL A 24 -5.318 1.462 -1.829 1.00 0.00 C ATOM 366 O VAL A 24 -5.726 1.005 -0.781 1.00 0.00 O ATOM 367 CB VAL A 24 -2.866 2.126 -1.660 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.431 1.228 -2.801 1.00 0.00 C ATOM 369 CG2 VAL A 24 -1.902 3.296 -1.517 1.00 0.00 C ATOM 0 H VAL A 24 -4.608 3.135 0.155 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.355 3.134 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.839 1.543 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.401 0.910 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.079 0.353 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.500 1.775 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.887 2.918 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.953 3.921 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.175 3.888 -0.643 1.00 0.00 H new ATOM 379 N GLU A 25 -5.761 1.068 -2.962 1.00 0.00 N ATOM 380 CA GLU A 25 -6.727 0.034 -3.048 1.00 0.00 C ATOM 381 C GLU A 25 -6.103 -1.142 -3.777 1.00 0.00 C ATOM 382 O GLU A 25 -5.583 -0.999 -4.896 1.00 0.00 O ATOM 383 CB GLU A 25 -7.982 0.587 -3.735 1.00 0.00 C ATOM 384 CG GLU A 25 -9.242 -0.247 -3.593 1.00 0.00 C ATOM 385 CD GLU A 25 -10.468 0.515 -4.078 1.00 0.00 C ATOM 386 OE1 GLU A 25 -10.993 1.372 -3.302 1.00 0.00 O ATOM 387 OE2 GLU A 25 -10.891 0.303 -5.213 1.00 0.00 O ATOM 0 H GLU A 25 -5.466 1.452 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.038 -0.323 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.182 1.581 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.767 0.707 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.136 -1.170 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.377 -0.531 -2.549 1.00 0.00 H new ATOM 394 N LEU A 26 -6.036 -2.255 -3.082 1.00 0.00 N ATOM 395 CA LEU A 26 -5.475 -3.486 -3.617 1.00 0.00 C ATOM 396 C LEU A 26 -6.387 -4.117 -4.663 1.00 0.00 C ATOM 397 O LEU A 26 -7.574 -3.798 -4.750 1.00 0.00 O ATOM 398 CB LEU A 26 -5.232 -4.503 -2.492 1.00 0.00 C ATOM 399 CG LEU A 26 -4.180 -4.147 -1.445 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.131 -5.219 -0.367 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.812 -3.997 -2.096 1.00 0.00 C ATOM 0 H LEU A 26 -6.370 -2.337 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.530 -3.223 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.178 -4.670 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.947 -5.451 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.453 -3.197 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.377 -4.955 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.105 -5.294 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.876 -6.178 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.073 -3.743 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.532 -4.935 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.850 -3.205 -2.844 1.00 0.00 H new ATOM 413 N GLU A 27 -5.831 -5.068 -5.380 1.00 0.00 N ATOM 414 CA GLU A 27 -6.519 -5.829 -6.423 1.00 0.00 C ATOM 415 C GLU A 27 -7.625 -6.710 -5.833 1.00 0.00 C ATOM 416 O GLU A 27 -8.586 -7.077 -6.509 1.00 0.00 O ATOM 417 CB GLU A 27 -5.495 -6.667 -7.239 1.00 0.00 C ATOM 418 CG GLU A 27 -4.257 -7.181 -6.453 1.00 0.00 C ATOM 419 CD GLU A 27 -4.585 -7.951 -5.184 1.00 0.00 C ATOM 420 OE1 GLU A 27 -4.740 -7.292 -4.119 1.00 0.00 O ATOM 421 OE2 GLU A 27 -4.708 -9.175 -5.242 1.00 0.00 O ATOM 0 H GLU A 27 -4.858 -5.349 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.001 -5.126 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.014 -7.527 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.144 -6.062 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.668 -7.822 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.629 -6.329 -6.193 1.00 0.00 H new ATOM 428 N ASN A 28 -7.473 -7.003 -4.564 1.00 0.00 N ATOM 429 CA ASN A 28 -8.419 -7.779 -3.778 1.00 0.00 C ATOM 430 C ASN A 28 -9.684 -6.957 -3.462 1.00 0.00 C ATOM 431 O ASN A 28 -10.673 -7.481 -2.962 1.00 0.00 O ATOM 432 CB ASN A 28 -7.693 -8.219 -2.476 1.00 0.00 C ATOM 433 CG ASN A 28 -8.553 -8.959 -1.460 1.00 0.00 C ATOM 434 OD1 ASN A 28 -9.118 -8.355 -0.536 1.00 0.00 O ATOM 435 ND2 ASN A 28 -8.641 -10.259 -1.600 1.00 0.00 N ATOM 0 H ASN A 28 -6.661 -6.700 -4.026 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.750 -8.653 -4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.853 -8.858 -2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.277 -7.333 -1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.188 -10.808 -0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.163 -10.722 -2.373 1.00 0.00 H new ATOM 442 N GLY A 29 -9.658 -5.672 -3.801 1.00 0.00 N ATOM 443 CA GLY A 29 -10.795 -4.808 -3.529 1.00 0.00 C ATOM 444 C GLY A 29 -10.748 -4.298 -2.116 1.00 0.00 C ATOM 445 O GLY A 29 -11.701 -3.732 -1.597 1.00 0.00 O ATOM 0 H GLY A 29 -8.871 -5.213 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.795 -3.968 -4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.723 -5.357 -3.692 1.00 0.00 H new ATOM 449 N HIS A 30 -9.638 -4.538 -1.479 1.00 0.00 N ATOM 450 CA HIS A 30 -9.428 -4.107 -0.141 1.00 0.00 C ATOM 451 C HIS A 30 -8.719 -2.793 -0.215 1.00 0.00 C ATOM 452 O HIS A 30 -7.704 -2.675 -0.898 1.00 0.00 O ATOM 453 CB HIS A 30 -8.493 -5.059 0.564 1.00 0.00 C ATOM 454 CG HIS A 30 -8.544 -5.057 2.076 1.00 0.00 C ATOM 455 ND1 HIS A 30 -8.185 -3.979 2.870 1.00 0.00 N ATOM 456 CD2 HIS A 30 -8.889 -6.042 2.940 1.00 0.00 C ATOM 457 CE1 HIS A 30 -8.299 -4.305 4.136 1.00 0.00 C ATOM 458 NE2 HIS A 30 -8.724 -5.548 4.213 1.00 0.00 N ATOM 0 H HIS A 30 -8.850 -5.044 -1.884 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.380 -4.052 0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.709 -6.069 0.216 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.473 -4.827 0.256 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -7.879 -3.070 2.523 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.231 -7.032 2.678 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.080 -3.661 4.975 1.00 0.00 H new ATOM 467 N GLU A 31 -9.178 -1.859 0.503 1.00 0.00 N ATOM 468 CA GLU A 31 -8.519 -0.611 0.554 1.00 0.00 C ATOM 469 C GLU A 31 -7.640 -0.620 1.751 1.00 0.00 C ATOM 470 O GLU A 31 -7.950 -1.268 2.763 1.00 0.00 O ATOM 471 CB GLU A 31 -9.471 0.576 0.535 1.00 0.00 C ATOM 472 CG GLU A 31 -10.511 0.631 1.636 1.00 0.00 C ATOM 473 CD GLU A 31 -11.283 1.936 1.580 1.00 0.00 C ATOM 474 OE1 GLU A 31 -12.107 2.115 0.651 1.00 0.00 O ATOM 475 OE2 GLU A 31 -11.018 2.810 2.400 1.00 0.00 O ATOM 0 H GLU A 31 -10.020 -1.927 1.075 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.923 -0.480 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.878 1.489 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.990 0.581 -0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.199 -0.209 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.026 0.531 2.607 1.00 0.00 H new ATOM 482 N ILE A 32 -6.520 -0.042 1.605 1.00 0.00 N ATOM 483 CA ILE A 32 -5.506 -0.060 2.597 1.00 0.00 C ATOM 484 C ILE A 32 -4.968 1.344 2.774 1.00 0.00 C ATOM 485 O ILE A 32 -5.028 2.163 1.840 1.00 0.00 O ATOM 486 CB ILE A 32 -4.362 -1.034 2.173 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.842 -0.663 0.787 1.00 0.00 C ATOM 488 CG2 ILE A 32 -4.880 -2.472 2.150 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.597 -1.388 0.375 1.00 0.00 C ATOM 0 H ILE A 32 -6.264 0.478 0.766 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.920 -0.410 3.543 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.551 -0.952 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.623 -0.864 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.648 0.409 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.075 -3.144 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.234 -2.747 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.701 -2.552 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.299 -1.063 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.797 -1.168 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.787 -2.461 0.365 1.00 0.00 H new ATOM 501 N LEU A 33 -4.453 1.643 3.931 1.00 0.00 N ATOM 502 CA LEU A 33 -3.961 2.956 4.170 1.00 0.00 C ATOM 503 C LEU A 33 -2.488 2.851 4.180 1.00 0.00 C ATOM 504 O LEU A 33 -1.921 2.067 4.941 1.00 0.00 O ATOM 505 CB LEU A 33 -4.490 3.450 5.511 1.00 0.00 C ATOM 506 CG LEU A 33 -6.016 3.419 5.647 1.00 0.00 C ATOM 507 CD1 LEU A 33 -6.443 3.785 7.055 1.00 0.00 C ATOM 508 CD2 LEU A 33 -6.673 4.351 4.642 1.00 0.00 C ATOM 0 H LEU A 33 -4.366 0.996 4.715 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.284 3.666 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.056 2.842 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.145 4.472 5.668 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.344 2.401 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.530 3.755 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.015 3.074 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.091 4.789 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.756 4.309 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.328 5.371 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.407 4.042 3.631 1.00 0.00 H new ATOM 520 N ALA A 34 -1.861 3.603 3.366 1.00 0.00 N ATOM 521 CA ALA A 34 -0.458 3.494 3.237 1.00 0.00 C ATOM 522 C ALA A 34 0.174 4.838 3.344 1.00 0.00 C ATOM 523 O ALA A 34 -0.386 5.826 2.900 1.00 0.00 O ATOM 524 CB ALA A 34 -0.114 2.803 1.936 1.00 0.00 C ATOM 0 H ALA A 34 -2.297 4.308 2.772 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.061 2.885 4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.969 2.722 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.555 1.806 1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.508 3.382 1.101 1.00 0.00 H new ATOM 530 N HIS A 35 1.317 4.885 3.949 1.00 0.00 N ATOM 531 CA HIS A 35 1.994 6.134 4.175 1.00 0.00 C ATOM 532 C HIS A 35 3.197 6.189 3.265 1.00 0.00 C ATOM 533 O HIS A 35 3.850 5.177 3.046 1.00 0.00 O ATOM 534 CB HIS A 35 2.460 6.194 5.635 1.00 0.00 C ATOM 535 CG HIS A 35 2.728 7.575 6.173 1.00 0.00 C ATOM 536 ND1 HIS A 35 3.839 8.337 5.863 1.00 0.00 N ATOM 537 CD2 HIS A 35 2.012 8.311 7.047 1.00 0.00 C ATOM 538 CE1 HIS A 35 3.781 9.470 6.535 1.00 0.00 C ATOM 539 NE2 HIS A 35 2.685 9.474 7.255 1.00 0.00 N ATOM 0 H HIS A 35 1.811 4.065 4.302 1.00 0.00 H new ATOM 0 HA HIS A 35 1.328 6.972 3.972 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.703 5.720 6.260 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.370 5.602 5.733 1.00 0.00 H new ATOM 0 HD1 HIS A 35 4.583 8.067 5.219 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.073 8.028 7.500 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.514 10.262 6.499 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.385 10.229 7.872 1.00 0.00 H new ATOM 548 N VAL A 36 3.481 7.331 2.731 1.00 0.00 N ATOM 549 CA VAL A 36 4.660 7.495 1.904 1.00 0.00 C ATOM 550 C VAL A 36 5.883 7.744 2.762 1.00 0.00 C ATOM 551 O VAL A 36 5.767 8.263 3.893 1.00 0.00 O ATOM 552 CB VAL A 36 4.523 8.595 0.823 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.463 8.212 -0.180 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.223 9.959 1.434 1.00 0.00 C ATOM 0 H VAL A 36 2.919 8.175 2.845 1.00 0.00 H new ATOM 0 HA VAL A 36 4.776 6.556 1.363 1.00 0.00 H new ATOM 0 HB VAL A 36 5.481 8.677 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.377 8.994 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.739 7.273 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.507 8.092 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.135 10.701 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.287 9.910 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.032 10.242 2.107 1.00 0.00 H new ATOM 564 N SER A 37 7.025 7.279 2.294 1.00 0.00 N ATOM 565 CA SER A 37 8.277 7.471 2.991 1.00 0.00 C ATOM 566 C SER A 37 8.614 8.967 3.022 1.00 0.00 C ATOM 567 O SER A 37 8.080 9.756 2.217 1.00 0.00 O ATOM 568 CB SER A 37 9.415 6.709 2.283 1.00 0.00 C ATOM 569 OG SER A 37 9.719 7.301 1.027 1.00 0.00 O ATOM 0 H SER A 37 7.109 6.758 1.421 1.00 0.00 H new ATOM 0 HA SER A 37 8.176 7.087 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.304 6.708 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.126 5.668 2.138 1.00 0.00 H new ATOM 0 HG SER A 37 10.445 6.802 0.597 1.00 0.00 H new ATOM 575 N GLY A 38 9.486 9.358 3.938 1.00 0.00 N ATOM 576 CA GLY A 38 9.905 10.744 4.029 1.00 0.00 C ATOM 577 C GLY A 38 10.580 11.237 2.751 1.00 0.00 C ATOM 578 O GLY A 38 10.597 12.437 2.477 1.00 0.00 O ATOM 0 H GLY A 38 9.914 8.737 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.038 11.369 4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.593 10.858 4.866 1.00 0.00 H new ATOM 582 N LYS A 39 11.063 10.299 1.927 1.00 0.00 N ATOM 583 CA LYS A 39 11.763 10.651 0.715 1.00 0.00 C ATOM 584 C LYS A 39 10.754 11.067 -0.348 1.00 0.00 C ATOM 585 O LYS A 39 11.042 11.880 -1.211 1.00 0.00 O ATOM 586 CB LYS A 39 12.615 9.463 0.232 1.00 0.00 C ATOM 587 CG LYS A 39 13.478 9.753 -0.993 1.00 0.00 C ATOM 588 CD LYS A 39 14.303 8.537 -1.390 1.00 0.00 C ATOM 589 CE LYS A 39 15.183 8.825 -2.604 1.00 0.00 C ATOM 590 NZ LYS A 39 14.382 9.150 -3.818 1.00 0.00 N ATOM 0 H LYS A 39 10.975 9.296 2.089 1.00 0.00 H new ATOM 0 HA LYS A 39 12.433 11.489 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.263 9.142 1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.953 8.628 0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.842 10.051 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.141 10.592 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.928 8.232 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.638 7.702 -1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.850 9.657 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.812 7.959 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.003 9.155 -4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.637 8.435 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.946 10.088 -3.706 1.00 0.00 H new ATOM 604 N ILE A 40 9.575 10.511 -0.256 1.00 0.00 N ATOM 605 CA ILE A 40 8.504 10.807 -1.179 1.00 0.00 C ATOM 606 C ILE A 40 7.702 12.011 -0.675 1.00 0.00 C ATOM 607 O ILE A 40 7.139 12.776 -1.454 1.00 0.00 O ATOM 608 CB ILE A 40 7.598 9.556 -1.366 1.00 0.00 C ATOM 609 CG1 ILE A 40 8.421 8.416 -1.987 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.379 9.864 -2.226 1.00 0.00 C ATOM 611 CD1 ILE A 40 7.682 7.103 -2.106 1.00 0.00 C ATOM 0 H ILE A 40 9.326 9.835 0.466 1.00 0.00 H new ATOM 0 HA ILE A 40 8.922 11.063 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 40 7.231 9.250 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.753 8.723 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.316 8.261 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.772 8.965 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.787 10.647 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.704 10.201 -3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.337 6.356 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.374 6.768 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.801 7.237 -2.734 1.00 0.00 H new ATOM 623 N ARG A 41 7.672 12.179 0.635 1.00 0.00 N ATOM 624 CA ARG A 41 6.996 13.311 1.225 1.00 0.00 C ATOM 625 C ARG A 41 7.736 14.620 0.906 1.00 0.00 C ATOM 626 O ARG A 41 7.109 15.601 0.457 1.00 0.00 O ATOM 627 CB ARG A 41 6.913 13.130 2.757 1.00 0.00 C ATOM 628 CG ARG A 41 6.362 14.336 3.560 1.00 0.00 C ATOM 629 CD ARG A 41 4.911 14.701 3.207 1.00 0.00 C ATOM 630 NE ARG A 41 4.761 15.279 1.860 1.00 0.00 N ATOM 631 CZ ARG A 41 3.612 15.431 1.196 1.00 0.00 C ATOM 632 NH1 ARG A 41 2.451 15.080 1.762 1.00 0.00 N ATOM 633 NH2 ARG A 41 3.628 15.945 -0.034 1.00 0.00 N ATOM 0 H ARG A 41 8.108 11.546 1.305 1.00 0.00 H new ATOM 0 HA ARG A 41 5.992 13.366 0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.285 12.264 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.911 12.898 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.422 14.110 4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.999 15.202 3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.292 13.807 3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.534 15.412 3.943 1.00 0.00 H new ATOM 0 HE ARG A 41 5.612 15.591 1.392 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.440 14.694 2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.577 15.199 1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.513 16.219 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.755 16.065 -0.548 1.00 0.00 H new ATOM 647 N MET A 42 9.041 14.630 1.128 1.00 0.00 N ATOM 648 CA MET A 42 9.835 15.841 0.926 1.00 0.00 C ATOM 649 C MET A 42 10.110 16.129 -0.539 1.00 0.00 C ATOM 650 O MET A 42 9.887 17.249 -1.019 1.00 0.00 O ATOM 651 CB MET A 42 11.153 15.786 1.713 1.00 0.00 C ATOM 652 CG MET A 42 10.980 15.711 3.224 1.00 0.00 C ATOM 653 SD MET A 42 10.042 17.100 3.892 1.00 0.00 S ATOM 654 CE MET A 42 10.076 16.718 5.642 1.00 0.00 C ATOM 0 H MET A 42 9.574 13.821 1.446 1.00 0.00 H new ATOM 0 HA MET A 42 9.230 16.663 1.309 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.724 14.919 1.381 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.744 16.669 1.470 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.474 14.780 3.481 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.962 15.681 3.696 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.535 17.488 6.193 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.604 15.750 5.812 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.109 16.683 5.987 1.00 0.00 H new ATOM 664 N ASN A 43 10.513 15.105 -1.269 1.00 0.00 N ATOM 665 CA ASN A 43 10.923 15.276 -2.660 1.00 0.00 C ATOM 666 C ASN A 43 9.680 15.301 -3.554 1.00 0.00 C ATOM 667 O ASN A 43 8.574 15.156 -3.061 1.00 0.00 O ATOM 668 CB ASN A 43 11.916 14.157 -3.060 1.00 0.00 C ATOM 669 CG ASN A 43 12.606 14.365 -4.402 1.00 0.00 C ATOM 670 OD1 ASN A 43 12.127 13.923 -5.428 1.00 0.00 O ATOM 671 ND2 ASN A 43 13.733 15.035 -4.396 1.00 0.00 N ATOM 0 H ASN A 43 10.567 14.146 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 43 11.443 16.225 -2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.678 14.072 -2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.381 13.208 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.234 15.198 -5.269 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.109 15.393 -3.518 1.00 0.00 H new ATOM 761 N LEU A 48 0.560 10.214 -6.640 1.00 0.00 N ATOM 762 CA LEU A 48 -0.672 10.801 -7.091 1.00 0.00 C ATOM 763 C LEU A 48 -1.672 9.729 -7.430 1.00 0.00 C ATOM 764 O LEU A 48 -1.284 8.667 -7.940 1.00 0.00 O ATOM 765 CB LEU A 48 -0.494 11.773 -8.277 1.00 0.00 C ATOM 766 CG LEU A 48 -0.156 13.233 -7.924 1.00 0.00 C ATOM 767 CD1 LEU A 48 1.238 13.385 -7.335 1.00 0.00 C ATOM 768 CD2 LEU A 48 -0.335 14.135 -9.134 1.00 0.00 C ATOM 0 HA LEU A 48 -1.048 11.400 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.296 11.386 -8.920 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.413 11.768 -8.863 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.858 13.542 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.423 14.434 -7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.314 12.794 -6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.978 13.036 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.091 15.162 -8.862 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.327 13.805 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.369 14.086 -9.474 1.00 0.00 H new ATOM 780 N PRO A 49 -2.948 9.947 -7.055 1.00 0.00 N ATOM 781 CA PRO A 49 -4.050 9.030 -7.355 1.00 0.00 C ATOM 782 C PRO A 49 -4.052 8.573 -8.813 1.00 0.00 C ATOM 783 O PRO A 49 -3.842 9.368 -9.734 1.00 0.00 O ATOM 784 CB PRO A 49 -5.287 9.876 -7.075 1.00 0.00 C ATOM 785 CG PRO A 49 -4.857 10.822 -6.021 1.00 0.00 C ATOM 786 CD PRO A 49 -3.419 11.130 -6.303 1.00 0.00 C ATOM 0 HA PRO A 49 -3.987 8.114 -6.767 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.619 10.403 -7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.122 9.260 -6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.461 11.729 -6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.975 10.382 -5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.312 12.044 -6.887 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.852 11.271 -5.383 1.00 0.00 H new ATOM 794 N GLY A 50 -4.287 7.305 -8.996 1.00 0.00 N ATOM 795 CA GLY A 50 -4.282 6.712 -10.291 1.00 0.00 C ATOM 796 C GLY A 50 -3.057 5.866 -10.505 1.00 0.00 C ATOM 797 O GLY A 50 -3.056 4.977 -11.350 1.00 0.00 O ATOM 0 H GLY A 50 -4.489 6.652 -8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.175 6.099 -10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.323 7.493 -11.050 1.00 0.00 H new ATOM 801 N ASP A 51 -2.009 6.128 -9.735 1.00 0.00 N ATOM 802 CA ASP A 51 -0.765 5.399 -9.918 1.00 0.00 C ATOM 803 C ASP A 51 -0.761 4.076 -9.159 1.00 0.00 C ATOM 804 O ASP A 51 -1.498 3.881 -8.167 1.00 0.00 O ATOM 805 CB ASP A 51 0.478 6.234 -9.567 1.00 0.00 C ATOM 806 CG ASP A 51 1.770 5.653 -10.142 1.00 0.00 C ATOM 807 OD1 ASP A 51 1.708 4.818 -11.051 1.00 0.00 O ATOM 808 OD2 ASP A 51 2.874 6.015 -9.681 1.00 0.00 O ATOM 0 H ASP A 51 -1.995 6.826 -8.992 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.709 5.177 -10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.345 7.249 -9.941 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.568 6.303 -8.483 1.00 0.00 H new ATOM 813 N LYS A 52 0.085 3.221 -9.613 1.00 0.00 N ATOM 814 CA LYS A 52 0.283 1.892 -9.091 1.00 0.00 C ATOM 815 C LYS A 52 1.534 1.913 -8.235 1.00 0.00 C ATOM 816 O LYS A 52 2.613 2.351 -8.697 1.00 0.00 O ATOM 817 CB LYS A 52 0.437 0.906 -10.266 1.00 0.00 C ATOM 818 CG LYS A 52 0.726 -0.545 -9.893 1.00 0.00 C ATOM 819 CD LYS A 52 0.646 -1.436 -11.133 1.00 0.00 C ATOM 820 CE LYS A 52 1.152 -2.847 -10.867 1.00 0.00 C ATOM 821 NZ LYS A 52 2.614 -2.887 -10.723 1.00 0.00 N ATOM 0 H LYS A 52 0.697 3.430 -10.402 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.567 1.573 -8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.478 0.932 -10.858 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.242 1.262 -10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.716 -0.622 -9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.010 -0.885 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.387 -1.482 -11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.231 -0.989 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.687 -3.234 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.850 -3.501 -11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.905 -3.830 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.059 -2.689 -11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.914 -2.171 -10.031 1.00 0.00 H new ATOM 835 N VAL A 53 1.411 1.475 -7.010 1.00 0.00 N ATOM 836 CA VAL A 53 2.521 1.498 -6.089 1.00 0.00 C ATOM 837 C VAL A 53 2.681 0.173 -5.391 1.00 0.00 C ATOM 838 O VAL A 53 1.724 -0.622 -5.300 1.00 0.00 O ATOM 839 CB VAL A 53 2.407 2.627 -5.014 1.00 0.00 C ATOM 840 CG1 VAL A 53 2.388 4.006 -5.654 1.00 0.00 C ATOM 841 CG2 VAL A 53 1.174 2.435 -4.134 1.00 0.00 C ATOM 0 H VAL A 53 0.547 1.095 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 53 3.399 1.705 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 53 3.293 2.557 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.308 4.767 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.309 4.158 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.534 4.083 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.124 3.237 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.278 2.456 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.238 1.475 -3.622 1.00 0.00 H new ATOM 851 N THR A 54 3.863 -0.049 -4.896 1.00 0.00 N ATOM 852 CA THR A 54 4.184 -1.227 -4.174 1.00 0.00 C ATOM 853 C THR A 54 4.128 -0.889 -2.679 1.00 0.00 C ATOM 854 O THR A 54 4.820 0.040 -2.204 1.00 0.00 O ATOM 855 CB THR A 54 5.592 -1.694 -4.566 1.00 0.00 C ATOM 856 OG1 THR A 54 5.710 -1.665 -6.007 1.00 0.00 O ATOM 857 CG2 THR A 54 5.849 -3.114 -4.069 1.00 0.00 C ATOM 0 H THR A 54 4.642 0.603 -4.989 1.00 0.00 H new ATOM 0 HA THR A 54 3.481 -2.029 -4.400 1.00 0.00 H new ATOM 0 HB THR A 54 6.325 -1.029 -4.110 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.872 -1.974 -6.410 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.853 -3.425 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.759 -3.141 -2.983 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.118 -3.792 -4.510 1.00 0.00 H new ATOM 865 N VAL A 55 3.297 -1.596 -1.964 1.00 0.00 N ATOM 866 CA VAL A 55 3.076 -1.336 -0.575 1.00 0.00 C ATOM 867 C VAL A 55 3.634 -2.476 0.277 1.00 0.00 C ATOM 868 O VAL A 55 3.491 -3.654 -0.067 1.00 0.00 O ATOM 869 CB VAL A 55 1.544 -1.124 -0.273 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.714 -2.388 -0.513 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.323 -0.603 1.130 1.00 0.00 C ATOM 0 H VAL A 55 2.752 -2.374 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 55 3.601 -0.416 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 55 1.197 -0.371 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.333 -2.184 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.809 -2.694 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.074 -3.188 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.255 -0.468 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.721 -1.318 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.833 0.353 1.248 1.00 0.00 H new ATOM 881 N GLU A 56 4.294 -2.124 1.345 1.00 0.00 N ATOM 882 CA GLU A 56 4.767 -3.099 2.291 1.00 0.00 C ATOM 883 C GLU A 56 3.714 -3.180 3.385 1.00 0.00 C ATOM 884 O GLU A 56 3.201 -2.146 3.830 1.00 0.00 O ATOM 885 CB GLU A 56 6.122 -2.674 2.892 1.00 0.00 C ATOM 886 CG GLU A 56 6.050 -1.400 3.716 1.00 0.00 C ATOM 887 CD GLU A 56 7.344 -1.000 4.336 1.00 0.00 C ATOM 888 OE1 GLU A 56 7.661 -1.438 5.444 1.00 0.00 O ATOM 889 OE2 GLU A 56 8.026 -0.167 3.763 1.00 0.00 O ATOM 0 H GLU A 56 4.519 -1.158 1.585 1.00 0.00 H new ATOM 0 HA GLU A 56 4.920 -4.064 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.501 -3.481 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.840 -2.534 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.699 -0.588 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.308 -1.531 4.503 1.00 0.00 H new ATOM 896 N MET A 57 3.312 -4.355 3.745 1.00 0.00 N ATOM 897 CA MET A 57 2.319 -4.502 4.778 1.00 0.00 C ATOM 898 C MET A 57 2.790 -5.511 5.767 1.00 0.00 C ATOM 899 O MET A 57 3.581 -6.406 5.434 1.00 0.00 O ATOM 900 CB MET A 57 0.977 -4.951 4.226 1.00 0.00 C ATOM 901 CG MET A 57 0.741 -4.567 2.774 1.00 0.00 C ATOM 902 SD MET A 57 -0.979 -4.667 2.287 1.00 0.00 S ATOM 903 CE MET A 57 -1.630 -3.356 3.301 1.00 0.00 C ATOM 0 H MET A 57 3.650 -5.230 3.345 1.00 0.00 H new ATOM 0 HA MET A 57 2.182 -3.526 5.244 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.902 -6.034 4.321 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.183 -4.522 4.837 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.099 -3.551 2.611 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.332 -5.220 2.132 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.715 -3.444 3.357 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.208 -3.428 4.304 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.366 -2.393 2.864 1.00 0.00 H new ATOM 913 N SER A 58 2.314 -5.402 6.956 1.00 0.00 N ATOM 914 CA SER A 58 2.723 -6.276 7.995 1.00 0.00 C ATOM 915 C SER A 58 1.968 -7.579 7.797 1.00 0.00 C ATOM 916 O SER A 58 0.776 -7.539 7.498 1.00 0.00 O ATOM 917 CB SER A 58 2.318 -5.675 9.324 1.00 0.00 C ATOM 918 OG SER A 58 2.410 -4.263 9.290 1.00 0.00 O ATOM 0 H SER A 58 1.628 -4.701 7.236 1.00 0.00 H new ATOM 0 HA SER A 58 3.801 -6.435 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.297 -5.971 9.565 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.958 -6.066 10.115 1.00 0.00 H new ATOM 0 HG SER A 58 1.531 -3.883 9.081 1.00 0.00 H new ATOM 924 N PRO A 59 2.621 -8.747 7.977 1.00 0.00 N ATOM 925 CA PRO A 59 1.971 -10.070 7.805 1.00 0.00 C ATOM 926 C PRO A 59 0.778 -10.266 8.752 1.00 0.00 C ATOM 927 O PRO A 59 -0.012 -11.179 8.591 1.00 0.00 O ATOM 928 CB PRO A 59 3.088 -11.068 8.153 1.00 0.00 C ATOM 929 CG PRO A 59 4.356 -10.310 7.972 1.00 0.00 C ATOM 930 CD PRO A 59 4.047 -8.889 8.339 1.00 0.00 C ATOM 0 HA PRO A 59 1.565 -10.190 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.988 -11.430 9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.054 -11.941 7.501 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.145 -10.714 8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.708 -10.379 6.943 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.213 -8.702 9.400 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.673 -8.186 7.790 1.00 0.00 H new ATOM 938 N TYR A 60 0.678 -9.396 9.732 1.00 0.00 N ATOM 939 CA TYR A 60 -0.357 -9.469 10.727 1.00 0.00 C ATOM 940 C TYR A 60 -1.544 -8.525 10.393 1.00 0.00 C ATOM 941 O TYR A 60 -2.579 -8.598 11.041 1.00 0.00 O ATOM 942 CB TYR A 60 0.256 -9.140 12.111 1.00 0.00 C ATOM 943 CG TYR A 60 -0.670 -9.325 13.304 1.00 0.00 C ATOM 944 CD1 TYR A 60 -0.985 -10.597 13.769 1.00 0.00 C ATOM 945 CD2 TYR A 60 -1.225 -8.231 13.962 1.00 0.00 C ATOM 946 CE1 TYR A 60 -1.825 -10.775 14.853 1.00 0.00 C ATOM 947 CE2 TYR A 60 -2.064 -8.401 15.047 1.00 0.00 C ATOM 948 CZ TYR A 60 -2.361 -9.675 15.489 1.00 0.00 C ATOM 949 OH TYR A 60 -3.195 -9.849 16.572 1.00 0.00 O ATOM 0 H TYR A 60 1.320 -8.613 9.858 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.765 -10.480 10.743 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.136 -9.767 12.257 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.600 -8.106 12.099 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.566 -11.461 13.275 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.996 -7.233 13.619 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.060 -11.770 15.200 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.485 -7.541 15.547 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.486 -8.974 16.905 1.00 0.00 H new ATOM 959 N ASP A 61 -1.416 -7.658 9.377 1.00 0.00 N ATOM 960 CA ASP A 61 -2.532 -6.734 9.111 1.00 0.00 C ATOM 961 C ASP A 61 -3.082 -6.810 7.675 1.00 0.00 C ATOM 962 O ASP A 61 -4.234 -7.199 7.475 1.00 0.00 O ATOM 963 CB ASP A 61 -2.271 -5.237 9.565 1.00 0.00 C ATOM 964 CG ASP A 61 -1.362 -4.380 8.684 1.00 0.00 C ATOM 965 OD1 ASP A 61 -1.842 -3.893 7.648 1.00 0.00 O ATOM 966 OD2 ASP A 61 -0.187 -4.139 9.043 1.00 0.00 O ATOM 0 H ASP A 61 -0.607 -7.575 8.761 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.322 -7.108 9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.236 -4.736 9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.844 -5.259 10.568 1.00 0.00 H new ATOM 971 N LEU A 62 -2.266 -6.424 6.693 1.00 0.00 N ATOM 972 CA LEU A 62 -2.668 -6.344 5.270 1.00 0.00 C ATOM 973 C LEU A 62 -3.824 -5.361 5.064 1.00 0.00 C ATOM 974 O LEU A 62 -4.612 -5.463 4.106 1.00 0.00 O ATOM 975 CB LEU A 62 -2.971 -7.717 4.617 1.00 0.00 C ATOM 976 CG LEU A 62 -1.759 -8.525 4.106 1.00 0.00 C ATOM 977 CD1 LEU A 62 -0.870 -8.994 5.239 1.00 0.00 C ATOM 978 CD2 LEU A 62 -2.222 -9.706 3.266 1.00 0.00 C ATOM 0 H LEU A 62 -1.296 -6.153 6.855 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.792 -5.960 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.506 -8.329 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.648 -7.553 3.779 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.164 -7.859 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.030 -9.558 4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.495 -8.131 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.444 -9.631 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.355 -10.264 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.852 -10.358 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.791 -9.343 2.410 1.00 0.00 H new ATOM 990 N THR A 63 -3.903 -4.386 5.935 1.00 0.00 N ATOM 991 CA THR A 63 -4.898 -3.375 5.820 1.00 0.00 C ATOM 992 C THR A 63 -4.253 -1.976 5.874 1.00 0.00 C ATOM 993 O THR A 63 -4.899 -0.960 5.587 1.00 0.00 O ATOM 994 CB THR A 63 -6.016 -3.529 6.899 1.00 0.00 C ATOM 995 OG1 THR A 63 -7.108 -2.639 6.608 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.493 -3.242 8.303 1.00 0.00 C ATOM 0 H THR A 63 -3.279 -4.280 6.735 1.00 0.00 H new ATOM 0 HA THR A 63 -5.381 -3.493 4.850 1.00 0.00 H new ATOM 0 HB THR A 63 -6.358 -4.563 6.868 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.758 -1.802 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.302 -3.360 9.024 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.690 -3.939 8.542 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.113 -2.221 8.348 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.992 -1.932 6.228 1.00 0.00 N ATOM 1005 CA ARG A 64 -2.268 -0.711 6.365 1.00 0.00 C ATOM 1006 C ARG A 64 -0.823 -0.977 5.882 1.00 0.00 C ATOM 1007 O ARG A 64 -0.270 -2.031 6.141 1.00 0.00 O ATOM 1008 CB ARG A 64 -2.335 -0.320 7.876 1.00 0.00 C ATOM 1009 CG ARG A 64 -1.835 1.079 8.283 1.00 0.00 C ATOM 1010 CD ARG A 64 -0.353 1.223 8.067 1.00 0.00 C ATOM 1011 NE ARG A 64 0.381 0.102 8.707 1.00 0.00 N ATOM 1012 CZ ARG A 64 1.656 -0.253 8.470 1.00 0.00 C ATOM 1013 NH1 ARG A 64 2.447 0.518 7.717 1.00 0.00 N ATOM 1014 NH2 ARG A 64 2.129 -1.388 8.985 1.00 0.00 N ATOM 0 H ARG A 64 -2.438 -2.764 6.431 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.673 0.111 5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.372 -0.411 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.760 -1.057 8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.363 1.837 7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.069 1.259 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.136 1.244 6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.011 2.172 8.480 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.132 -0.452 9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.085 1.383 7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.413 0.241 7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.525 -1.980 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.095 -1.664 8.810 1.00 0.00 H new ATOM 1028 N GLY A 65 -0.225 -0.039 5.179 1.00 0.00 N ATOM 1029 CA GLY A 65 1.122 -0.257 4.718 1.00 0.00 C ATOM 1030 C GLY A 65 1.923 1.014 4.518 1.00 0.00 C ATOM 1031 O GLY A 65 1.605 2.068 5.098 1.00 0.00 O ATOM 0 H GLY A 65 -0.639 0.857 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.642 -0.892 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.088 -0.804 3.776 1.00 0.00 H new ATOM 1035 N ARG A 66 2.980 0.906 3.745 1.00 0.00 N ATOM 1036 CA ARG A 66 3.829 2.030 3.376 1.00 0.00 C ATOM 1037 C ARG A 66 4.272 1.905 1.925 1.00 0.00 C ATOM 1038 O ARG A 66 4.456 0.794 1.426 1.00 0.00 O ATOM 1039 CB ARG A 66 5.076 2.156 4.298 1.00 0.00 C ATOM 1040 CG ARG A 66 6.122 3.145 3.760 1.00 0.00 C ATOM 1041 CD ARG A 66 7.301 3.359 4.667 1.00 0.00 C ATOM 1042 NE ARG A 66 7.973 2.106 5.033 1.00 0.00 N ATOM 1043 CZ ARG A 66 8.772 1.896 6.086 1.00 0.00 C ATOM 1044 NH1 ARG A 66 9.148 2.914 6.871 1.00 0.00 N ATOM 1045 NH2 ARG A 66 9.191 0.662 6.347 1.00 0.00 N ATOM 0 H ARG A 66 3.285 0.019 3.344 1.00 0.00 H new ATOM 0 HA ARG A 66 3.233 2.934 3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.757 2.477 5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.537 1.175 4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.482 2.785 2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.638 4.105 3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.016 4.019 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.969 3.866 5.573 1.00 0.00 H new ATOM 0 HE ARG A 66 7.814 1.308 4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.825 3.860 6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.757 2.743 7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.903 -0.112 5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.800 0.489 7.146 1.00 0.00 H new ATOM 1059 N ILE A 67 4.401 3.038 1.257 1.00 0.00 N ATOM 1060 CA ILE A 67 4.911 3.090 -0.087 1.00 0.00 C ATOM 1061 C ILE A 67 6.409 3.186 -0.052 1.00 0.00 C ATOM 1062 O ILE A 67 6.980 4.103 0.583 1.00 0.00 O ATOM 1063 CB ILE A 67 4.373 4.299 -0.921 1.00 0.00 C ATOM 1064 CG1 ILE A 67 2.915 4.134 -1.262 1.00 0.00 C ATOM 1065 CG2 ILE A 67 5.191 4.521 -2.174 1.00 0.00 C ATOM 1066 CD1 ILE A 67 1.981 4.480 -0.139 1.00 0.00 C ATOM 0 H ILE A 67 4.151 3.949 1.641 1.00 0.00 H new ATOM 0 HA ILE A 67 4.569 2.175 -0.572 1.00 0.00 H new ATOM 0 HB ILE A 67 4.473 5.185 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.681 4.761 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.738 3.101 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.787 5.369 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.226 4.726 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.150 3.628 -2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.951 4.335 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.185 3.836 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.127 5.521 0.148 1.00 0.00 H new ATOM 1078 N THR A 68 7.035 2.263 -0.693 1.00 0.00 N ATOM 1079 CA THR A 68 8.463 2.298 -0.827 1.00 0.00 C ATOM 1080 C THR A 68 8.877 2.550 -2.268 1.00 0.00 C ATOM 1081 O THR A 68 9.946 3.111 -2.532 1.00 0.00 O ATOM 1082 CB THR A 68 9.073 0.994 -0.335 1.00 0.00 C ATOM 1083 OG1 THR A 68 8.286 -0.112 -0.820 1.00 0.00 O ATOM 1084 CG2 THR A 68 9.117 0.969 1.167 1.00 0.00 C ATOM 0 H THR A 68 6.583 1.465 -1.139 1.00 0.00 H new ATOM 0 HA THR A 68 8.833 3.121 -0.216 1.00 0.00 H new ATOM 0 HB THR A 68 10.092 0.913 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.677 -0.954 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.556 0.029 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.722 1.801 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.105 1.058 1.562 1.00 0.00 H new ATOM 1092 N TYR A 69 8.000 2.209 -3.197 1.00 0.00 N ATOM 1093 CA TYR A 69 8.293 2.365 -4.585 1.00 0.00 C ATOM 1094 C TYR A 69 6.998 2.411 -5.360 1.00 0.00 C ATOM 1095 O TYR A 69 5.945 1.992 -4.860 1.00 0.00 O ATOM 1096 CB TYR A 69 9.142 1.178 -5.062 1.00 0.00 C ATOM 1097 CG TYR A 69 9.746 1.345 -6.450 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.747 2.283 -6.680 1.00 0.00 C ATOM 1099 CD2 TYR A 69 9.317 0.572 -7.522 1.00 0.00 C ATOM 1100 CE1 TYR A 69 11.299 2.448 -7.936 1.00 0.00 C ATOM 1101 CE2 TYR A 69 9.868 0.732 -8.781 1.00 0.00 C ATOM 1102 CZ TYR A 69 10.856 1.671 -8.982 1.00 0.00 C ATOM 1103 OH TYR A 69 11.399 1.837 -10.235 1.00 0.00 O ATOM 0 H TYR A 69 7.078 1.821 -2.999 1.00 0.00 H new ATOM 0 HA TYR A 69 8.847 3.290 -4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.948 1.015 -4.347 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.524 0.280 -5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 69 11.099 2.894 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.542 -0.165 -7.370 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.074 3.183 -8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.525 0.123 -9.604 1.00 0.00 H new ATOM 0 HH TYR A 69 10.977 1.211 -10.860 1.00 0.00 H new ATOM 1113 N ARG A 70 7.066 2.925 -6.551 1.00 0.00 N ATOM 1114 CA ARG A 70 5.944 2.970 -7.420 1.00 0.00 C ATOM 1115 C ARG A 70 6.278 2.201 -8.679 1.00 0.00 C ATOM 1116 O ARG A 70 7.056 2.642 -9.519 1.00 0.00 O ATOM 1117 CB ARG A 70 5.533 4.418 -7.684 1.00 0.00 C ATOM 1118 CG ARG A 70 6.638 5.315 -8.248 1.00 0.00 C ATOM 1119 CD ARG A 70 6.330 6.788 -8.042 1.00 0.00 C ATOM 1120 NE ARG A 70 5.028 7.188 -8.576 1.00 0.00 N ATOM 1121 CZ ARG A 70 4.509 8.407 -8.480 1.00 0.00 C ATOM 1122 NH1 ARG A 70 5.146 9.361 -7.806 1.00 0.00 N ATOM 1123 NH2 ARG A 70 3.327 8.649 -9.026 1.00 0.00 N ATOM 0 H ARG A 70 7.916 3.328 -6.945 1.00 0.00 H new ATOM 0 HA ARG A 70 5.077 2.494 -6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.694 4.420 -8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.174 4.853 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.585 5.071 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.761 5.115 -9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.362 7.013 -6.976 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.109 7.385 -8.517 1.00 0.00 H new ATOM 0 HE ARG A 70 4.477 6.478 -9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.040 9.159 -7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.740 10.294 -7.737 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.828 7.904 -9.512 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.916 9.580 -8.960 1.00 0.00 H new