USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 519 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 Single : A 11 GLN : amide:sc= -11.2! C(o=-11!,f=-14!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.41 K(o=-0.41,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc=-0.00971 (180deg=-0.167) USER MOD Single : A 25 ASN : amide:sc= -6.94! C(o=-6.9!,f=-8.3!) USER MOD Single : A 28 GLN : amide:sc= -0.185 K(o=-0.18,f=-1.3) USER MOD Single : A 32 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 42:sc= 0.455 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 51 HIS : no HE2:sc= -4.99! K(o=-5!,f=-3.4) USER MOD Single : A 58 ASN : amide:sc= -3.35! C(o=-3.4!,f=-5.9!) USER MOD Single : A 60 GLN : amide:sc= -0.0593 K(o=-0.059,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -66:sc= 0.966 USER MOD Single : A 69 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.9!) USER MOD Single : A 73 TYR OH : rot -100:sc= 0.584 USER MOD Single : A 74 SER OG : rot 44:sc= 1.1 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 7.124 -6.287 5.285 1.00 0.00 N ATOM 145 CA ASP A 10 6.023 -5.623 4.610 1.00 0.00 C ATOM 146 C ASP A 10 5.673 -4.336 5.360 1.00 0.00 C ATOM 147 O ASP A 10 6.353 -3.965 6.315 1.00 0.00 O ATOM 148 CB ASP A 10 4.777 -6.510 4.586 1.00 0.00 C ATOM 149 CG ASP A 10 4.655 -7.422 3.364 1.00 0.00 C ATOM 150 OD1 ASP A 10 5.283 -8.503 3.399 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.939 -7.018 2.422 1.00 0.00 O ATOM 0 HA ASP A 10 6.333 -5.410 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.772 -7.128 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.894 -5.872 4.634 1.00 0.00 H new ATOM 156 N GLN A 11 4.612 -3.690 4.898 1.00 0.00 N ATOM 157 CA GLN A 11 4.164 -2.453 5.513 1.00 0.00 C ATOM 158 C GLN A 11 2.825 -2.017 4.915 1.00 0.00 C ATOM 159 O GLN A 11 2.553 -2.273 3.743 1.00 0.00 O ATOM 160 CB GLN A 11 5.216 -1.352 5.363 1.00 0.00 C ATOM 161 CG GLN A 11 5.143 -0.360 6.525 1.00 0.00 C ATOM 162 CD GLN A 11 5.232 -1.085 7.870 1.00 0.00 C ATOM 163 OE1 GLN A 11 4.249 -1.280 8.566 1.00 0.00 O ATOM 164 NE2 GLN A 11 6.463 -1.472 8.195 1.00 0.00 N ATOM 0 H GLN A 11 4.050 -4.000 4.105 1.00 0.00 H new ATOM 0 HA GLN A 11 4.023 -2.631 6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.210 -1.797 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.064 -0.825 4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.955 0.363 6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.210 0.201 6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.242 -1.277 7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.628 -1.964 9.073 1.00 0.00 H new ATOM 173 N VAL A 12 2.025 -1.366 5.746 1.00 0.00 N ATOM 174 CA VAL A 12 0.722 -0.892 5.313 1.00 0.00 C ATOM 175 C VAL A 12 0.807 0.601 4.988 1.00 0.00 C ATOM 176 O VAL A 12 1.798 1.254 5.313 1.00 0.00 O ATOM 177 CB VAL A 12 -0.332 -1.212 6.376 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.700 -1.456 5.736 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.097 -2.408 7.228 1.00 0.00 C ATOM 0 H VAL A 12 2.254 -1.156 6.717 1.00 0.00 H new ATOM 0 HA VAL A 12 0.414 -1.406 4.402 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.420 -0.347 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.430 -1.681 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.012 -0.564 5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.634 -2.297 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.668 -2.615 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.227 -3.282 6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.039 -2.180 7.727 1.00 0.00 H new ATOM 189 N LEU A 13 -0.243 1.098 4.351 1.00 0.00 N ATOM 190 CA LEU A 13 -0.298 2.501 3.979 1.00 0.00 C ATOM 191 C LEU A 13 -1.760 2.927 3.830 1.00 0.00 C ATOM 192 O LEU A 13 -2.596 2.143 3.385 1.00 0.00 O ATOM 193 CB LEU A 13 0.549 2.757 2.731 1.00 0.00 C ATOM 194 CG LEU A 13 -0.167 2.589 1.389 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.510 3.948 0.775 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.655 1.720 0.435 1.00 0.00 C ATOM 0 H LEU A 13 -1.063 0.553 4.083 1.00 0.00 H new ATOM 0 HA LEU A 13 0.136 3.122 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.943 3.772 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.404 2.081 2.751 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.109 2.070 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.018 3.799 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.163 4.499 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.406 4.516 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.124 1.616 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.623 2.189 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.804 0.735 0.877 1.00 0.00 H new ATOM 208 N GLU A 14 -2.022 4.169 4.210 1.00 0.00 N ATOM 209 CA GLU A 14 -3.368 4.709 4.124 1.00 0.00 C ATOM 210 C GLU A 14 -3.525 5.544 2.852 1.00 0.00 C ATOM 211 O GLU A 14 -2.757 6.477 2.618 1.00 0.00 O ATOM 212 CB GLU A 14 -3.708 5.534 5.367 1.00 0.00 C ATOM 213 CG GLU A 14 -2.512 6.379 5.809 1.00 0.00 C ATOM 214 CD GLU A 14 -2.974 7.673 6.482 1.00 0.00 C ATOM 215 OE1 GLU A 14 -4.093 8.118 6.148 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.197 8.188 7.314 1.00 0.00 O ATOM 0 H GLU A 14 -1.325 4.817 4.578 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.070 3.877 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.558 6.183 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.008 4.870 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.893 5.806 6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.890 6.616 4.945 1.00 0.00 H new ATOM 223 N ILE A 15 -4.524 5.180 2.062 1.00 0.00 N ATOM 224 CA ILE A 15 -4.791 5.885 0.819 1.00 0.00 C ATOM 225 C ILE A 15 -6.145 6.591 0.919 1.00 0.00 C ATOM 226 O ILE A 15 -7.076 6.072 1.533 1.00 0.00 O ATOM 227 CB ILE A 15 -4.680 4.931 -0.371 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.348 4.179 -0.351 1.00 0.00 C ATOM 229 CG2 ILE A 15 -4.899 5.674 -1.692 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.491 2.792 -0.978 1.00 0.00 C ATOM 0 H ILE A 15 -5.159 4.406 2.258 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.041 6.658 0.649 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.471 4.186 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.595 4.751 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.996 4.083 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.815 4.973 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.892 6.124 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.146 6.455 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.529 2.279 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.226 2.214 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.819 2.892 -2.013 1.00 0.00 H new ATOM 242 N VAL A 16 -6.213 7.762 0.303 1.00 0.00 N ATOM 243 CA VAL A 16 -7.437 8.544 0.315 1.00 0.00 C ATOM 244 C VAL A 16 -7.742 9.027 -1.104 1.00 0.00 C ATOM 245 O VAL A 16 -7.197 10.036 -1.550 1.00 0.00 O ATOM 246 CB VAL A 16 -7.318 9.688 1.324 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.663 10.392 1.515 1.00 0.00 C ATOM 248 CG2 VAL A 16 -6.768 9.186 2.661 1.00 0.00 C ATOM 0 H VAL A 16 -5.440 8.188 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.279 7.931 0.638 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.612 10.415 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.551 11.201 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.999 10.800 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.399 9.677 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.694 10.019 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.438 8.429 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.780 8.752 2.508 1.00 0.00 H new ATOM 258 N PRO A 17 -8.633 8.266 -1.792 1.00 0.00 N ATOM 259 CA PRO A 17 -9.017 8.607 -3.152 1.00 0.00 C ATOM 260 C PRO A 17 -9.972 9.802 -3.169 1.00 0.00 C ATOM 261 O PRO A 17 -10.253 10.391 -2.127 1.00 0.00 O ATOM 262 CB PRO A 17 -9.641 7.339 -3.714 1.00 0.00 C ATOM 263 CG PRO A 17 -10.006 6.486 -2.510 1.00 0.00 C ATOM 264 CD PRO A 17 -9.299 7.064 -1.296 1.00 0.00 C ATOM 0 HA PRO A 17 -8.170 8.923 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.523 7.569 -4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.942 6.815 -4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.085 6.483 -2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.704 5.451 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.007 7.302 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.581 6.356 -0.881 1.00 0.00 H new ATOM 272 N SER A 18 -10.444 10.125 -4.365 1.00 0.00 N ATOM 273 CA SER A 18 -11.361 11.238 -4.531 1.00 0.00 C ATOM 274 C SER A 18 -12.022 11.171 -5.909 1.00 0.00 C ATOM 275 O SER A 18 -13.223 11.407 -6.038 1.00 0.00 O ATOM 276 CB SER A 18 -10.641 12.577 -4.354 1.00 0.00 C ATOM 277 OG SER A 18 -11.402 13.666 -4.870 1.00 0.00 O ATOM 0 H SER A 18 -10.208 9.635 -5.228 1.00 0.00 H new ATOM 0 HA SER A 18 -12.130 11.164 -3.762 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.441 12.744 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.675 12.539 -4.858 1.00 0.00 H new ATOM 0 HG SER A 18 -10.909 14.502 -4.736 1.00 0.00 H new ATOM 283 N ASN A 19 -11.210 10.846 -6.904 1.00 0.00 N ATOM 284 CA ASN A 19 -11.702 10.745 -8.268 1.00 0.00 C ATOM 285 C ASN A 19 -11.793 9.270 -8.664 1.00 0.00 C ATOM 286 O ASN A 19 -11.307 8.399 -7.943 1.00 0.00 O ATOM 287 CB ASN A 19 -10.754 11.438 -9.248 1.00 0.00 C ATOM 288 CG ASN A 19 -11.134 12.909 -9.432 1.00 0.00 C ATOM 289 OD1 ASN A 19 -12.105 13.248 -10.090 1.00 0.00 O ATOM 290 ND2 ASN A 19 -10.320 13.760 -8.816 1.00 0.00 N ATOM 0 H ASN A 19 -10.215 10.649 -6.793 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.680 11.225 -8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.730 11.366 -8.881 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.784 10.928 -10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.490 14.764 -8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.525 13.409 -8.282 1.00 0.00 H new ATOM 297 N GLU A 20 -12.421 9.034 -9.807 1.00 0.00 N ATOM 298 CA GLU A 20 -12.582 7.679 -10.306 1.00 0.00 C ATOM 299 C GLU A 20 -11.313 7.224 -11.029 1.00 0.00 C ATOM 300 O GLU A 20 -10.959 6.048 -10.988 1.00 0.00 O ATOM 301 CB GLU A 20 -13.803 7.575 -11.223 1.00 0.00 C ATOM 302 CG GLU A 20 -15.098 7.781 -10.438 1.00 0.00 C ATOM 303 CD GLU A 20 -16.018 8.778 -11.147 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.077 8.708 -12.393 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.640 9.588 -10.427 1.00 0.00 O ATOM 0 H GLU A 20 -12.824 9.758 -10.401 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.748 7.017 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.732 8.320 -12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.818 6.598 -11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.612 6.827 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.866 8.144 -9.436 1.00 0.00 H new ATOM 312 N GLU A 21 -10.663 8.182 -11.674 1.00 0.00 N ATOM 313 CA GLU A 21 -9.439 7.894 -12.404 1.00 0.00 C ATOM 314 C GLU A 21 -8.362 7.376 -11.451 1.00 0.00 C ATOM 315 O GLU A 21 -7.653 6.421 -11.768 1.00 0.00 O ATOM 316 CB GLU A 21 -8.952 9.129 -13.165 1.00 0.00 C ATOM 317 CG GLU A 21 -7.468 9.007 -13.515 1.00 0.00 C ATOM 318 CD GLU A 21 -7.136 9.801 -14.781 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.811 10.831 -14.997 1.00 0.00 O ATOM 320 OE2 GLU A 21 -6.215 9.361 -15.502 1.00 0.00 O ATOM 0 H GLU A 21 -10.960 9.157 -11.706 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.650 7.116 -13.138 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.536 9.252 -14.077 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.115 10.021 -12.560 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.864 9.371 -12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.210 7.958 -13.661 1.00 0.00 H new ATOM 327 N GLN A 22 -8.269 8.028 -10.301 1.00 0.00 N ATOM 328 CA GLN A 22 -7.289 7.645 -9.300 1.00 0.00 C ATOM 329 C GLN A 22 -7.629 6.270 -8.723 1.00 0.00 C ATOM 330 O GLN A 22 -6.743 5.439 -8.525 1.00 0.00 O ATOM 331 CB GLN A 22 -7.198 8.697 -8.192 1.00 0.00 C ATOM 332 CG GLN A 22 -6.278 9.848 -8.604 1.00 0.00 C ATOM 333 CD GLN A 22 -6.981 11.197 -8.439 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.456 11.799 -9.388 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.021 11.637 -7.185 1.00 0.00 N ATOM 0 H GLN A 22 -8.857 8.820 -10.041 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.312 7.584 -9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.193 9.083 -7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.823 8.236 -7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.372 9.829 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.970 9.719 -9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.604 11.083 -6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.469 12.528 -6.971 1.00 0.00 H new ATOM 344 N ILE A 23 -8.914 6.071 -8.469 1.00 0.00 N ATOM 345 CA ILE A 23 -9.382 4.810 -7.920 1.00 0.00 C ATOM 346 C ILE A 23 -9.283 3.723 -8.992 1.00 0.00 C ATOM 347 O ILE A 23 -8.956 2.576 -8.690 1.00 0.00 O ATOM 348 CB ILE A 23 -10.787 4.970 -7.333 1.00 0.00 C ATOM 349 CG1 ILE A 23 -10.729 5.581 -5.932 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.540 3.638 -7.346 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.135 5.873 -5.402 1.00 0.00 C ATOM 0 H ILE A 23 -9.646 6.762 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.748 4.497 -7.090 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.345 5.662 -7.964 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.216 4.898 -5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.147 6.502 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.535 3.778 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.628 3.280 -8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.994 2.906 -6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.065 6.307 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.637 6.575 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.706 4.946 -5.355 1.00 0.00 H new ATOM 363 N LYS A 24 -9.573 4.121 -10.222 1.00 0.00 N ATOM 364 CA LYS A 24 -9.521 3.196 -11.341 1.00 0.00 C ATOM 365 C LYS A 24 -8.076 2.735 -11.549 1.00 0.00 C ATOM 366 O LYS A 24 -7.834 1.707 -12.179 1.00 0.00 O ATOM 367 CB LYS A 24 -10.152 3.823 -12.585 1.00 0.00 C ATOM 368 CG LYS A 24 -9.576 3.207 -13.862 1.00 0.00 C ATOM 369 CD LYS A 24 -10.402 3.608 -15.085 1.00 0.00 C ATOM 370 CE LYS A 24 -11.643 2.723 -15.223 1.00 0.00 C ATOM 371 NZ LYS A 24 -11.267 1.375 -15.704 1.00 0.00 N ATOM 0 H LYS A 24 -9.845 5.073 -10.468 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.113 2.306 -11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.232 3.677 -12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.975 4.899 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.544 3.532 -13.993 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.559 2.121 -13.770 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.703 4.652 -14.998 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.791 3.526 -15.984 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.150 2.644 -14.261 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.348 3.180 -15.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.112 0.887 -16.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.565 1.462 -16.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.859 0.828 -14.919 1.00 0.00 H new ATOM 385 N ASN A 25 -7.155 3.518 -11.008 1.00 0.00 N ATOM 386 CA ASN A 25 -5.742 3.204 -11.126 1.00 0.00 C ATOM 387 C ASN A 25 -5.410 2.018 -10.219 1.00 0.00 C ATOM 388 O ASN A 25 -4.771 1.060 -10.653 1.00 0.00 O ATOM 389 CB ASN A 25 -4.876 4.388 -10.692 1.00 0.00 C ATOM 390 CG ASN A 25 -3.551 4.408 -11.455 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.490 4.135 -10.917 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.670 4.744 -12.737 1.00 0.00 N ATOM 0 H ASN A 25 -7.360 4.370 -10.486 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.535 2.970 -12.170 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.414 5.320 -10.867 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.682 4.328 -9.621 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.843 4.785 -13.332 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.588 4.961 -13.124 1.00 0.00 H new ATOM 399 N LEU A 26 -5.860 2.119 -8.978 1.00 0.00 N ATOM 400 CA LEU A 26 -5.619 1.066 -8.006 1.00 0.00 C ATOM 401 C LEU A 26 -6.117 -0.267 -8.570 1.00 0.00 C ATOM 402 O LEU A 26 -5.345 -1.215 -8.708 1.00 0.00 O ATOM 403 CB LEU A 26 -6.237 1.430 -6.655 1.00 0.00 C ATOM 404 CG LEU A 26 -5.512 0.896 -5.419 1.00 0.00 C ATOM 405 CD1 LEU A 26 -4.311 1.775 -5.064 1.00 0.00 C ATOM 406 CD2 LEU A 26 -6.476 0.742 -4.241 1.00 0.00 C ATOM 0 H LEU A 26 -6.391 2.914 -8.622 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.550 0.956 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.286 2.516 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.263 1.063 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.127 -0.097 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.814 1.373 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.611 1.790 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.651 2.790 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.935 0.361 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.912 1.711 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.269 0.044 -4.509 1.00 0.00 H new ATOM 418 N LEU A 27 -7.404 -0.296 -8.882 1.00 0.00 N ATOM 419 CA LEU A 27 -8.014 -1.497 -9.429 1.00 0.00 C ATOM 420 C LEU A 27 -7.067 -2.124 -10.453 1.00 0.00 C ATOM 421 O LEU A 27 -6.748 -3.308 -10.365 1.00 0.00 O ATOM 422 CB LEU A 27 -9.404 -1.185 -9.986 1.00 0.00 C ATOM 423 CG LEU A 27 -10.568 -1.327 -9.002 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.327 -0.006 -8.858 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.492 -2.478 -9.407 1.00 0.00 C ATOM 0 H LEU A 27 -8.041 0.492 -8.767 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.169 -2.237 -8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.400 -0.164 -10.368 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.590 -1.843 -10.835 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.159 -1.573 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.149 -0.134 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.650 0.765 -8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.724 0.293 -9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.310 -2.557 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.897 -2.287 -10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.928 -3.411 -9.418 1.00 0.00 H new ATOM 437 N GLN A 28 -6.645 -1.301 -11.402 1.00 0.00 N ATOM 438 CA GLN A 28 -5.741 -1.760 -12.443 1.00 0.00 C ATOM 439 C GLN A 28 -4.490 -2.384 -11.822 1.00 0.00 C ATOM 440 O GLN A 28 -3.983 -3.391 -12.316 1.00 0.00 O ATOM 441 CB GLN A 28 -5.371 -0.618 -13.391 1.00 0.00 C ATOM 442 CG GLN A 28 -5.128 -1.138 -14.809 1.00 0.00 C ATOM 443 CD GLN A 28 -3.702 -0.830 -15.269 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.090 0.147 -14.869 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.207 -1.715 -16.130 1.00 0.00 N ATOM 0 H GLN A 28 -6.912 -0.319 -11.472 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.252 -2.524 -13.029 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.171 0.122 -13.404 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.476 -0.114 -13.027 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.299 -2.214 -14.840 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.842 -0.682 -15.495 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.772 -2.511 -16.424 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.262 -1.597 -16.496 1.00 0.00 H new ATOM 454 N LEU A 29 -4.027 -1.761 -10.748 1.00 0.00 N ATOM 455 CA LEU A 29 -2.845 -2.243 -10.055 1.00 0.00 C ATOM 456 C LEU A 29 -3.147 -3.605 -9.427 1.00 0.00 C ATOM 457 O LEU A 29 -2.528 -4.607 -9.782 1.00 0.00 O ATOM 458 CB LEU A 29 -2.350 -1.199 -9.051 1.00 0.00 C ATOM 459 CG LEU A 29 -1.406 -1.712 -7.962 1.00 0.00 C ATOM 460 CD1 LEU A 29 -0.003 -1.954 -8.522 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.388 -0.764 -6.761 1.00 0.00 C ATOM 0 H LEU A 29 -4.449 -0.927 -10.341 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.025 -2.390 -10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.842 -0.407 -9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.217 -0.747 -8.569 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.782 -2.672 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.648 -2.318 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.052 -2.696 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.396 -1.021 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.709 -1.152 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.050 0.222 -7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.392 -0.686 -6.344 1.00 0.00 H new ATOM 473 N GLU A 30 -4.098 -3.599 -8.505 1.00 0.00 N ATOM 474 CA GLU A 30 -4.491 -4.821 -7.825 1.00 0.00 C ATOM 475 C GLU A 30 -4.788 -5.923 -8.844 1.00 0.00 C ATOM 476 O GLU A 30 -4.628 -7.107 -8.549 1.00 0.00 O ATOM 477 CB GLU A 30 -5.693 -4.580 -6.911 1.00 0.00 C ATOM 478 CG GLU A 30 -5.665 -5.522 -5.707 1.00 0.00 C ATOM 479 CD GLU A 30 -6.728 -6.616 -5.843 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.824 -6.284 -6.341 1.00 0.00 O ATOM 481 OE2 GLU A 30 -6.418 -7.760 -5.444 1.00 0.00 O ATOM 0 H GLU A 30 -4.609 -2.766 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.661 -5.147 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.691 -3.545 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.616 -4.728 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.678 -5.977 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.837 -4.955 -4.792 1.00 0.00 H new ATOM 488 N ALA A 31 -5.216 -5.495 -10.022 1.00 0.00 N ATOM 489 CA ALA A 31 -5.539 -6.431 -11.086 1.00 0.00 C ATOM 490 C ALA A 31 -4.292 -7.246 -11.438 1.00 0.00 C ATOM 491 O ALA A 31 -4.363 -8.466 -11.578 1.00 0.00 O ATOM 492 CB ALA A 31 -6.093 -5.666 -12.290 1.00 0.00 C ATOM 0 H ALA A 31 -5.347 -4.513 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.310 -7.130 -10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.335 -6.369 -13.087 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.994 -5.127 -11.996 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.346 -4.957 -12.646 1.00 0.00 H new ATOM 498 N GLN A 32 -3.180 -6.538 -11.570 1.00 0.00 N ATOM 499 CA GLN A 32 -1.920 -7.181 -11.902 1.00 0.00 C ATOM 500 C GLN A 32 -1.682 -8.387 -10.992 1.00 0.00 C ATOM 501 O GLN A 32 -1.251 -8.231 -9.850 1.00 0.00 O ATOM 502 CB GLN A 32 -0.759 -6.188 -11.813 1.00 0.00 C ATOM 503 CG GLN A 32 -0.542 -5.476 -13.149 1.00 0.00 C ATOM 504 CD GLN A 32 0.074 -6.420 -14.182 1.00 0.00 C ATOM 505 OE1 GLN A 32 -0.350 -7.551 -14.358 1.00 0.00 O ATOM 506 NE2 GLN A 32 1.097 -5.897 -14.852 1.00 0.00 N ATOM 0 H GLN A 32 -3.125 -5.526 -11.453 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.975 -7.535 -12.932 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.963 -5.453 -11.034 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.152 -6.713 -11.525 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.494 -5.096 -13.521 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.110 -4.615 -13.004 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.401 -4.944 -14.655 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.577 -6.449 -15.562 1.00 0.00 H new ATOM 584 N LEU A 37 -2.155 -7.167 -4.607 1.00 0.00 N ATOM 585 CA LEU A 37 -2.212 -6.551 -3.293 1.00 0.00 C ATOM 586 C LEU A 37 -3.590 -6.803 -2.676 1.00 0.00 C ATOM 587 O LEU A 37 -4.575 -6.965 -3.394 1.00 0.00 O ATOM 588 CB LEU A 37 -1.839 -5.070 -3.378 1.00 0.00 C ATOM 589 CG LEU A 37 -0.807 -4.698 -4.445 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.440 -3.846 -5.546 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.409 -4.015 -3.817 1.00 0.00 C ATOM 0 HA LEU A 37 -1.476 -7.004 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.747 -4.497 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.457 -4.756 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.453 -5.616 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.685 -3.595 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.247 -4.405 -6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.840 -2.929 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.127 -3.761 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.092 -3.106 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.876 -4.690 -3.100 1.00 0.00 H new ATOM 603 N ASP A 38 -3.614 -6.830 -1.351 1.00 0.00 N ATOM 604 CA ASP A 38 -4.854 -7.060 -0.631 1.00 0.00 C ATOM 605 C ASP A 38 -5.313 -5.752 0.016 1.00 0.00 C ATOM 606 O ASP A 38 -4.627 -5.206 0.879 1.00 0.00 O ATOM 607 CB ASP A 38 -4.661 -8.094 0.482 1.00 0.00 C ATOM 608 CG ASP A 38 -4.915 -9.544 0.067 1.00 0.00 C ATOM 609 OD1 ASP A 38 -4.619 -9.859 -1.106 1.00 0.00 O ATOM 610 OD2 ASP A 38 -5.398 -10.305 0.933 1.00 0.00 O ATOM 0 H ASP A 38 -2.795 -6.696 -0.758 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.593 -7.428 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.642 -8.013 0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.328 -7.846 1.308 1.00 0.00 H new ATOM 615 N PHE A 39 -6.473 -5.286 -0.426 1.00 0.00 N ATOM 616 CA PHE A 39 -7.032 -4.051 0.097 1.00 0.00 C ATOM 617 C PHE A 39 -7.932 -4.326 1.304 1.00 0.00 C ATOM 618 O PHE A 39 -8.843 -5.149 1.229 1.00 0.00 O ATOM 619 CB PHE A 39 -7.874 -3.432 -1.021 1.00 0.00 C ATOM 620 CG PHE A 39 -7.069 -3.046 -2.263 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.796 -2.586 -2.134 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.628 -3.162 -3.499 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.050 -2.227 -3.288 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.882 -2.803 -4.652 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.608 -2.344 -4.522 1.00 0.00 C ATOM 0 H PHE A 39 -7.041 -5.742 -1.140 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.230 -3.386 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.652 -4.138 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.376 -2.545 -0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.352 -2.494 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.639 -3.527 -3.602 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.039 -1.861 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.326 -2.894 -5.632 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.040 -2.073 -5.399 1.00 0.00 H new ATOM 635 N TRP A 40 -7.645 -3.621 2.388 1.00 0.00 N ATOM 636 CA TRP A 40 -8.415 -3.778 3.609 1.00 0.00 C ATOM 637 C TRP A 40 -9.787 -3.137 3.388 1.00 0.00 C ATOM 638 O TRP A 40 -10.810 -3.703 3.771 1.00 0.00 O ATOM 639 CB TRP A 40 -7.669 -3.193 4.809 1.00 0.00 C ATOM 640 CG TRP A 40 -6.517 -4.066 5.311 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.086 -5.232 4.811 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.659 -3.793 6.440 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.019 -5.729 5.531 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.752 -4.826 6.553 1.00 0.00 C ATOM 645 CE3 TRP A 40 -5.653 -2.710 7.336 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.769 -4.877 7.550 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -4.665 -2.776 8.326 1.00 0.00 C ATOM 648 CH2 TRP A 40 -3.743 -3.808 8.454 1.00 0.00 C ATOM 0 H TRP A 40 -6.889 -2.939 2.446 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.556 -4.833 3.842 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.277 -2.213 4.538 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.376 -3.039 5.624 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.520 -5.722 3.952 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.519 -6.599 5.347 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.355 -1.892 7.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.069 -5.697 7.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.616 -1.968 9.041 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.010 -3.786 9.247 1.00 0.00 H new ATOM 659 N LYS A 41 -9.764 -1.964 2.772 1.00 0.00 N ATOM 660 CA LYS A 41 -10.993 -1.240 2.495 1.00 0.00 C ATOM 661 C LYS A 41 -11.154 -1.077 0.983 1.00 0.00 C ATOM 662 O LYS A 41 -10.442 -0.292 0.360 1.00 0.00 O ATOM 663 CB LYS A 41 -11.018 0.085 3.263 1.00 0.00 C ATOM 664 CG LYS A 41 -11.651 -0.094 4.643 1.00 0.00 C ATOM 665 CD LYS A 41 -12.597 1.065 4.967 1.00 0.00 C ATOM 666 CE LYS A 41 -13.833 0.571 5.721 1.00 0.00 C ATOM 667 NZ LYS A 41 -14.326 1.613 6.649 1.00 0.00 N ATOM 0 H LYS A 41 -8.914 -1.497 2.457 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.856 -1.804 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.002 0.466 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.578 0.828 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.199 -1.036 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.870 -0.153 5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.074 1.809 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.903 1.558 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.617 0.307 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.589 -0.334 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.165 1.261 7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.582 1.845 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.578 2.466 6.111 1.00 0.00 H new ATOM 681 N SER A 42 -12.095 -1.832 0.436 1.00 0.00 N ATOM 682 CA SER A 42 -12.360 -1.783 -0.992 1.00 0.00 C ATOM 683 C SER A 42 -12.334 -0.332 -1.478 1.00 0.00 C ATOM 684 O SER A 42 -13.298 0.407 -1.288 1.00 0.00 O ATOM 685 CB SER A 42 -13.705 -2.430 -1.326 1.00 0.00 C ATOM 686 OG SER A 42 -14.773 -1.860 -0.575 1.00 0.00 O ATOM 0 H SER A 42 -12.684 -2.482 0.957 1.00 0.00 H new ATOM 0 HA SER A 42 -11.580 -2.346 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.908 -2.314 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.652 -3.500 -1.126 1.00 0.00 H new ATOM 0 HG SER A 42 -14.665 -0.887 -0.540 1.00 0.00 H new ATOM 692 N PRO A 43 -11.191 0.040 -2.113 1.00 0.00 N ATOM 693 CA PRO A 43 -11.026 1.389 -2.628 1.00 0.00 C ATOM 694 C PRO A 43 -11.843 1.592 -3.906 1.00 0.00 C ATOM 695 O PRO A 43 -11.869 2.688 -4.463 1.00 0.00 O ATOM 696 CB PRO A 43 -9.530 1.547 -2.847 1.00 0.00 C ATOM 697 CG PRO A 43 -8.964 0.137 -2.890 1.00 0.00 C ATOM 698 CD PRO A 43 -10.028 -0.809 -2.356 1.00 0.00 C ATOM 0 HA PRO A 43 -11.396 2.150 -1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.325 2.079 -3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.076 2.126 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.690 -0.133 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.058 0.071 -2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.255 -1.596 -3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.698 -1.300 -1.441 1.00 0.00 H new ATOM 706 N THR A 44 -12.489 0.517 -4.333 1.00 0.00 N ATOM 707 CA THR A 44 -13.303 0.562 -5.536 1.00 0.00 C ATOM 708 C THR A 44 -14.051 1.894 -5.623 1.00 0.00 C ATOM 709 O THR A 44 -14.290 2.406 -6.716 1.00 0.00 O ATOM 710 CB THR A 44 -14.230 -0.655 -5.525 1.00 0.00 C ATOM 711 OG1 THR A 44 -13.488 -1.663 -6.205 1.00 0.00 O ATOM 712 CG2 THR A 44 -15.471 -0.454 -6.397 1.00 0.00 C ATOM 0 H THR A 44 -12.465 -0.390 -3.868 1.00 0.00 H new ATOM 0 HA THR A 44 -12.686 0.511 -6.433 1.00 0.00 H new ATOM 0 HB THR A 44 -14.537 -0.868 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.015 -2.488 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.095 -1.347 -6.354 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.038 0.402 -6.032 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.166 -0.274 -7.428 1.00 0.00 H new ATOM 720 N THR A 45 -14.399 2.418 -4.457 1.00 0.00 N ATOM 721 CA THR A 45 -15.114 3.680 -4.388 1.00 0.00 C ATOM 722 C THR A 45 -14.328 4.694 -3.554 1.00 0.00 C ATOM 723 O THR A 45 -13.533 4.313 -2.695 1.00 0.00 O ATOM 724 CB THR A 45 -16.516 3.401 -3.842 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.314 3.219 -2.443 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.072 2.057 -4.316 1.00 0.00 C ATOM 0 H THR A 45 -14.199 1.991 -3.553 1.00 0.00 H new ATOM 0 HA THR A 45 -15.218 4.129 -5.376 1.00 0.00 H new ATOM 0 HB THR A 45 -17.190 4.201 -4.148 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.173 3.035 -2.010 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.068 1.908 -3.900 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.128 2.050 -5.405 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.416 1.253 -3.982 1.00 0.00 H new ATOM 734 N PRO A 46 -14.585 5.999 -3.841 1.00 0.00 N ATOM 735 CA PRO A 46 -13.911 7.069 -3.127 1.00 0.00 C ATOM 736 C PRO A 46 -14.481 7.233 -1.718 1.00 0.00 C ATOM 737 O PRO A 46 -15.222 6.374 -1.240 1.00 0.00 O ATOM 738 CB PRO A 46 -14.104 8.303 -3.994 1.00 0.00 C ATOM 739 CG PRO A 46 -15.268 7.984 -4.919 1.00 0.00 C ATOM 740 CD PRO A 46 -15.520 6.486 -4.851 1.00 0.00 C ATOM 0 HA PRO A 46 -12.851 6.869 -2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.319 9.180 -3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.202 8.525 -4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.158 8.535 -4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.038 8.286 -5.941 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.552 6.270 -4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.344 6.010 -5.816 1.00 0.00 H new ATOM 748 N GLY A 47 -14.116 8.341 -1.090 1.00 0.00 N ATOM 749 CA GLY A 47 -14.582 8.628 0.256 1.00 0.00 C ATOM 750 C GLY A 47 -14.376 7.424 1.175 1.00 0.00 C ATOM 751 O GLY A 47 -15.040 7.302 2.204 1.00 0.00 O ATOM 0 H GLY A 47 -13.502 9.051 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.046 9.490 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.639 8.894 0.230 1.00 0.00 H new ATOM 755 N GLU A 48 -13.451 6.564 0.773 1.00 0.00 N ATOM 756 CA GLU A 48 -13.149 5.373 1.549 1.00 0.00 C ATOM 757 C GLU A 48 -11.639 5.129 1.581 1.00 0.00 C ATOM 758 O GLU A 48 -11.036 4.813 0.557 1.00 0.00 O ATOM 759 CB GLU A 48 -13.890 4.155 0.995 1.00 0.00 C ATOM 760 CG GLU A 48 -15.383 4.227 1.318 1.00 0.00 C ATOM 761 CD GLU A 48 -15.933 2.844 1.677 1.00 0.00 C ATOM 762 OE1 GLU A 48 -16.027 2.013 0.749 1.00 0.00 O ATOM 763 OE2 GLU A 48 -16.248 2.651 2.871 1.00 0.00 O ATOM 0 H GLU A 48 -12.901 6.668 -0.080 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.493 5.532 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.750 4.100 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.466 3.244 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.547 4.914 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.925 4.627 0.461 1.00 0.00 H new ATOM 770 N THR A 49 -11.071 5.287 2.768 1.00 0.00 N ATOM 771 CA THR A 49 -9.643 5.087 2.946 1.00 0.00 C ATOM 772 C THR A 49 -9.285 3.609 2.779 1.00 0.00 C ATOM 773 O THR A 49 -10.038 2.733 3.201 1.00 0.00 O ATOM 774 CB THR A 49 -9.253 5.657 4.312 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.326 5.272 5.168 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.285 7.185 4.340 1.00 0.00 C ATOM 0 H THR A 49 -11.574 5.551 3.615 1.00 0.00 H new ATOM 0 HA THR A 49 -9.072 5.614 2.182 1.00 0.00 H new ATOM 0 HB THR A 49 -8.254 5.310 4.578 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.154 5.599 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.000 7.537 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.586 7.577 3.601 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.292 7.532 4.107 1.00 0.00 H new ATOM 784 N ALA A 50 -8.135 3.377 2.164 1.00 0.00 N ATOM 785 CA ALA A 50 -7.668 2.020 1.936 1.00 0.00 C ATOM 786 C ALA A 50 -6.422 1.765 2.785 1.00 0.00 C ATOM 787 O ALA A 50 -5.702 2.699 3.133 1.00 0.00 O ATOM 788 CB ALA A 50 -7.408 1.814 0.442 1.00 0.00 C ATOM 0 H ALA A 50 -7.512 4.106 1.816 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.426 1.297 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.058 0.796 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.331 1.979 -0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.650 2.520 0.104 1.00 0.00 H new ATOM 794 N HIS A 51 -6.208 0.495 3.096 1.00 0.00 N ATOM 795 CA HIS A 51 -5.061 0.104 3.898 1.00 0.00 C ATOM 796 C HIS A 51 -4.613 -1.304 3.503 1.00 0.00 C ATOM 797 O HIS A 51 -5.145 -2.292 4.007 1.00 0.00 O ATOM 798 CB HIS A 51 -5.374 0.231 5.391 1.00 0.00 C ATOM 799 CG HIS A 51 -6.398 1.292 5.715 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.649 0.995 6.226 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.343 2.650 5.598 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.309 2.130 6.403 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.498 3.154 6.013 1.00 0.00 N ATOM 0 H HIS A 51 -6.809 -0.277 2.807 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.228 0.779 3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.732 -0.730 5.760 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.452 0.455 5.927 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.003 0.061 6.432 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.502 3.219 5.230 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.313 2.227 6.789 1.00 0.00 H new ATOM 812 N VAL A 52 -3.640 -1.352 2.606 1.00 0.00 N ATOM 813 CA VAL A 52 -3.115 -2.623 2.138 1.00 0.00 C ATOM 814 C VAL A 52 -1.676 -2.789 2.631 1.00 0.00 C ATOM 815 O VAL A 52 -0.945 -1.809 2.767 1.00 0.00 O ATOM 816 CB VAL A 52 -3.238 -2.711 0.615 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.118 -1.328 -0.026 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.202 -3.676 0.036 1.00 0.00 C ATOM 0 H VAL A 52 -3.201 -0.530 2.190 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.696 -3.449 2.547 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.228 -3.103 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.209 -1.419 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.911 -0.682 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.149 -0.895 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.311 -3.720 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.200 -3.327 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.355 -4.670 0.457 1.00 0.00 H new ATOM 828 N ARG A 53 -1.312 -4.037 2.886 1.00 0.00 N ATOM 829 CA ARG A 53 0.025 -4.344 3.362 1.00 0.00 C ATOM 830 C ARG A 53 0.970 -4.574 2.180 1.00 0.00 C ATOM 831 O ARG A 53 1.155 -5.707 1.741 1.00 0.00 O ATOM 832 CB ARG A 53 0.022 -5.588 4.252 1.00 0.00 C ATOM 833 CG ARG A 53 -0.649 -6.767 3.545 1.00 0.00 C ATOM 834 CD ARG A 53 0.150 -8.056 3.749 1.00 0.00 C ATOM 835 NE ARG A 53 0.398 -8.710 2.444 1.00 0.00 N ATOM 836 CZ ARG A 53 0.841 -9.967 2.306 1.00 0.00 C ATOM 837 NH1 ARG A 53 1.089 -10.712 3.392 1.00 0.00 N ATOM 838 NH2 ARG A 53 1.038 -10.477 1.083 1.00 0.00 N ATOM 0 H ARG A 53 -1.921 -4.848 2.772 1.00 0.00 H new ATOM 0 HA ARG A 53 0.371 -3.493 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.046 -5.853 4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.502 -5.372 5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.661 -6.898 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.737 -6.554 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.098 -7.832 4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.397 -8.732 4.406 1.00 0.00 H new ATOM 0 HE ARG A 53 0.221 -8.170 1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.940 -10.322 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.426 -11.669 3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.851 -9.908 0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.375 -11.434 0.978 1.00 0.00 H new ATOM 852 N VAL A 54 1.541 -3.479 1.698 1.00 0.00 N ATOM 853 CA VAL A 54 2.462 -3.548 0.576 1.00 0.00 C ATOM 854 C VAL A 54 3.874 -3.821 1.096 1.00 0.00 C ATOM 855 O VAL A 54 4.257 -3.322 2.153 1.00 0.00 O ATOM 856 CB VAL A 54 2.367 -2.267 -0.256 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.440 -1.027 0.636 1.00 0.00 C ATOM 858 CG2 VAL A 54 3.454 -2.232 -1.333 1.00 0.00 C ATOM 0 H VAL A 54 1.384 -2.540 2.064 1.00 0.00 H new ATOM 0 HA VAL A 54 2.197 -4.371 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 54 1.398 -2.263 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.370 -0.131 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.615 -1.042 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.387 -1.023 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.365 -1.312 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.436 -2.270 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.337 -3.089 -1.996 1.00 0.00 H new ATOM 868 N PRO A 55 4.630 -4.632 0.309 1.00 0.00 N ATOM 869 CA PRO A 55 5.992 -4.977 0.679 1.00 0.00 C ATOM 870 C PRO A 55 6.941 -3.802 0.436 1.00 0.00 C ATOM 871 O PRO A 55 6.883 -3.159 -0.611 1.00 0.00 O ATOM 872 CB PRO A 55 6.331 -6.198 -0.163 1.00 0.00 C ATOM 873 CG PRO A 55 5.325 -6.210 -1.303 1.00 0.00 C ATOM 874 CD PRO A 55 4.209 -5.241 -0.950 1.00 0.00 C ATOM 0 HA PRO A 55 6.096 -5.200 1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.351 -6.140 -0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.263 -7.111 0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.804 -5.917 -2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.927 -7.214 -1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.076 -4.490 -1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.256 -5.758 -0.840 1.00 0.00 H new ATOM 882 N PHE A 56 7.791 -3.556 1.422 1.00 0.00 N ATOM 883 CA PHE A 56 8.751 -2.469 1.329 1.00 0.00 C ATOM 884 C PHE A 56 9.492 -2.505 -0.009 1.00 0.00 C ATOM 885 O PHE A 56 9.753 -1.463 -0.607 1.00 0.00 O ATOM 886 CB PHE A 56 9.759 -2.664 2.463 1.00 0.00 C ATOM 887 CG PHE A 56 10.471 -1.379 2.891 1.00 0.00 C ATOM 888 CD1 PHE A 56 11.415 -0.825 2.084 1.00 0.00 C ATOM 889 CD2 PHE A 56 10.161 -0.792 4.077 1.00 0.00 C ATOM 890 CE1 PHE A 56 12.076 0.367 2.481 1.00 0.00 C ATOM 891 CE2 PHE A 56 10.822 0.401 4.473 1.00 0.00 C ATOM 892 CZ PHE A 56 11.766 0.955 3.667 1.00 0.00 C ATOM 0 H PHE A 56 7.835 -4.091 2.289 1.00 0.00 H new ATOM 0 HA PHE A 56 8.237 -1.511 1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.243 -3.086 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.506 -3.394 2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.662 -1.292 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.412 -1.233 4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.826 0.807 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.575 0.868 5.415 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.269 1.862 3.969 1.00 0.00 H new ATOM 902 N VAL A 57 9.812 -3.717 -0.440 1.00 0.00 N ATOM 903 CA VAL A 57 10.518 -3.903 -1.696 1.00 0.00 C ATOM 904 C VAL A 57 9.618 -3.464 -2.852 1.00 0.00 C ATOM 905 O VAL A 57 10.102 -3.166 -3.942 1.00 0.00 O ATOM 906 CB VAL A 57 10.989 -5.353 -1.822 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.875 -6.327 -1.433 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.503 -5.642 -3.234 1.00 0.00 C ATOM 0 H VAL A 57 9.595 -4.580 0.059 1.00 0.00 H new ATOM 0 HA VAL A 57 11.413 -3.281 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 57 11.817 -5.498 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.236 -7.351 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.577 -6.145 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.017 -6.180 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.832 -6.679 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.703 -5.471 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.341 -4.982 -3.458 1.00 0.00 H new ATOM 918 N ASN A 58 8.322 -3.439 -2.574 1.00 0.00 N ATOM 919 CA ASN A 58 7.349 -3.041 -3.578 1.00 0.00 C ATOM 920 C ASN A 58 6.629 -1.775 -3.111 1.00 0.00 C ATOM 921 O ASN A 58 5.611 -1.388 -3.684 1.00 0.00 O ATOM 922 CB ASN A 58 6.298 -4.133 -3.789 1.00 0.00 C ATOM 923 CG ASN A 58 5.593 -3.963 -5.135 1.00 0.00 C ATOM 924 OD1 ASN A 58 4.891 -2.995 -5.379 1.00 0.00 O ATOM 925 ND2 ASN A 58 5.818 -4.953 -5.993 1.00 0.00 N ATOM 0 H ASN A 58 7.924 -3.688 -1.669 1.00 0.00 H new ATOM 0 HA ASN A 58 7.881 -2.867 -4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.773 -5.113 -3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.565 -4.097 -2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.392 -4.931 -6.920 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.416 -5.734 -5.725 1.00 0.00 H new ATOM 932 N VAL A 59 7.185 -1.165 -2.075 1.00 0.00 N ATOM 933 CA VAL A 59 6.609 0.050 -1.524 1.00 0.00 C ATOM 934 C VAL A 59 6.961 1.232 -2.428 1.00 0.00 C ATOM 935 O VAL A 59 6.190 2.185 -2.540 1.00 0.00 O ATOM 936 CB VAL A 59 7.075 0.242 -0.080 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.172 1.728 0.272 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.155 -0.493 0.897 1.00 0.00 C ATOM 0 H VAL A 59 8.029 -1.489 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 59 5.522 -0.023 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 59 8.072 -0.190 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.505 1.836 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.886 2.214 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.194 2.194 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.510 -0.340 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.141 -0.105 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.158 -1.559 0.668 1.00 0.00 H new ATOM 948 N GLN A 60 8.125 1.132 -3.053 1.00 0.00 N ATOM 949 CA GLN A 60 8.589 2.182 -3.944 1.00 0.00 C ATOM 950 C GLN A 60 7.726 2.226 -5.207 1.00 0.00 C ATOM 951 O GLN A 60 7.019 3.203 -5.446 1.00 0.00 O ATOM 952 CB GLN A 60 10.066 1.990 -4.295 1.00 0.00 C ATOM 953 CG GLN A 60 10.725 3.326 -4.646 1.00 0.00 C ATOM 954 CD GLN A 60 12.247 3.235 -4.528 1.00 0.00 C ATOM 955 OE1 GLN A 60 12.800 2.268 -4.030 1.00 0.00 O ATOM 956 NE2 GLN A 60 12.891 4.292 -5.014 1.00 0.00 N ATOM 0 H GLN A 60 8.761 0.340 -2.960 1.00 0.00 H new ATOM 0 HA GLN A 60 8.493 3.138 -3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.587 1.534 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.157 1.303 -5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.452 3.614 -5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.351 4.105 -3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.366 5.068 -5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.910 4.327 -4.983 1.00 0.00 H new ATOM 965 N ALA A 61 7.813 1.154 -5.981 1.00 0.00 N ATOM 966 CA ALA A 61 7.050 1.057 -7.213 1.00 0.00 C ATOM 967 C ALA A 61 5.618 1.535 -6.960 1.00 0.00 C ATOM 968 O ALA A 61 5.017 2.185 -7.814 1.00 0.00 O ATOM 969 CB ALA A 61 7.100 -0.380 -7.734 1.00 0.00 C ATOM 0 H ALA A 61 8.401 0.345 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 61 7.481 1.698 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.527 -0.452 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.135 -0.662 -7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.673 -1.052 -6.989 1.00 0.00 H new ATOM 975 N VAL A 62 5.115 1.196 -5.782 1.00 0.00 N ATOM 976 CA VAL A 62 3.766 1.583 -5.406 1.00 0.00 C ATOM 977 C VAL A 62 3.737 3.081 -5.094 1.00 0.00 C ATOM 978 O VAL A 62 2.802 3.781 -5.481 1.00 0.00 O ATOM 979 CB VAL A 62 3.281 0.721 -4.239 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.901 1.174 -3.758 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.270 -0.761 -4.619 1.00 0.00 C ATOM 0 H VAL A 62 5.617 0.658 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 62 3.075 1.409 -6.231 1.00 0.00 H new ATOM 0 HB VAL A 62 3.982 0.850 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.580 0.544 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.953 2.211 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.185 1.089 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.921 -1.351 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.603 -0.914 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.278 -1.075 -4.889 1.00 0.00 H new ATOM 991 N LYS A 63 4.772 3.528 -4.399 1.00 0.00 N ATOM 992 CA LYS A 63 4.878 4.930 -4.032 1.00 0.00 C ATOM 993 C LYS A 63 4.906 5.785 -5.302 1.00 0.00 C ATOM 994 O LYS A 63 4.391 6.902 -5.313 1.00 0.00 O ATOM 995 CB LYS A 63 6.081 5.154 -3.113 1.00 0.00 C ATOM 996 CG LYS A 63 6.643 6.567 -3.281 1.00 0.00 C ATOM 997 CD LYS A 63 7.531 6.949 -2.095 1.00 0.00 C ATOM 998 CE LYS A 63 6.687 7.374 -0.892 1.00 0.00 C ATOM 999 NZ LYS A 63 7.292 8.548 -0.223 1.00 0.00 N ATOM 0 H LYS A 63 5.545 2.944 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 63 4.005 5.240 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.785 4.997 -2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.856 4.421 -3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.219 6.626 -4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.823 7.280 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.161 6.103 -1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.197 7.763 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.675 7.615 -1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.607 6.547 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.707 8.823 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.249 8.306 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.346 9.340 -0.894 1.00 0.00 H new ATOM 1013 N VAL A 64 5.513 5.226 -6.339 1.00 0.00 N ATOM 1014 CA VAL A 64 5.615 5.923 -7.609 1.00 0.00 C ATOM 1015 C VAL A 64 4.266 5.864 -8.329 1.00 0.00 C ATOM 1016 O VAL A 64 3.895 6.798 -9.037 1.00 0.00 O ATOM 1017 CB VAL A 64 6.761 5.337 -8.437 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.619 5.715 -9.913 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.118 5.779 -7.886 1.00 0.00 C ATOM 0 H VAL A 64 5.939 4.299 -6.325 1.00 0.00 H new ATOM 0 HA VAL A 64 5.852 6.975 -7.449 1.00 0.00 H new ATOM 0 HB VAL A 64 6.707 4.251 -8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.446 5.286 -10.480 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.676 5.328 -10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.634 6.800 -10.014 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.915 5.349 -8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.186 6.866 -7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.221 5.437 -6.856 1.00 0.00 H new ATOM 1029 N PHE A 65 3.570 4.756 -8.121 1.00 0.00 N ATOM 1030 CA PHE A 65 2.270 4.562 -8.741 1.00 0.00 C ATOM 1031 C PHE A 65 1.258 5.587 -8.225 1.00 0.00 C ATOM 1032 O PHE A 65 0.646 6.309 -9.009 1.00 0.00 O ATOM 1033 CB PHE A 65 1.797 3.158 -8.358 1.00 0.00 C ATOM 1034 CG PHE A 65 0.593 2.666 -9.164 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.705 2.474 -10.506 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.590 2.421 -8.538 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.413 2.017 -11.253 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.707 1.964 -9.286 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.595 1.772 -10.628 1.00 0.00 C ATOM 0 H PHE A 65 3.881 3.984 -7.532 1.00 0.00 H new ATOM 0 HA PHE A 65 2.351 4.684 -9.821 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.622 2.458 -8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.541 3.148 -7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.644 2.669 -11.003 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.679 2.574 -7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.324 1.864 -12.318 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.646 1.769 -8.789 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.445 1.425 -11.197 1.00 0.00 H new ATOM 1049 N LEU A 66 1.113 5.616 -6.908 1.00 0.00 N ATOM 1050 CA LEU A 66 0.185 6.541 -6.277 1.00 0.00 C ATOM 1051 C LEU A 66 0.384 7.937 -6.869 1.00 0.00 C ATOM 1052 O LEU A 66 -0.558 8.538 -7.382 1.00 0.00 O ATOM 1053 CB LEU A 66 0.331 6.490 -4.755 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.272 5.265 -4.064 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.709 4.668 -3.053 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.619 5.603 -3.425 1.00 0.00 C ATOM 0 H LEU A 66 1.622 5.014 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.845 6.251 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.392 6.535 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.131 7.383 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.458 4.503 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.256 3.799 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.622 4.366 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.949 5.414 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.025 4.715 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.483 6.390 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.311 5.945 -4.194 1.00 0.00 H new ATOM 1068 N GLU A 67 1.617 8.414 -6.776 1.00 0.00 N ATOM 1069 CA GLU A 67 1.951 9.730 -7.294 1.00 0.00 C ATOM 1070 C GLU A 67 1.575 9.828 -8.774 1.00 0.00 C ATOM 1071 O GLU A 67 0.971 10.812 -9.200 1.00 0.00 O ATOM 1072 CB GLU A 67 3.434 10.042 -7.085 1.00 0.00 C ATOM 1073 CG GLU A 67 3.663 10.743 -5.744 1.00 0.00 C ATOM 1074 CD GLU A 67 3.921 12.237 -5.942 1.00 0.00 C ATOM 1075 OE1 GLU A 67 3.173 12.841 -6.743 1.00 0.00 O ATOM 1076 OE2 GLU A 67 4.860 12.743 -5.291 1.00 0.00 O ATOM 0 H GLU A 67 2.396 7.913 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 67 1.376 10.473 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.012 9.119 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.794 10.675 -7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.792 10.603 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.512 10.289 -5.233 1.00 0.00 H new ATOM 1083 N SER A 68 1.944 8.795 -9.516 1.00 0.00 N ATOM 1084 CA SER A 68 1.653 8.754 -10.939 1.00 0.00 C ATOM 1085 C SER A 68 0.155 8.961 -11.172 1.00 0.00 C ATOM 1086 O SER A 68 -0.239 9.696 -12.078 1.00 0.00 O ATOM 1087 CB SER A 68 2.107 7.428 -11.555 1.00 0.00 C ATOM 1088 OG SER A 68 1.081 6.440 -11.512 1.00 0.00 O ATOM 0 H SER A 68 2.442 7.980 -9.159 1.00 0.00 H new ATOM 0 HA SER A 68 2.205 9.558 -11.425 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.408 7.593 -12.590 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.985 7.062 -11.022 1.00 0.00 H new ATOM 0 HG SER A 68 0.891 6.206 -10.580 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.638 8.302 -10.341 1.00 0.00 N ATOM 1095 CA GLN A 69 -2.083 8.406 -10.446 1.00 0.00 C ATOM 1096 C GLN A 69 -2.578 9.667 -9.736 1.00 0.00 C ATOM 1097 O GLN A 69 -3.776 9.827 -9.510 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.765 7.157 -9.883 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.415 6.959 -8.407 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.247 5.831 -7.792 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -4.455 5.925 -7.646 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -2.536 4.764 -7.442 1.00 0.00 N ATOM 0 H GLN A 69 -0.307 7.694 -9.592 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.346 8.480 -11.501 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.845 7.247 -9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.457 6.281 -10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.354 6.728 -8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.591 7.885 -7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.527 4.752 -7.592 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.999 3.958 -7.023 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.630 10.532 -9.404 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.954 11.774 -8.723 1.00 0.00 C ATOM 1113 C GLY A 70 -2.929 11.528 -7.569 1.00 0.00 C ATOM 1114 O GLY A 70 -3.975 12.170 -7.490 1.00 0.00 O ATOM 0 H GLY A 70 -0.637 10.397 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.042 12.233 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.393 12.477 -9.431 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.550 10.600 -6.704 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.377 10.263 -5.557 1.00 0.00 C ATOM 1120 C ILE A 71 -2.693 10.751 -4.279 1.00 0.00 C ATOM 1121 O ILE A 71 -1.572 11.257 -4.324 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.697 8.767 -5.550 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.883 8.464 -4.631 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.461 7.943 -5.182 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.651 7.232 -5.113 1.00 0.00 C ATOM 0 H ILE A 71 -1.681 10.070 -6.774 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.339 10.772 -5.618 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.989 8.476 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.527 8.300 -3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.552 9.324 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.716 6.883 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.671 8.128 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.114 8.230 -4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.488 7.040 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.027 7.409 -6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.986 6.368 -5.120 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.397 10.585 -3.169 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.872 11.003 -1.880 1.00 0.00 C ATOM 1139 C ALA A 72 -2.927 9.825 -0.906 1.00 0.00 C ATOM 1140 O ALA A 72 -4.000 9.289 -0.634 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.660 12.213 -1.376 1.00 0.00 C ATOM 0 H ALA A 72 -4.327 10.167 -3.136 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.829 11.308 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.266 12.527 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.565 13.032 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.711 11.944 -1.270 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.756 9.456 -0.407 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.657 8.351 0.531 1.00 0.00 C ATOM 1149 C TYR A 73 -0.793 8.730 1.736 1.00 0.00 C ATOM 1150 O TYR A 73 -0.455 9.898 1.918 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.978 7.210 -0.230 1.00 0.00 C ATOM 1152 CG TYR A 73 0.207 7.655 -1.091 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.006 8.446 -2.201 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.488 7.266 -0.756 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.108 8.866 -3.011 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.602 7.685 -1.566 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.358 8.464 -2.654 1.00 0.00 C ATOM 1158 OH TYR A 73 3.410 8.860 -3.419 1.00 0.00 O ATOM 0 H TYR A 73 -0.868 9.903 -0.635 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.643 8.075 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.634 6.464 0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.715 6.723 -0.868 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.009 8.750 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.655 6.647 0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.955 9.486 -3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.609 7.387 -1.315 1.00 0.00 H new ATOM 0 HH TYR A 73 3.667 8.133 -4.023 1.00 0.00 H new ATOM 1168 N SER A 74 -0.460 7.720 2.527 1.00 0.00 N ATOM 1169 CA SER A 74 0.358 7.933 3.707 1.00 0.00 C ATOM 1170 C SER A 74 0.795 6.588 4.291 1.00 0.00 C ATOM 1171 O SER A 74 0.273 5.542 3.908 1.00 0.00 O ATOM 1172 CB SER A 74 -0.397 8.747 4.761 1.00 0.00 C ATOM 1173 OG SER A 74 -0.183 10.148 4.606 1.00 0.00 O ATOM 0 H SER A 74 -0.742 6.752 2.373 1.00 0.00 H new ATOM 0 HA SER A 74 1.242 8.499 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.463 8.533 4.690 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.076 8.439 5.756 1.00 0.00 H new ATOM 0 HG SER A 74 -0.241 10.385 3.657 1.00 0.00 H new ATOM 1179 N ILE A 75 1.750 6.658 5.208 1.00 0.00 N ATOM 1180 CA ILE A 75 2.264 5.459 5.846 1.00 0.00 C ATOM 1181 C ILE A 75 1.601 5.291 7.215 1.00 0.00 C ATOM 1182 O ILE A 75 1.674 6.185 8.058 1.00 0.00 O ATOM 1183 CB ILE A 75 3.793 5.496 5.904 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.391 5.637 4.503 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.342 4.273 6.641 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.617 6.553 4.520 1.00 0.00 C ATOM 0 H ILE A 75 2.181 7.527 5.524 1.00 0.00 H new ATOM 0 HA ILE A 75 2.011 4.577 5.258 1.00 0.00 H new ATOM 0 HB ILE A 75 4.093 6.377 6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.672 4.655 4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.641 6.040 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.431 4.323 6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.954 4.257 7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.034 3.366 6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.023 6.636 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.328 7.541 4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.375 6.135 5.183 1.00 0.00 H new ATOM 1198 N MET A 76 0.968 4.142 7.394 1.00 0.00 N ATOM 1199 CA MET A 76 0.292 3.846 8.646 1.00 0.00 C ATOM 1200 C MET A 76 1.279 3.326 9.692 1.00 0.00 C ATOM 1201 O MET A 76 1.555 4.003 10.682 1.00 0.00 O ATOM 1202 CB MET A 76 -0.795 2.796 8.404 1.00 0.00 C ATOM 1203 CG MET A 76 -1.956 2.975 9.384 1.00 0.00 C ATOM 1204 SD MET A 76 -1.354 2.911 11.062 1.00 0.00 S ATOM 1205 CE MET A 76 -2.049 1.351 11.583 1.00 0.00 C ATOM 0 H MET A 76 0.909 3.404 6.693 1.00 0.00 H new ATOM 0 HA MET A 76 -0.156 4.766 9.021 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.162 2.876 7.381 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.372 1.797 8.514 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.452 3.929 9.203 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.700 2.194 9.226 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.768 1.155 12.618 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.135 1.392 11.504 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.669 0.552 10.946 1.00 0.00 H new ATOM 1215 N ILE A 77 1.786 2.128 9.438 1.00 0.00 N ATOM 1216 CA ILE A 77 2.738 1.510 10.346 1.00 0.00 C ATOM 1217 C ILE A 77 4.085 1.358 9.639 1.00 0.00 C ATOM 1218 O ILE A 77 4.138 1.208 8.420 1.00 0.00 O ATOM 1219 CB ILE A 77 2.179 0.195 10.893 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.167 -0.461 11.860 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.779 -0.746 9.755 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.426 0.436 13.071 1.00 0.00 C ATOM 0 H ILE A 77 1.555 1.569 8.617 1.00 0.00 H new ATOM 0 HA ILE A 77 2.904 2.146 11.215 1.00 0.00 H new ATOM 0 HB ILE A 77 1.275 0.417 11.459 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.773 -1.422 12.192 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.106 -0.663 11.345 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.385 -1.673 10.171 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.014 -0.270 9.141 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.652 -0.966 9.141 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.131 -0.054 13.742 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.843 1.386 12.737 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.489 0.616 13.598 1.00 0.00 H new ATOM 1234 N GLU A 78 5.144 1.402 10.436 1.00 0.00 N ATOM 1235 CA GLU A 78 6.488 1.272 9.903 1.00 0.00 C ATOM 1236 C GLU A 78 7.375 0.498 10.880 1.00 0.00 C ATOM 1237 O GLU A 78 6.913 -0.433 11.539 1.00 0.00 O ATOM 1238 CB GLU A 78 7.088 2.643 9.587 1.00 0.00 C ATOM 1239 CG GLU A 78 8.085 2.552 8.429 1.00 0.00 C ATOM 1240 CD GLU A 78 7.516 3.199 7.164 1.00 0.00 C ATOM 1241 OE1 GLU A 78 7.466 4.448 7.138 1.00 0.00 O ATOM 1242 OE2 GLU A 78 7.145 2.430 6.251 1.00 0.00 O ATOM 0 H GLU A 78 5.097 1.526 11.447 1.00 0.00 H new ATOM 0 HA GLU A 78 6.434 0.712 8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.292 3.342 9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.588 3.038 10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.017 3.045 8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.324 1.507 8.231 1.00 0.00 H new