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 37 SER OG : rot 9:sc= -0.135 USER MOD Set 1.2: A 39 LYS NZ :NH3+ 148:sc= 0.562 (180deg=-1.8!) USER MOD Set 2.1: A 30 HIS : no HE2:sc= 1.08 K(o=1.4,f=-4.1!) USER MOD Set 2.2: A 63 THR OG1 : rot 80:sc= 0.298 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 45:sc= 0.338 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= 2.41 (180deg=2.2) USER MOD Single : A 28 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 35 HIS : no HE2:sc= 1.03 K(o=1,f=-4.7!) USER MOD Single : A 42 MET CE :methyl 154:sc= 0 (180deg=-0.621) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= 1.42 (180deg=0.739) USER MOD Single : A 54 THR OG1 : rot -34:sc= 1.25 USER MOD Single : A 57 MET CE :methyl 165:sc= -2.9 (180deg=-3.27!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -102:sc= 1.26 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 6 7.884 -9.197 6.376 1.00 0.00 N ATOM 82 CA VAL A 6 6.912 -8.243 5.969 1.00 0.00 C ATOM 83 C VAL A 6 6.475 -8.685 4.584 1.00 0.00 C ATOM 84 O VAL A 6 7.285 -9.233 3.826 1.00 0.00 O ATOM 85 CB VAL A 6 7.513 -6.789 5.928 1.00 0.00 C ATOM 86 CG1 VAL A 6 6.485 -5.758 5.502 1.00 0.00 C ATOM 87 CG2 VAL A 6 8.109 -6.399 7.278 1.00 0.00 C ATOM 0 HA VAL A 6 6.077 -8.202 6.669 1.00 0.00 H new ATOM 0 HB VAL A 6 8.307 -6.802 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.945 -4.770 5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.117 -6.001 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.653 -5.761 6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.516 -5.390 7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.332 -6.432 8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.905 -7.096 7.539 1.00 0.00 H new ATOM 97 N ILE A 7 5.233 -8.489 4.256 1.00 0.00 N ATOM 98 CA ILE A 7 4.716 -8.950 3.002 1.00 0.00 C ATOM 99 C ILE A 7 4.581 -7.766 2.077 1.00 0.00 C ATOM 100 O ILE A 7 4.090 -6.701 2.476 1.00 0.00 O ATOM 101 CB ILE A 7 3.331 -9.653 3.182 1.00 0.00 C ATOM 102 CG1 ILE A 7 3.434 -10.833 4.170 1.00 0.00 C ATOM 103 CG2 ILE A 7 2.764 -10.130 1.845 1.00 0.00 C ATOM 104 CD1 ILE A 7 4.415 -11.927 3.764 1.00 0.00 C ATOM 0 H ILE A 7 4.553 -8.008 4.845 1.00 0.00 H new ATOM 0 HA ILE A 7 5.403 -9.684 2.580 1.00 0.00 H new ATOM 0 HB ILE A 7 2.645 -8.913 3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.727 -10.446 5.146 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.445 -11.277 4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.801 -10.613 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.632 -9.276 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.454 -10.841 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.418 -12.712 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.114 -12.348 2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.416 -11.504 3.677 1.00 0.00 H new ATOM 116 N GLU A 8 5.040 -7.935 0.876 1.00 0.00 N ATOM 117 CA GLU A 8 5.014 -6.893 -0.096 1.00 0.00 C ATOM 118 C GLU A 8 3.873 -7.171 -1.056 1.00 0.00 C ATOM 119 O GLU A 8 3.858 -8.190 -1.746 1.00 0.00 O ATOM 120 CB GLU A 8 6.354 -6.864 -0.835 1.00 0.00 C ATOM 121 CG GLU A 8 7.553 -6.811 0.110 1.00 0.00 C ATOM 122 CD GLU A 8 8.880 -6.878 -0.597 1.00 0.00 C ATOM 123 OE1 GLU A 8 9.118 -7.847 -1.345 1.00 0.00 O ATOM 124 OE2 GLU A 8 9.722 -5.971 -0.389 1.00 0.00 O ATOM 0 H GLU A 8 5.446 -8.809 0.542 1.00 0.00 H new ATOM 0 HA GLU A 8 4.861 -5.922 0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.434 -7.749 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.380 -5.998 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.506 -5.890 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.485 -7.638 0.817 1.00 0.00 H new ATOM 131 N LEU A 9 2.920 -6.293 -1.060 1.00 0.00 N ATOM 132 CA LEU A 9 1.748 -6.399 -1.897 1.00 0.00 C ATOM 133 C LEU A 9 1.635 -5.134 -2.675 1.00 0.00 C ATOM 134 O LEU A 9 2.282 -4.155 -2.341 1.00 0.00 O ATOM 135 CB LEU A 9 0.459 -6.608 -1.072 1.00 0.00 C ATOM 136 CG LEU A 9 0.361 -7.884 -0.221 1.00 0.00 C ATOM 137 CD1 LEU A 9 -1.004 -7.971 0.430 1.00 0.00 C ATOM 138 CD2 LEU A 9 0.622 -9.128 -1.062 1.00 0.00 C ATOM 0 H LEU A 9 2.927 -5.460 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 9 1.857 -7.266 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.342 -5.751 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.386 -6.597 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 9 1.125 -7.834 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.063 -8.879 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.158 -7.102 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.774 -7.995 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.546 -10.015 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.115 -9.187 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.622 -9.073 -1.492 1.00 0.00 H new ATOM 150 N GLU A 10 0.891 -5.137 -3.723 1.00 0.00 N ATOM 151 CA GLU A 10 0.727 -3.931 -4.456 1.00 0.00 C ATOM 152 C GLU A 10 -0.724 -3.529 -4.517 1.00 0.00 C ATOM 153 O GLU A 10 -1.629 -4.328 -4.196 1.00 0.00 O ATOM 154 CB GLU A 10 1.320 -4.020 -5.844 1.00 0.00 C ATOM 155 CG GLU A 10 2.781 -4.399 -5.873 1.00 0.00 C ATOM 156 CD GLU A 10 3.434 -3.938 -7.127 1.00 0.00 C ATOM 157 OE1 GLU A 10 3.044 -4.419 -8.215 1.00 0.00 O ATOM 158 OE2 GLU A 10 4.287 -3.043 -7.041 1.00 0.00 O ATOM 0 H GLU A 10 0.392 -5.948 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 10 1.277 -3.157 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.755 -4.752 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.196 -3.058 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.289 -3.962 -5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.880 -5.481 -5.785 1.00 0.00 H new ATOM 165 N GLY A 11 -0.948 -2.305 -4.892 1.00 0.00 N ATOM 166 CA GLY A 11 -2.270 -1.803 -5.014 1.00 0.00 C ATOM 167 C GLY A 11 -2.299 -0.557 -5.836 1.00 0.00 C ATOM 168 O GLY A 11 -1.252 -0.066 -6.272 1.00 0.00 O ATOM 0 H GLY A 11 -0.216 -1.633 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.908 -2.559 -5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.677 -1.599 -4.024 1.00 0.00 H new ATOM 172 N THR A 12 -3.467 -0.043 -6.041 1.00 0.00 N ATOM 173 CA THR A 12 -3.660 1.157 -6.794 1.00 0.00 C ATOM 174 C THR A 12 -4.213 2.223 -5.861 1.00 0.00 C ATOM 175 O THR A 12 -5.163 1.983 -5.132 1.00 0.00 O ATOM 176 CB THR A 12 -4.659 0.901 -7.920 1.00 0.00 C ATOM 177 OG1 THR A 12 -4.232 -0.259 -8.654 1.00 0.00 O ATOM 178 CG2 THR A 12 -4.733 2.095 -8.866 1.00 0.00 C ATOM 0 H THR A 12 -4.331 -0.451 -5.684 1.00 0.00 H new ATOM 0 HA THR A 12 -2.714 1.485 -7.225 1.00 0.00 H new ATOM 0 HB THR A 12 -5.648 0.744 -7.489 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.865 -0.438 -9.380 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.451 1.887 -9.659 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.049 2.979 -8.312 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.751 2.274 -9.304 1.00 0.00 H new ATOM 186 N VAL A 13 -3.617 3.363 -5.854 1.00 0.00 N ATOM 187 CA VAL A 13 -4.068 4.423 -4.983 1.00 0.00 C ATOM 188 C VAL A 13 -5.139 5.261 -5.637 1.00 0.00 C ATOM 189 O VAL A 13 -4.996 5.695 -6.776 1.00 0.00 O ATOM 190 CB VAL A 13 -2.901 5.268 -4.429 1.00 0.00 C ATOM 191 CG1 VAL A 13 -1.960 5.632 -5.524 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.393 6.517 -3.704 1.00 0.00 C ATOM 0 H VAL A 13 -2.814 3.599 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.527 3.951 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.373 4.658 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.142 6.228 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.559 4.725 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.489 6.210 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.538 7.081 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.964 7.137 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.029 6.226 -2.868 1.00 0.00 H new ATOM 202 N LEU A 14 -6.222 5.431 -4.928 1.00 0.00 N ATOM 203 CA LEU A 14 -7.361 6.163 -5.423 1.00 0.00 C ATOM 204 C LEU A 14 -7.475 7.535 -4.784 1.00 0.00 C ATOM 205 O LEU A 14 -7.840 8.498 -5.443 1.00 0.00 O ATOM 206 CB LEU A 14 -8.654 5.369 -5.220 1.00 0.00 C ATOM 207 CG LEU A 14 -8.725 3.995 -5.904 1.00 0.00 C ATOM 208 CD1 LEU A 14 -10.061 3.336 -5.626 1.00 0.00 C ATOM 209 CD2 LEU A 14 -8.495 4.116 -7.408 1.00 0.00 C ATOM 0 H LEU A 14 -6.342 5.064 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.206 6.309 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.803 5.226 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.487 5.974 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.932 3.371 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.096 2.364 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.185 3.204 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.864 3.965 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.551 3.128 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.259 4.761 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.510 4.546 -7.592 1.00 0.00 H new ATOM 221 N ASP A 15 -7.103 7.637 -3.519 1.00 0.00 N ATOM 222 CA ASP A 15 -7.371 8.858 -2.767 1.00 0.00 C ATOM 223 C ASP A 15 -6.110 9.384 -2.129 1.00 0.00 C ATOM 224 O ASP A 15 -5.211 8.611 -1.746 1.00 0.00 O ATOM 225 CB ASP A 15 -8.373 8.589 -1.630 1.00 0.00 C ATOM 226 CG ASP A 15 -9.686 7.947 -2.061 1.00 0.00 C ATOM 227 OD1 ASP A 15 -9.737 6.687 -2.145 1.00 0.00 O ATOM 228 OD2 ASP A 15 -10.663 8.674 -2.279 1.00 0.00 O ATOM 0 H ASP A 15 -6.623 6.905 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.775 9.583 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.896 7.943 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.595 9.533 -1.132 1.00 0.00 H new ATOM 233 N THR A 16 -6.054 10.683 -1.987 1.00 0.00 N ATOM 234 CA THR A 16 -4.952 11.370 -1.367 1.00 0.00 C ATOM 235 C THR A 16 -5.326 11.716 0.062 1.00 0.00 C ATOM 236 O THR A 16 -6.326 12.404 0.294 1.00 0.00 O ATOM 237 CB THR A 16 -4.665 12.672 -2.131 1.00 0.00 C ATOM 238 OG1 THR A 16 -5.907 13.363 -2.359 1.00 0.00 O ATOM 239 CG2 THR A 16 -4.000 12.392 -3.457 1.00 0.00 C ATOM 0 H THR A 16 -6.793 11.308 -2.308 1.00 0.00 H new ATOM 0 HA THR A 16 -4.069 10.731 -1.382 1.00 0.00 H new ATOM 0 HB THR A 16 -3.990 13.284 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.442 13.353 -1.538 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.810 13.332 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.056 11.873 -3.288 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.653 11.768 -4.067 1.00 0.00 H new ATOM 247 N LEU A 17 -4.556 11.250 1.006 1.00 0.00 N ATOM 248 CA LEU A 17 -4.863 11.482 2.388 1.00 0.00 C ATOM 249 C LEU A 17 -3.848 12.462 3.000 1.00 0.00 C ATOM 250 O LEU A 17 -2.711 12.571 2.528 1.00 0.00 O ATOM 251 CB LEU A 17 -4.887 10.157 3.178 1.00 0.00 C ATOM 252 CG LEU A 17 -5.850 9.047 2.702 1.00 0.00 C ATOM 253 CD1 LEU A 17 -5.825 7.900 3.683 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.270 9.574 2.529 1.00 0.00 C ATOM 0 H LEU A 17 -3.709 10.706 0.842 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.857 11.926 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.877 9.747 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.132 10.390 4.214 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.513 8.695 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.505 7.118 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.814 7.499 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.138 8.254 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.920 8.766 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.633 9.960 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.274 10.374 1.788 1.00 0.00 H new ATOM 266 N PRO A 18 -4.262 13.241 3.999 1.00 0.00 N ATOM 267 CA PRO A 18 -3.371 14.159 4.706 1.00 0.00 C ATOM 268 C PRO A 18 -2.240 13.428 5.458 1.00 0.00 C ATOM 269 O PRO A 18 -2.358 12.238 5.776 1.00 0.00 O ATOM 270 CB PRO A 18 -4.294 14.880 5.701 1.00 0.00 C ATOM 271 CG PRO A 18 -5.477 13.988 5.845 1.00 0.00 C ATOM 272 CD PRO A 18 -5.644 13.313 4.518 1.00 0.00 C ATOM 0 HA PRO A 18 -2.864 14.831 4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.798 15.035 6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.584 15.863 5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.321 13.257 6.638 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.367 14.559 6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.087 12.323 4.623 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.294 13.884 3.855 1.00 0.00 H new ATOM 280 N ASN A 19 -1.120 14.138 5.652 1.00 0.00 N ATOM 281 CA ASN A 19 0.032 13.657 6.456 1.00 0.00 C ATOM 282 C ASN A 19 0.846 12.580 5.760 1.00 0.00 C ATOM 283 O ASN A 19 1.490 11.763 6.424 1.00 0.00 O ATOM 284 CB ASN A 19 -0.406 13.186 7.869 1.00 0.00 C ATOM 285 CG ASN A 19 -0.924 14.315 8.742 1.00 0.00 C ATOM 286 OD1 ASN A 19 -2.096 14.651 8.710 1.00 0.00 O ATOM 287 ND2 ASN A 19 -0.057 14.894 9.541 1.00 0.00 N ATOM 0 H ASN A 19 -0.979 15.068 5.257 1.00 0.00 H new ATOM 0 HA ASN A 19 0.687 14.521 6.568 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.183 12.428 7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.440 12.711 8.365 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.357 15.648 10.159 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.916 14.589 9.544 1.00 0.00 H new ATOM 294 N ALA A 20 0.866 12.627 4.417 1.00 0.00 N ATOM 295 CA ALA A 20 1.658 11.700 3.573 1.00 0.00 C ATOM 296 C ALA A 20 1.101 10.282 3.656 1.00 0.00 C ATOM 297 O ALA A 20 1.837 9.278 3.542 1.00 0.00 O ATOM 298 CB ALA A 20 3.153 11.741 3.944 1.00 0.00 C ATOM 0 H ALA A 20 0.333 13.310 3.879 1.00 0.00 H new ATOM 0 HA ALA A 20 1.573 12.032 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.705 11.050 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.536 12.751 3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.277 11.450 4.987 1.00 0.00 H new ATOM 304 N MET A 21 -0.191 10.208 3.836 1.00 0.00 N ATOM 305 CA MET A 21 -0.894 8.961 3.877 1.00 0.00 C ATOM 306 C MET A 21 -1.699 8.912 2.592 1.00 0.00 C ATOM 307 O MET A 21 -1.970 9.946 2.002 1.00 0.00 O ATOM 308 CB MET A 21 -1.860 8.945 5.057 1.00 0.00 C ATOM 309 CG MET A 21 -2.076 7.595 5.714 1.00 0.00 C ATOM 310 SD MET A 21 -0.609 7.004 6.594 1.00 0.00 S ATOM 311 CE MET A 21 -1.241 5.479 7.284 1.00 0.00 C ATOM 0 H MET A 21 -0.789 11.025 3.960 1.00 0.00 H new ATOM 0 HA MET A 21 -0.210 8.119 3.981 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.494 9.641 5.812 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.825 9.322 4.718 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.910 7.665 6.412 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.357 6.866 4.954 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.457 4.988 7.860 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.087 5.698 7.936 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.565 4.821 6.477 1.00 0.00 H new ATOM 321 N PHE A 22 -2.052 7.768 2.149 1.00 0.00 N ATOM 322 CA PHE A 22 -2.835 7.626 0.926 1.00 0.00 C ATOM 323 C PHE A 22 -3.789 6.483 1.073 1.00 0.00 C ATOM 324 O PHE A 22 -3.542 5.569 1.889 1.00 0.00 O ATOM 325 CB PHE A 22 -1.934 7.391 -0.311 1.00 0.00 C ATOM 326 CG PHE A 22 -1.111 8.585 -0.732 1.00 0.00 C ATOM 327 CD1 PHE A 22 0.143 8.808 -0.196 1.00 0.00 C ATOM 328 CD2 PHE A 22 -1.603 9.484 -1.660 1.00 0.00 C ATOM 329 CE1 PHE A 22 0.890 9.904 -0.573 1.00 0.00 C ATOM 330 CE2 PHE A 22 -0.857 10.581 -2.041 1.00 0.00 C ATOM 331 CZ PHE A 22 0.390 10.790 -1.496 1.00 0.00 C ATOM 0 H PHE A 22 -1.820 6.885 2.605 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.381 8.556 0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.261 6.560 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.563 7.087 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.544 8.114 0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.581 9.326 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.867 10.066 -0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.252 11.276 -2.767 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.974 11.649 -1.794 1.00 0.00 H new ATOM 341 N LYS A 23 -4.888 6.511 0.333 1.00 0.00 N ATOM 342 CA LYS A 23 -5.769 5.386 0.365 1.00 0.00 C ATOM 343 C LYS A 23 -5.412 4.560 -0.813 1.00 0.00 C ATOM 344 O LYS A 23 -5.668 4.939 -1.974 1.00 0.00 O ATOM 345 CB LYS A 23 -7.263 5.711 0.292 1.00 0.00 C ATOM 346 CG LYS A 23 -8.101 4.573 0.897 1.00 0.00 C ATOM 347 CD LYS A 23 -9.523 4.451 0.349 1.00 0.00 C ATOM 348 CE LYS A 23 -9.541 3.742 -1.010 1.00 0.00 C ATOM 349 NZ LYS A 23 -10.911 3.340 -1.412 1.00 0.00 N ATOM 0 H LYS A 23 -5.173 7.280 -0.274 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.637 4.893 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.464 6.640 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.554 5.871 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.581 3.630 0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.155 4.717 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.141 3.899 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.962 5.444 0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.120 4.402 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.903 2.859 -0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.856 2.592 -2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.426 2.983 -0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.413 4.162 -1.804 1.00 0.00 H new ATOM 363 N VAL A 24 -4.824 3.474 -0.551 1.00 0.00 N ATOM 364 CA VAL A 24 -4.375 2.613 -1.598 1.00 0.00 C ATOM 365 C VAL A 24 -5.243 1.402 -1.570 1.00 0.00 C ATOM 366 O VAL A 24 -5.519 0.861 -0.527 1.00 0.00 O ATOM 367 CB VAL A 24 -2.876 2.217 -1.437 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.360 1.460 -2.648 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.002 3.431 -1.128 1.00 0.00 C ATOM 0 H VAL A 24 -4.630 3.137 0.392 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.447 3.131 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.815 1.543 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.312 1.202 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.942 0.548 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.455 2.085 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.964 3.115 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.081 4.153 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.336 3.893 -0.199 1.00 0.00 H new ATOM 379 N GLU A 25 -5.730 1.026 -2.677 1.00 0.00 N ATOM 380 CA GLU A 25 -6.608 -0.063 -2.732 1.00 0.00 C ATOM 381 C GLU A 25 -5.890 -1.203 -3.391 1.00 0.00 C ATOM 382 O GLU A 25 -5.505 -1.120 -4.561 1.00 0.00 O ATOM 383 CB GLU A 25 -7.873 0.360 -3.457 1.00 0.00 C ATOM 384 CG GLU A 25 -9.075 -0.520 -3.215 1.00 0.00 C ATOM 385 CD GLU A 25 -10.338 0.189 -3.647 1.00 0.00 C ATOM 386 OE1 GLU A 25 -10.663 1.255 -3.031 1.00 0.00 O ATOM 387 OE2 GLU A 25 -10.996 -0.274 -4.582 1.00 0.00 O ATOM 0 H GLU A 25 -5.531 1.465 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.916 -0.398 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.122 1.378 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.669 0.383 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.967 -1.454 -3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.138 -0.779 -2.158 1.00 0.00 H new ATOM 394 N LEU A 26 -5.602 -2.214 -2.596 1.00 0.00 N ATOM 395 CA LEU A 26 -4.915 -3.395 -3.060 1.00 0.00 C ATOM 396 C LEU A 26 -5.684 -4.031 -4.175 1.00 0.00 C ATOM 397 O LEU A 26 -6.909 -4.087 -4.138 1.00 0.00 O ATOM 398 CB LEU A 26 -4.759 -4.434 -1.945 1.00 0.00 C ATOM 399 CG LEU A 26 -3.935 -4.039 -0.722 1.00 0.00 C ATOM 400 CD1 LEU A 26 -3.929 -5.167 0.297 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.518 -3.703 -1.127 1.00 0.00 C ATOM 0 H LEU A 26 -5.841 -2.236 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.928 -3.079 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.756 -4.712 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.310 -5.327 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.390 -3.157 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.338 -4.871 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.951 -5.380 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.494 -6.060 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.944 -3.423 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.059 -4.572 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.528 -2.871 -1.831 1.00 0.00 H new ATOM 413 N GLU A 27 -4.964 -4.584 -5.107 1.00 0.00 N ATOM 414 CA GLU A 27 -5.549 -5.267 -6.255 1.00 0.00 C ATOM 415 C GLU A 27 -6.254 -6.573 -5.837 1.00 0.00 C ATOM 416 O GLU A 27 -6.919 -7.225 -6.624 1.00 0.00 O ATOM 417 CB GLU A 27 -4.484 -5.449 -7.349 1.00 0.00 C ATOM 418 CG GLU A 27 -3.179 -6.072 -6.871 1.00 0.00 C ATOM 419 CD GLU A 27 -1.993 -5.551 -7.655 1.00 0.00 C ATOM 420 OE1 GLU A 27 -1.558 -4.411 -7.378 1.00 0.00 O ATOM 421 OE2 GLU A 27 -1.480 -6.237 -8.552 1.00 0.00 O ATOM 0 H GLU A 27 -3.944 -4.581 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.338 -4.651 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.899 -6.072 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.266 -4.476 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.039 -5.857 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.234 -7.156 -6.971 1.00 0.00 H new ATOM 428 N ASN A 28 -6.110 -6.907 -4.557 1.00 0.00 N ATOM 429 CA ASN A 28 -6.766 -8.056 -3.954 1.00 0.00 C ATOM 430 C ASN A 28 -8.138 -7.609 -3.357 1.00 0.00 C ATOM 431 O ASN A 28 -8.844 -8.389 -2.737 1.00 0.00 O ATOM 432 CB ASN A 28 -5.868 -8.642 -2.841 1.00 0.00 C ATOM 433 CG ASN A 28 -6.209 -10.086 -2.456 1.00 0.00 C ATOM 434 OD1 ASN A 28 -5.654 -11.019 -3.004 1.00 0.00 O ATOM 435 ND2 ASN A 28 -7.117 -10.276 -1.531 1.00 0.00 N ATOM 0 H ASN A 28 -5.528 -6.380 -3.906 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.935 -8.823 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.829 -8.600 -3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.949 -8.012 -1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.373 -11.224 -1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.568 -9.476 -1.087 1.00 0.00 H new ATOM 442 N GLY A 29 -8.467 -6.318 -3.500 1.00 0.00 N ATOM 443 CA GLY A 29 -9.785 -5.823 -3.080 1.00 0.00 C ATOM 444 C GLY A 29 -9.834 -5.184 -1.688 1.00 0.00 C ATOM 445 O GLY A 29 -10.895 -4.812 -1.214 1.00 0.00 O ATOM 0 H GLY A 29 -7.851 -5.608 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.129 -5.090 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.491 -6.653 -3.105 1.00 0.00 H new ATOM 449 N HIS A 30 -8.717 -5.101 -1.009 1.00 0.00 N ATOM 450 CA HIS A 30 -8.696 -4.474 0.308 1.00 0.00 C ATOM 451 C HIS A 30 -8.263 -3.041 0.128 1.00 0.00 C ATOM 452 O HIS A 30 -7.260 -2.796 -0.520 1.00 0.00 O ATOM 453 CB HIS A 30 -7.648 -5.124 1.184 1.00 0.00 C ATOM 454 CG HIS A 30 -7.812 -4.965 2.700 1.00 0.00 C ATOM 455 ND1 HIS A 30 -7.884 -3.748 3.352 1.00 0.00 N ATOM 456 CD2 HIS A 30 -7.878 -5.900 3.687 1.00 0.00 C ATOM 457 CE1 HIS A 30 -7.980 -3.941 4.648 1.00 0.00 C ATOM 458 NE2 HIS A 30 -7.978 -5.228 4.887 1.00 0.00 N ATOM 0 H HIS A 30 -7.816 -5.452 -1.333 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.683 -4.567 0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.629 -6.190 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.675 -4.720 0.904 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -7.865 -2.836 2.895 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.856 -6.972 3.555 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.049 -3.164 5.395 1.00 0.00 H new ATOM 467 N GLU A 31 -8.924 -2.134 0.739 1.00 0.00 N ATOM 468 CA GLU A 31 -8.465 -0.780 0.701 1.00 0.00 C ATOM 469 C GLU A 31 -7.684 -0.567 1.947 1.00 0.00 C ATOM 470 O GLU A 31 -8.033 -1.100 3.010 1.00 0.00 O ATOM 471 CB GLU A 31 -9.572 0.264 0.560 1.00 0.00 C ATOM 472 CG GLU A 31 -10.580 0.322 1.688 1.00 0.00 C ATOM 473 CD GLU A 31 -11.376 1.607 1.639 1.00 0.00 C ATOM 474 OE1 GLU A 31 -11.960 1.923 0.575 1.00 0.00 O ATOM 475 OE2 GLU A 31 -11.342 2.348 2.623 1.00 0.00 O ATOM 0 H GLU A 31 -9.780 -2.291 1.271 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.862 -0.640 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.108 1.246 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.108 0.072 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.255 -0.531 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.064 0.246 2.645 1.00 0.00 H new ATOM 482 N ILE A 32 -6.599 0.074 1.825 1.00 0.00 N ATOM 483 CA ILE A 32 -5.724 0.258 2.918 1.00 0.00 C ATOM 484 C ILE A 32 -5.302 1.687 3.002 1.00 0.00 C ATOM 485 O ILE A 32 -5.260 2.408 2.005 1.00 0.00 O ATOM 486 CB ILE A 32 -4.455 -0.637 2.796 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.761 -0.382 1.460 1.00 0.00 C ATOM 488 CG2 ILE A 32 -4.827 -2.105 2.923 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.411 -1.023 1.318 1.00 0.00 C ATOM 0 H ILE A 32 -6.280 0.496 0.953 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.265 -0.028 3.820 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.769 -0.383 3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.405 -0.743 0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.653 0.694 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.929 -2.717 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.292 -2.280 3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.527 -2.373 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.997 -0.786 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.745 -0.645 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.509 -2.104 1.419 1.00 0.00 H new ATOM 501 N LEU A 33 -5.008 2.096 4.173 1.00 0.00 N ATOM 502 CA LEU A 33 -4.484 3.393 4.378 1.00 0.00 C ATOM 503 C LEU A 33 -3.026 3.148 4.581 1.00 0.00 C ATOM 504 O LEU A 33 -2.639 2.360 5.477 1.00 0.00 O ATOM 505 CB LEU A 33 -5.122 3.989 5.629 1.00 0.00 C ATOM 506 CG LEU A 33 -6.656 3.912 5.666 1.00 0.00 C ATOM 507 CD1 LEU A 33 -7.193 4.325 7.020 1.00 0.00 C ATOM 508 CD2 LEU A 33 -7.273 4.773 4.583 1.00 0.00 C ATOM 0 H LEU A 33 -5.123 1.542 5.022 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.674 4.089 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.725 3.474 6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.822 5.034 5.711 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.932 2.873 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.281 4.260 7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.793 3.662 7.787 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.892 5.350 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.359 4.699 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.973 5.811 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.931 4.430 3.607 1.00 0.00 H new ATOM 520 N ALA A 34 -2.229 3.772 3.798 1.00 0.00 N ATOM 521 CA ALA A 34 -0.830 3.478 3.793 1.00 0.00 C ATOM 522 C ALA A 34 -0.017 4.738 3.784 1.00 0.00 C ATOM 523 O ALA A 34 -0.514 5.792 3.408 1.00 0.00 O ATOM 524 CB ALA A 34 -0.509 2.603 2.606 1.00 0.00 C ATOM 0 H ALA A 34 -2.516 4.499 3.142 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.571 2.939 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.557 2.377 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.077 1.675 2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.775 3.125 1.687 1.00 0.00 H new ATOM 530 N HIS A 35 1.215 4.632 4.207 1.00 0.00 N ATOM 531 CA HIS A 35 2.074 5.787 4.336 1.00 0.00 C ATOM 532 C HIS A 35 3.204 5.700 3.338 1.00 0.00 C ATOM 533 O HIS A 35 3.783 4.640 3.159 1.00 0.00 O ATOM 534 CB HIS A 35 2.665 5.818 5.746 1.00 0.00 C ATOM 535 CG HIS A 35 3.132 7.173 6.181 1.00 0.00 C ATOM 536 ND1 HIS A 35 2.282 8.112 6.712 1.00 0.00 N ATOM 537 CD2 HIS A 35 4.357 7.739 6.183 1.00 0.00 C ATOM 538 CE1 HIS A 35 2.955 9.190 7.022 1.00 0.00 C ATOM 539 NE2 HIS A 35 4.220 8.995 6.713 1.00 0.00 N ATOM 0 H HIS A 35 1.653 3.749 4.471 1.00 0.00 H new ATOM 0 HA HIS A 35 1.491 6.689 4.151 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.915 5.460 6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.504 5.124 5.793 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.278 7.988 6.845 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.273 7.287 5.833 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.543 10.088 7.458 1.00 0.00 H new ATOM 548 N VAL A 36 3.523 6.786 2.704 1.00 0.00 N ATOM 549 CA VAL A 36 4.648 6.808 1.786 1.00 0.00 C ATOM 550 C VAL A 36 5.953 7.035 2.527 1.00 0.00 C ATOM 551 O VAL A 36 5.979 7.686 3.580 1.00 0.00 O ATOM 552 CB VAL A 36 4.495 7.829 0.638 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.360 7.420 -0.269 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.282 9.246 1.166 1.00 0.00 C ATOM 0 H VAL A 36 3.029 7.673 2.797 1.00 0.00 H new ATOM 0 HA VAL A 36 4.665 5.823 1.320 1.00 0.00 H new ATOM 0 HB VAL A 36 5.423 7.834 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.259 8.146 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.567 6.436 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.433 7.382 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.179 9.935 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.378 9.276 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.137 9.540 1.774 1.00 0.00 H new ATOM 564 N SER A 37 7.019 6.441 2.019 1.00 0.00 N ATOM 565 CA SER A 37 8.333 6.579 2.615 1.00 0.00 C ATOM 566 C SER A 37 8.789 8.030 2.543 1.00 0.00 C ATOM 567 O SER A 37 8.308 8.801 1.689 1.00 0.00 O ATOM 568 CB SER A 37 9.352 5.716 1.853 1.00 0.00 C ATOM 569 OG SER A 37 9.557 6.218 0.513 1.00 0.00 O ATOM 0 H SER A 37 6.997 5.853 1.186 1.00 0.00 H new ATOM 0 HA SER A 37 8.272 6.256 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.300 5.707 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.000 4.685 1.809 1.00 0.00 H new ATOM 0 HG SER A 37 9.116 7.088 0.418 1.00 0.00 H new ATOM 575 N GLY A 38 9.746 8.380 3.391 1.00 0.00 N ATOM 576 CA GLY A 38 10.305 9.716 3.411 1.00 0.00 C ATOM 577 C GLY A 38 10.862 10.150 2.063 1.00 0.00 C ATOM 578 O GLY A 38 10.918 11.331 1.784 1.00 0.00 O ATOM 0 H GLY A 38 10.152 7.746 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.535 10.421 3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.099 9.760 4.157 1.00 0.00 H new ATOM 582 N LYS A 39 11.177 9.173 1.185 1.00 0.00 N ATOM 583 CA LYS A 39 11.754 9.471 -0.125 1.00 0.00 C ATOM 584 C LYS A 39 10.732 10.199 -0.987 1.00 0.00 C ATOM 585 O LYS A 39 11.071 11.044 -1.794 1.00 0.00 O ATOM 586 CB LYS A 39 12.172 8.175 -0.843 1.00 0.00 C ATOM 587 CG LYS A 39 13.185 7.318 -0.088 1.00 0.00 C ATOM 588 CD LYS A 39 13.644 6.071 -0.888 1.00 0.00 C ATOM 589 CE LYS A 39 12.587 4.938 -1.007 1.00 0.00 C ATOM 590 NZ LYS A 39 11.365 5.312 -1.776 1.00 0.00 N ATOM 0 H LYS A 39 11.039 8.179 1.367 1.00 0.00 H new ATOM 0 HA LYS A 39 12.632 10.098 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.280 7.577 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.591 8.435 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.056 7.926 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.747 6.995 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.929 6.387 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.538 5.664 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.051 4.074 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.290 4.628 -0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.995 4.474 -2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.643 5.678 -1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.605 6.045 -2.473 1.00 0.00 H new ATOM 604 N ILE A 40 9.487 9.866 -0.765 1.00 0.00 N ATOM 605 CA ILE A 40 8.382 10.384 -1.536 1.00 0.00 C ATOM 606 C ILE A 40 7.840 11.661 -0.890 1.00 0.00 C ATOM 607 O ILE A 40 7.237 12.498 -1.540 1.00 0.00 O ATOM 608 CB ILE A 40 7.285 9.285 -1.645 1.00 0.00 C ATOM 609 CG1 ILE A 40 7.855 8.073 -2.403 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.027 9.796 -2.331 1.00 0.00 C ATOM 611 CD1 ILE A 40 6.935 6.871 -2.449 1.00 0.00 C ATOM 0 H ILE A 40 9.206 9.216 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 40 8.715 10.645 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 40 6.998 8.991 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.088 8.376 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.795 7.778 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.290 8.994 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.616 10.630 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.273 10.130 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.417 6.065 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.721 6.537 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.003 7.145 -2.945 1.00 0.00 H new ATOM 623 N ARG A 41 8.093 11.800 0.390 1.00 0.00 N ATOM 624 CA ARG A 41 7.638 12.955 1.127 1.00 0.00 C ATOM 625 C ARG A 41 8.603 14.119 0.899 1.00 0.00 C ATOM 626 O ARG A 41 8.179 15.264 0.726 1.00 0.00 O ATOM 627 CB ARG A 41 7.522 12.587 2.642 1.00 0.00 C ATOM 628 CG ARG A 41 6.797 13.601 3.584 1.00 0.00 C ATOM 629 CD ARG A 41 7.722 14.633 4.285 1.00 0.00 C ATOM 630 NE ARG A 41 8.280 15.648 3.385 1.00 0.00 N ATOM 631 CZ ARG A 41 9.207 16.564 3.697 1.00 0.00 C ATOM 632 NH1 ARG A 41 9.695 16.644 4.943 1.00 0.00 N ATOM 633 NH2 ARG A 41 9.647 17.398 2.748 1.00 0.00 N ATOM 0 H ARG A 41 8.615 11.123 0.946 1.00 0.00 H new ATOM 0 HA ARG A 41 6.653 13.265 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.003 11.631 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.530 12.433 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.051 14.143 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.260 13.041 4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.159 15.132 5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.542 14.101 4.767 1.00 0.00 H new ATOM 0 HE ARG A 41 7.928 15.658 2.428 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.361 16.004 5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.400 17.345 5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.277 17.332 1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.352 18.100 2.973 1.00 0.00 H new ATOM 647 N MET A 42 9.901 13.839 0.962 1.00 0.00 N ATOM 648 CA MET A 42 10.922 14.890 0.857 1.00 0.00 C ATOM 649 C MET A 42 11.122 15.395 -0.564 1.00 0.00 C ATOM 650 O MET A 42 11.577 16.513 -0.760 1.00 0.00 O ATOM 651 CB MET A 42 12.272 14.461 1.467 1.00 0.00 C ATOM 652 CG MET A 42 13.026 13.387 0.691 1.00 0.00 C ATOM 653 SD MET A 42 14.574 12.929 1.491 1.00 0.00 S ATOM 654 CE MET A 42 15.223 11.735 0.329 1.00 0.00 C ATOM 0 H MET A 42 10.276 12.898 1.085 1.00 0.00 H new ATOM 0 HA MET A 42 10.530 15.721 1.444 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.910 15.341 1.551 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.095 14.098 2.479 1.00 0.00 H new ATOM 0 HG2 MET A 42 12.396 12.503 0.591 1.00 0.00 H new ATOM 0 HG3 MET A 42 13.233 13.747 -0.317 1.00 0.00 H new ATOM 0 HE1 MET A 42 16.310 11.704 0.408 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.815 10.750 0.554 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.940 12.022 -0.684 1.00 0.00 H new ATOM 664 N ASN A 43 10.778 14.589 -1.535 1.00 0.00 N ATOM 665 CA ASN A 43 11.023 14.942 -2.921 1.00 0.00 C ATOM 666 C ASN A 43 9.673 15.097 -3.611 1.00 0.00 C ATOM 667 O ASN A 43 8.640 14.849 -3.011 1.00 0.00 O ATOM 668 CB ASN A 43 11.847 13.827 -3.597 1.00 0.00 C ATOM 669 CG ASN A 43 12.629 14.256 -4.848 1.00 0.00 C ATOM 670 OD1 ASN A 43 12.232 15.136 -5.579 1.00 0.00 O ATOM 671 ND2 ASN A 43 13.748 13.619 -5.089 1.00 0.00 N ATOM 0 H ASN A 43 10.328 13.684 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 43 11.584 15.874 -2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.551 13.426 -2.868 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.173 13.015 -3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.306 13.861 -5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.061 12.881 -4.458 1.00 0.00 H new ATOM 761 N LEU A 48 0.358 9.918 -6.844 1.00 0.00 N ATOM 762 CA LEU A 48 -0.830 10.507 -7.392 1.00 0.00 C ATOM 763 C LEU A 48 -1.848 9.386 -7.619 1.00 0.00 C ATOM 764 O LEU A 48 -1.447 8.281 -8.006 1.00 0.00 O ATOM 765 CB LEU A 48 -0.485 11.173 -8.734 1.00 0.00 C ATOM 766 CG LEU A 48 -1.600 11.975 -9.407 1.00 0.00 C ATOM 767 CD1 LEU A 48 -1.899 13.255 -8.630 1.00 0.00 C ATOM 768 CD2 LEU A 48 -1.247 12.285 -10.852 1.00 0.00 C ATOM 0 HA LEU A 48 -1.240 11.257 -6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.365 11.837 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.159 10.396 -9.426 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.503 11.364 -9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.695 13.806 -9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.214 13.001 -7.618 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.002 13.872 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.055 12.856 -11.310 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.327 12.868 -10.885 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.106 11.353 -11.400 1.00 0.00 H new ATOM 780 N PRO A 49 -3.147 9.607 -7.293 1.00 0.00 N ATOM 781 CA PRO A 49 -4.216 8.638 -7.570 1.00 0.00 C ATOM 782 C PRO A 49 -4.157 8.120 -9.007 1.00 0.00 C ATOM 783 O PRO A 49 -4.005 8.891 -9.959 1.00 0.00 O ATOM 784 CB PRO A 49 -5.483 9.453 -7.357 1.00 0.00 C ATOM 785 CG PRO A 49 -5.106 10.421 -6.307 1.00 0.00 C ATOM 786 CD PRO A 49 -3.676 10.796 -6.602 1.00 0.00 C ATOM 0 HA PRO A 49 -4.147 7.753 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.794 9.956 -8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.315 8.824 -7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.754 11.297 -6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.200 9.980 -5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.615 11.686 -7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.120 11.011 -5.689 1.00 0.00 H new ATOM 794 N GLY A 50 -4.256 6.826 -9.145 1.00 0.00 N ATOM 795 CA GLY A 50 -4.142 6.205 -10.431 1.00 0.00 C ATOM 796 C GLY A 50 -2.795 5.543 -10.586 1.00 0.00 C ATOM 797 O GLY A 50 -2.505 4.893 -11.611 1.00 0.00 O ATOM 0 H GLY A 50 -4.417 6.178 -8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.933 5.465 -10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.278 6.951 -11.214 1.00 0.00 H new ATOM 801 N ASP A 51 -1.923 5.770 -9.628 1.00 0.00 N ATOM 802 CA ASP A 51 -0.646 5.112 -9.639 1.00 0.00 C ATOM 803 C ASP A 51 -0.726 3.738 -8.993 1.00 0.00 C ATOM 804 O ASP A 51 -1.622 3.471 -8.171 1.00 0.00 O ATOM 805 CB ASP A 51 0.469 5.962 -9.060 1.00 0.00 C ATOM 806 CG ASP A 51 1.672 5.958 -9.977 1.00 0.00 C ATOM 807 OD1 ASP A 51 1.583 6.531 -11.087 1.00 0.00 O ATOM 808 OD2 ASP A 51 2.694 5.382 -9.639 1.00 0.00 O ATOM 0 H ASP A 51 -2.077 6.400 -8.841 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.381 4.965 -10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.118 6.984 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.752 5.581 -8.079 1.00 0.00 H new ATOM 813 N LYS A 52 0.202 2.894 -9.345 1.00 0.00 N ATOM 814 CA LYS A 52 0.234 1.513 -8.912 1.00 0.00 C ATOM 815 C LYS A 52 1.459 1.444 -8.020 1.00 0.00 C ATOM 816 O LYS A 52 2.540 1.843 -8.447 1.00 0.00 O ATOM 817 CB LYS A 52 0.413 0.674 -10.193 1.00 0.00 C ATOM 818 CG LYS A 52 -0.180 -0.745 -10.257 1.00 0.00 C ATOM 819 CD LYS A 52 0.482 -1.777 -9.354 1.00 0.00 C ATOM 820 CE LYS A 52 0.088 -3.178 -9.840 1.00 0.00 C ATOM 821 NZ LYS A 52 0.542 -4.259 -8.959 1.00 0.00 N ATOM 0 H LYS A 52 0.979 3.147 -9.956 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.649 1.156 -8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.013 1.244 -11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.483 0.590 -10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.238 -0.689 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.120 -1.098 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.565 -1.660 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.167 -1.633 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.997 -3.229 -9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.501 -3.336 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.424 -5.173 -9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.546 -4.118 -8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.021 -4.254 -8.085 1.00 0.00 H new ATOM 835 N VAL A 53 1.313 0.994 -6.804 1.00 0.00 N ATOM 836 CA VAL A 53 2.423 1.085 -5.869 1.00 0.00 C ATOM 837 C VAL A 53 2.667 -0.181 -5.095 1.00 0.00 C ATOM 838 O VAL A 53 1.749 -0.987 -4.886 1.00 0.00 O ATOM 839 CB VAL A 53 2.270 2.265 -4.867 1.00 0.00 C ATOM 840 CG1 VAL A 53 2.353 3.608 -5.576 1.00 0.00 C ATOM 841 CG2 VAL A 53 0.958 2.158 -4.102 1.00 0.00 C ATOM 0 H VAL A 53 0.463 0.569 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 53 3.288 1.265 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 53 3.096 2.202 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.242 4.411 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.319 3.698 -6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.557 3.678 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.873 2.994 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.124 2.183 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.936 1.221 -3.546 1.00 0.00 H new ATOM 851 N THR A 54 3.889 -0.310 -4.636 1.00 0.00 N ATOM 852 CA THR A 54 4.336 -1.431 -3.875 1.00 0.00 C ATOM 853 C THR A 54 4.241 -1.075 -2.382 1.00 0.00 C ATOM 854 O THR A 54 4.926 -0.129 -1.892 1.00 0.00 O ATOM 855 CB THR A 54 5.800 -1.726 -4.232 1.00 0.00 C ATOM 856 OG1 THR A 54 5.978 -1.588 -5.658 1.00 0.00 O ATOM 857 CG2 THR A 54 6.189 -3.139 -3.812 1.00 0.00 C ATOM 0 H THR A 54 4.615 0.389 -4.792 1.00 0.00 H new ATOM 0 HA THR A 54 3.723 -2.306 -4.092 1.00 0.00 H new ATOM 0 HB THR A 54 6.437 -1.018 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.162 -1.875 -6.119 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.230 -3.323 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.063 -3.246 -2.735 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.552 -3.859 -4.325 1.00 0.00 H new ATOM 865 N VAL A 55 3.401 -1.798 -1.673 1.00 0.00 N ATOM 866 CA VAL A 55 3.153 -1.541 -0.288 1.00 0.00 C ATOM 867 C VAL A 55 3.674 -2.689 0.589 1.00 0.00 C ATOM 868 O VAL A 55 3.438 -3.874 0.323 1.00 0.00 O ATOM 869 CB VAL A 55 1.629 -1.262 -0.005 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.743 -2.478 -0.248 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.420 -0.735 1.388 1.00 0.00 C ATOM 0 H VAL A 55 2.872 -2.583 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 55 3.702 -0.636 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 55 1.327 -0.499 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.295 -2.221 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.833 -2.792 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.056 -3.293 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.358 -0.552 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.779 -1.467 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.972 0.197 1.511 1.00 0.00 H new ATOM 881 N GLU A 56 4.404 -2.327 1.591 1.00 0.00 N ATOM 882 CA GLU A 56 4.925 -3.259 2.550 1.00 0.00 C ATOM 883 C GLU A 56 3.978 -3.282 3.728 1.00 0.00 C ATOM 884 O GLU A 56 3.661 -2.229 4.289 1.00 0.00 O ATOM 885 CB GLU A 56 6.292 -2.787 2.995 1.00 0.00 C ATOM 886 CG GLU A 56 7.273 -2.633 1.856 1.00 0.00 C ATOM 887 CD GLU A 56 8.508 -1.918 2.281 1.00 0.00 C ATOM 888 OE1 GLU A 56 8.502 -0.680 2.289 1.00 0.00 O ATOM 889 OE2 GLU A 56 9.503 -2.567 2.627 1.00 0.00 O ATOM 0 H GLU A 56 4.663 -1.358 1.775 1.00 0.00 H new ATOM 0 HA GLU A 56 5.016 -4.257 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.189 -1.831 3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.695 -3.495 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.538 -3.617 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.800 -2.087 1.040 1.00 0.00 H new ATOM 896 N MET A 57 3.517 -4.447 4.078 1.00 0.00 N ATOM 897 CA MET A 57 2.552 -4.621 5.151 1.00 0.00 C ATOM 898 C MET A 57 2.808 -5.884 5.922 1.00 0.00 C ATOM 899 O MET A 57 3.401 -6.829 5.401 1.00 0.00 O ATOM 900 CB MET A 57 1.129 -4.621 4.613 1.00 0.00 C ATOM 901 CG MET A 57 0.934 -5.404 3.338 1.00 0.00 C ATOM 902 SD MET A 57 -0.794 -5.552 2.885 1.00 0.00 S ATOM 903 CE MET A 57 -1.338 -3.869 3.091 1.00 0.00 C ATOM 0 H MET A 57 3.796 -5.319 3.629 1.00 0.00 H new ATOM 0 HA MET A 57 2.670 -3.776 5.829 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.467 -5.028 5.377 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.821 -3.590 4.440 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.479 -4.917 2.529 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.362 -6.399 3.457 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.303 -3.736 2.602 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.435 -3.646 4.153 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.609 -3.194 2.643 1.00 0.00 H new ATOM 913 N SER A 58 2.385 -5.905 7.150 1.00 0.00 N ATOM 914 CA SER A 58 2.593 -7.040 7.988 1.00 0.00 C ATOM 915 C SER A 58 1.595 -8.143 7.611 1.00 0.00 C ATOM 916 O SER A 58 0.434 -7.860 7.302 1.00 0.00 O ATOM 917 CB SER A 58 2.429 -6.634 9.450 1.00 0.00 C ATOM 918 OG SER A 58 3.252 -5.522 9.755 1.00 0.00 O ATOM 0 H SER A 58 1.887 -5.135 7.596 1.00 0.00 H new ATOM 0 HA SER A 58 3.604 -7.424 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.386 -6.387 9.649 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.687 -7.472 10.097 1.00 0.00 H new ATOM 0 HG SER A 58 3.132 -5.275 10.696 1.00 0.00 H new ATOM 924 N PRO A 59 2.030 -9.425 7.651 1.00 0.00 N ATOM 925 CA PRO A 59 1.179 -10.581 7.290 1.00 0.00 C ATOM 926 C PRO A 59 0.000 -10.750 8.246 1.00 0.00 C ATOM 927 O PRO A 59 -0.926 -11.502 7.986 1.00 0.00 O ATOM 928 CB PRO A 59 2.130 -11.784 7.407 1.00 0.00 C ATOM 929 CG PRO A 59 3.242 -11.323 8.286 1.00 0.00 C ATOM 930 CD PRO A 59 3.391 -9.850 8.044 1.00 0.00 C ATOM 0 HA PRO A 59 0.738 -10.464 6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.621 -12.647 7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.502 -12.088 6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.018 -11.524 9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.167 -11.851 8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.732 -9.329 8.939 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.118 -9.644 7.259 1.00 0.00 H new ATOM 938 N TYR A 60 0.069 -10.052 9.350 1.00 0.00 N ATOM 939 CA TYR A 60 -0.932 -10.126 10.378 1.00 0.00 C ATOM 940 C TYR A 60 -2.083 -9.133 10.126 1.00 0.00 C ATOM 941 O TYR A 60 -3.159 -9.278 10.701 1.00 0.00 O ATOM 942 CB TYR A 60 -0.262 -9.864 11.748 1.00 0.00 C ATOM 943 CG TYR A 60 -1.184 -9.939 12.954 1.00 0.00 C ATOM 944 CD1 TYR A 60 -1.585 -11.165 13.472 1.00 0.00 C ATOM 945 CD2 TYR A 60 -1.645 -8.783 13.577 1.00 0.00 C ATOM 946 CE1 TYR A 60 -2.418 -11.235 14.573 1.00 0.00 C ATOM 947 CE2 TYR A 60 -2.478 -8.846 14.676 1.00 0.00 C ATOM 948 CZ TYR A 60 -2.862 -10.074 15.170 1.00 0.00 C ATOM 949 OH TYR A 60 -3.691 -10.140 16.268 1.00 0.00 O ATOM 0 H TYR A 60 0.832 -9.409 9.561 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.373 -11.123 10.371 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.543 -10.586 11.883 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.197 -8.876 11.725 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.240 -12.077 13.007 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.345 -7.819 13.194 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.720 -12.195 14.964 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.827 -7.938 15.146 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.910 -9.233 16.567 1.00 0.00 H new ATOM 959 N ASP A 61 -1.884 -8.148 9.256 1.00 0.00 N ATOM 960 CA ASP A 61 -2.929 -7.139 9.094 1.00 0.00 C ATOM 961 C ASP A 61 -3.449 -6.989 7.662 1.00 0.00 C ATOM 962 O ASP A 61 -4.667 -7.126 7.430 1.00 0.00 O ATOM 963 CB ASP A 61 -2.524 -5.755 9.674 1.00 0.00 C ATOM 964 CG ASP A 61 -1.449 -5.027 8.907 1.00 0.00 C ATOM 965 OD1 ASP A 61 -0.259 -5.277 9.131 1.00 0.00 O ATOM 966 OD2 ASP A 61 -1.817 -4.199 8.051 1.00 0.00 O ATOM 0 H ASP A 61 -1.053 -8.026 8.677 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.759 -7.528 9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.411 -5.122 9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.185 -5.894 10.700 1.00 0.00 H new ATOM 971 N LEU A 62 -2.553 -6.657 6.715 1.00 0.00 N ATOM 972 CA LEU A 62 -2.923 -6.362 5.311 1.00 0.00 C ATOM 973 C LEU A 62 -3.943 -5.223 5.259 1.00 0.00 C ATOM 974 O LEU A 62 -4.784 -5.135 4.342 1.00 0.00 O ATOM 975 CB LEU A 62 -3.449 -7.604 4.547 1.00 0.00 C ATOM 976 CG LEU A 62 -2.396 -8.579 3.979 1.00 0.00 C ATOM 977 CD1 LEU A 62 -1.570 -9.233 5.072 1.00 0.00 C ATOM 978 CD2 LEU A 62 -3.069 -9.637 3.119 1.00 0.00 C ATOM 0 H LEU A 62 -1.552 -6.585 6.897 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.010 -6.053 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.100 -8.163 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.068 -7.255 3.720 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.711 -7.996 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.843 -9.910 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.047 -8.465 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.226 -9.794 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.315 -10.318 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.783 -10.196 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.591 -9.156 2.292 1.00 0.00 H new ATOM 990 N THR A 63 -3.850 -4.345 6.226 1.00 0.00 N ATOM 991 CA THR A 63 -4.714 -3.314 6.409 1.00 0.00 C ATOM 992 C THR A 63 -3.936 -1.947 6.494 1.00 0.00 C ATOM 993 O THR A 63 -4.467 -0.869 6.127 1.00 0.00 O ATOM 994 CB THR A 63 -5.432 -3.678 7.694 1.00 0.00 C ATOM 995 OG1 THR A 63 -6.466 -4.663 7.467 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.879 -2.504 8.442 1.00 0.00 C ATOM 0 H THR A 63 -3.107 -4.374 6.924 1.00 0.00 H new ATOM 0 HA THR A 63 -5.417 -3.173 5.588 1.00 0.00 H new ATOM 0 HB THR A 63 -4.705 -4.159 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.062 -5.554 7.406 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.386 -2.824 9.352 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.018 -1.890 8.704 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.567 -1.922 7.829 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.705 -2.002 6.946 1.00 0.00 N ATOM 1005 CA ARG A 64 -1.855 -0.857 7.061 1.00 0.00 C ATOM 1006 C ARG A 64 -0.599 -1.162 6.277 1.00 0.00 C ATOM 1007 O ARG A 64 -0.155 -2.287 6.265 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.497 -0.627 8.541 1.00 0.00 C ATOM 1009 CG ARG A 64 -0.746 0.672 8.824 1.00 0.00 C ATOM 1010 CD ARG A 64 -1.622 1.888 8.539 1.00 0.00 C ATOM 1011 NE ARG A 64 -2.816 1.928 9.416 1.00 0.00 N ATOM 1012 CZ ARG A 64 -4.098 1.818 9.001 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -4.374 1.618 7.713 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -5.099 1.899 9.891 1.00 0.00 N ATOM 0 H ARG A 64 -2.263 -2.870 7.250 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.347 0.038 6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.416 -0.634 9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.891 -1.464 8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.423 0.689 9.865 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.154 0.716 8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.038 2.797 8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.938 1.871 7.496 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.657 2.049 10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.616 1.547 7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.343 1.536 7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.892 2.043 10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.067 1.816 9.579 1.00 0.00 H new ATOM 1028 N GLY A 65 -0.046 -0.195 5.605 1.00 0.00 N ATOM 1029 CA GLY A 65 1.142 -0.476 4.866 1.00 0.00 C ATOM 1030 C GLY A 65 1.982 0.745 4.641 1.00 0.00 C ATOM 1031 O GLY A 65 1.603 1.861 5.044 1.00 0.00 O ATOM 0 H GLY A 65 -0.387 0.765 5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.729 -1.223 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.873 -0.910 3.903 1.00 0.00 H new ATOM 1035 N ARG A 66 3.106 0.547 4.014 1.00 0.00 N ATOM 1036 CA ARG A 66 4.021 1.607 3.684 1.00 0.00 C ATOM 1037 C ARG A 66 4.445 1.478 2.218 1.00 0.00 C ATOM 1038 O ARG A 66 4.734 0.385 1.759 1.00 0.00 O ATOM 1039 CB ARG A 66 5.260 1.497 4.546 1.00 0.00 C ATOM 1040 CG ARG A 66 6.237 2.625 4.334 1.00 0.00 C ATOM 1041 CD ARG A 66 7.649 2.136 4.446 1.00 0.00 C ATOM 1042 NE ARG A 66 7.947 1.501 5.753 1.00 0.00 N ATOM 1043 CZ ARG A 66 8.670 0.356 5.922 1.00 0.00 C ATOM 1044 NH1 ARG A 66 9.029 -0.382 4.873 1.00 0.00 N ATOM 1045 NH2 ARG A 66 8.977 -0.068 7.157 1.00 0.00 N ATOM 0 H ARG A 66 3.420 -0.375 3.711 1.00 0.00 H new ATOM 0 HA ARG A 66 3.529 2.565 3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.964 1.475 5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.758 0.550 4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.078 3.069 3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.060 3.409 5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.842 1.418 3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.330 2.973 4.293 1.00 0.00 H new ATOM 0 HE ARG A 66 7.583 1.956 6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.764 -0.093 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.569 -1.236 5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.670 0.465 7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.517 -0.924 7.283 1.00 0.00 H new ATOM 1059 N ILE A 67 4.465 2.580 1.504 1.00 0.00 N ATOM 1060 CA ILE A 67 4.891 2.595 0.115 1.00 0.00 C ATOM 1061 C ILE A 67 6.334 3.026 -0.013 1.00 0.00 C ATOM 1062 O ILE A 67 6.725 4.139 0.423 1.00 0.00 O ATOM 1063 CB ILE A 67 3.995 3.488 -0.806 1.00 0.00 C ATOM 1064 CG1 ILE A 67 2.657 2.830 -1.080 1.00 0.00 C ATOM 1065 CG2 ILE A 67 4.686 3.823 -2.124 1.00 0.00 C ATOM 1066 CD1 ILE A 67 1.726 2.786 0.090 1.00 0.00 C ATOM 0 H ILE A 67 4.188 3.493 1.865 1.00 0.00 H new ATOM 0 HA ILE A 67 4.783 1.566 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 67 3.825 4.419 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.167 3.362 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.833 1.811 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.028 4.444 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.611 4.363 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.913 2.902 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.796 2.298 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.189 2.227 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.513 3.802 0.424 1.00 0.00 H new ATOM 1078 N THR A 68 7.122 2.174 -0.580 1.00 0.00 N ATOM 1079 CA THR A 68 8.489 2.498 -0.844 1.00 0.00 C ATOM 1080 C THR A 68 8.809 2.590 -2.329 1.00 0.00 C ATOM 1081 O THR A 68 9.778 3.283 -2.717 1.00 0.00 O ATOM 1082 CB THR A 68 9.436 1.532 -0.139 1.00 0.00 C ATOM 1083 OG1 THR A 68 8.921 0.195 -0.228 1.00 0.00 O ATOM 1084 CG2 THR A 68 9.593 1.938 1.298 1.00 0.00 C ATOM 0 H THR A 68 6.841 1.238 -0.873 1.00 0.00 H new ATOM 0 HA THR A 68 8.645 3.496 -0.434 1.00 0.00 H new ATOM 0 HB THR A 68 10.413 1.563 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.509 -0.054 0.625 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.270 1.246 1.800 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.002 2.947 1.348 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.621 1.916 1.791 1.00 0.00 H new ATOM 1092 N TYR A 69 7.983 1.972 -3.156 1.00 0.00 N ATOM 1093 CA TYR A 69 8.239 1.892 -4.581 1.00 0.00 C ATOM 1094 C TYR A 69 6.917 1.963 -5.341 1.00 0.00 C ATOM 1095 O TYR A 69 5.852 1.809 -4.741 1.00 0.00 O ATOM 1096 CB TYR A 69 8.941 0.552 -4.869 1.00 0.00 C ATOM 1097 CG TYR A 69 9.474 0.375 -6.283 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.551 1.126 -6.736 1.00 0.00 C ATOM 1099 CD2 TYR A 69 8.900 -0.541 -7.160 1.00 0.00 C ATOM 1100 CE1 TYR A 69 11.040 0.973 -8.019 1.00 0.00 C ATOM 1101 CE2 TYR A 69 9.385 -0.700 -8.445 1.00 0.00 C ATOM 1102 CZ TYR A 69 10.455 0.060 -8.869 1.00 0.00 C ATOM 1103 OH TYR A 69 10.942 -0.093 -10.148 1.00 0.00 O ATOM 0 H TYR A 69 7.121 1.514 -2.859 1.00 0.00 H new ATOM 0 HA TYR A 69 8.871 2.720 -4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.771 0.441 -4.171 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.240 -0.256 -4.661 1.00 0.00 H new ATOM 0 HD1 TYR A 69 11.014 1.842 -6.074 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.062 -1.137 -6.831 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.878 1.567 -8.354 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.928 -1.415 -9.113 1.00 0.00 H new ATOM 0 HH TYR A 69 10.420 -0.777 -10.617 1.00 0.00 H new ATOM 1113 N ARG A 70 6.992 2.227 -6.630 1.00 0.00 N ATOM 1114 CA ARG A 70 5.827 2.227 -7.479 1.00 0.00 C ATOM 1115 C ARG A 70 6.111 1.380 -8.712 1.00 0.00 C ATOM 1116 O ARG A 70 7.046 1.668 -9.471 1.00 0.00 O ATOM 1117 CB ARG A 70 5.391 3.645 -7.894 1.00 0.00 C ATOM 1118 CG ARG A 70 6.413 4.420 -8.731 1.00 0.00 C ATOM 1119 CD ARG A 70 5.862 5.734 -9.258 1.00 0.00 C ATOM 1120 NE ARG A 70 5.792 6.804 -8.243 1.00 0.00 N ATOM 1121 CZ ARG A 70 4.986 7.872 -8.344 1.00 0.00 C ATOM 1122 NH1 ARG A 70 3.935 7.830 -9.150 1.00 0.00 N ATOM 1123 NH2 ARG A 70 5.174 8.935 -7.557 1.00 0.00 N ATOM 0 H ARG A 70 7.863 2.447 -7.114 1.00 0.00 H new ATOM 0 HA ARG A 70 5.000 1.804 -6.909 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.462 3.572 -8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.172 4.219 -6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.297 4.618 -8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.733 3.802 -9.570 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.486 6.072 -10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.864 5.563 -9.660 1.00 0.00 H new ATOM 0 HE ARG A 70 6.389 6.727 -7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.741 6.988 -9.691 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.320 8.640 -9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.933 8.937 -6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.559 9.744 -7.638 1.00 0.00 H new