USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 465 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 27 TYR OH : rot -175:sc= 1.36 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.521 K(o=1.9,f=-7.4!) USER MOD Single : A 13 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.81) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00261 X(o=-0.0026,f=0) USER MOD Single : A 21 SER OG : rot 102:sc= 1.06 USER MOD Single : A 26 GLN : amide:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.038) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 148:sc= -0.0328 (180deg=-0.0666) USER MOD Single : A 34 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.028) USER MOD Single : A 40 GLN : amide:sc= -0.269 K(o=-0.27,f=-0.96) USER MOD Single : A 42 MET CE :methyl 156:sc= -1.44 (180deg=-2.81!) USER MOD Single : A 47 MET CE :methyl 140:sc= -1.6 (180deg=-4.09!) USER MOD Single : A 50 GLN : amide:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.511 3.873 -25.854 1.00 0.00 N ATOM 146 CA GLN A 13 -1.692 4.132 -26.669 1.00 0.00 C ATOM 147 C GLN A 13 -1.389 5.161 -27.754 1.00 0.00 C ATOM 148 O GLN A 13 -0.370 5.851 -27.704 1.00 0.00 O ATOM 149 CB GLN A 13 -2.846 4.621 -25.793 1.00 0.00 C ATOM 150 CG GLN A 13 -2.662 6.041 -25.282 1.00 0.00 C ATOM 151 CD GLN A 13 -3.661 6.406 -24.202 1.00 0.00 C ATOM 152 OE1 GLN A 13 -3.291 6.923 -23.147 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.936 6.139 -24.459 1.00 0.00 N ATOM 0 HA GLN A 13 -1.982 3.198 -27.150 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.773 4.566 -26.364 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.955 3.949 -24.942 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.651 6.154 -24.890 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.761 6.738 -26.114 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.198 5.710 -25.346 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.653 6.363 -23.769 1.00 0.00 H new ATOM 162 N THR A 14 -2.281 5.259 -28.735 1.00 0.00 N ATOM 163 CA THR A 14 -2.109 6.202 -29.832 1.00 0.00 C ATOM 164 C THR A 14 -3.265 7.194 -29.891 1.00 0.00 C ATOM 165 O THR A 14 -4.265 7.040 -29.189 1.00 0.00 O ATOM 166 CB THR A 14 -2.003 5.475 -31.186 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.281 4.953 -31.564 1.00 0.00 O ATOM 168 CG2 THR A 14 -0.988 4.345 -31.115 1.00 0.00 C ATOM 0 H THR A 14 -3.130 4.696 -28.792 1.00 0.00 H new ATOM 0 HA THR A 14 -1.180 6.741 -29.643 1.00 0.00 H new ATOM 0 HB THR A 14 -1.670 6.194 -31.934 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.205 4.494 -32.427 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.930 3.846 -32.083 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.010 4.750 -30.857 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.295 3.627 -30.355 1.00 0.00 H new ATOM 176 N VAL A 15 -3.123 8.213 -30.732 1.00 0.00 N ATOM 177 CA VAL A 15 -4.157 9.230 -30.884 1.00 0.00 C ATOM 178 C VAL A 15 -5.448 8.625 -31.422 1.00 0.00 C ATOM 179 O VAL A 15 -6.544 9.050 -31.058 1.00 0.00 O ATOM 180 CB VAL A 15 -3.699 10.359 -31.826 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.802 11.394 -31.994 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.425 11.006 -31.304 1.00 0.00 C ATOM 0 H VAL A 15 -2.301 8.357 -31.319 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.340 9.646 -29.893 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.485 9.928 -32.804 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.461 12.184 -32.663 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.687 10.918 -32.417 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.050 11.822 -31.023 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.116 11.801 -31.982 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.608 11.424 -30.314 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.636 10.257 -31.241 1.00 0.00 H new ATOM 192 N GLY A 16 -5.311 7.629 -32.292 1.00 0.00 N ATOM 193 CA GLY A 16 -6.475 6.981 -32.867 1.00 0.00 C ATOM 194 C GLY A 16 -7.309 6.259 -31.827 1.00 0.00 C ATOM 195 O GLY A 16 -8.521 6.460 -31.746 1.00 0.00 O ATOM 0 H GLY A 16 -4.415 7.259 -32.609 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.091 7.727 -33.369 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.153 6.270 -33.628 1.00 0.00 H new ATOM 199 N GLN A 17 -6.660 5.415 -31.031 1.00 0.00 N ATOM 200 CA GLN A 17 -7.352 4.659 -29.994 1.00 0.00 C ATOM 201 C GLN A 17 -7.739 5.564 -28.828 1.00 0.00 C ATOM 202 O GLN A 17 -8.783 5.374 -28.204 1.00 0.00 O ATOM 203 CB GLN A 17 -6.469 3.514 -29.494 1.00 0.00 C ATOM 204 CG GLN A 17 -6.322 2.379 -30.495 1.00 0.00 C ATOM 205 CD GLN A 17 -5.358 1.307 -30.024 1.00 0.00 C ATOM 206 OE1 GLN A 17 -5.556 0.697 -28.973 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.308 1.073 -30.802 1.00 0.00 N ATOM 0 H GLN A 17 -5.657 5.238 -31.084 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.262 4.245 -30.427 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.481 3.906 -29.254 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.889 3.120 -28.569 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.299 1.930 -30.676 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.975 2.782 -31.447 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.184 1.603 -31.665 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.625 0.363 -30.537 1.00 0.00 H new ATOM 216 N TRP A 18 -6.892 6.546 -28.541 1.00 0.00 N ATOM 217 CA TRP A 18 -7.146 7.479 -27.450 1.00 0.00 C ATOM 218 C TRP A 18 -8.493 8.171 -27.628 1.00 0.00 C ATOM 219 O TRP A 18 -9.238 8.360 -26.665 1.00 0.00 O ATOM 220 CB TRP A 18 -6.030 8.522 -27.373 1.00 0.00 C ATOM 221 CG TRP A 18 -6.278 9.583 -26.344 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.374 9.409 -24.993 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.465 10.982 -26.584 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.608 10.615 -24.379 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.667 11.596 -25.333 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.478 11.777 -27.734 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.882 12.966 -25.202 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.691 13.136 -27.603 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.890 13.719 -26.344 1.00 0.00 C ATOM 0 H TRP A 18 -6.024 6.717 -29.049 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.169 6.913 -26.519 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.089 8.020 -27.148 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.915 8.993 -28.349 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.280 8.462 -24.482 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.720 10.757 -23.375 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.324 11.337 -28.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.037 13.418 -24.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.704 13.759 -28.485 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.053 14.784 -26.274 1.00 0.00 H new ATOM 240 N LEU A 19 -8.802 8.547 -28.865 1.00 0.00 N ATOM 241 CA LEU A 19 -10.061 9.218 -29.169 1.00 0.00 C ATOM 242 C LEU A 19 -11.237 8.258 -29.028 1.00 0.00 C ATOM 243 O LEU A 19 -12.309 8.639 -28.558 1.00 0.00 O ATOM 244 CB LEU A 19 -10.024 9.795 -30.585 1.00 0.00 C ATOM 245 CG LEU A 19 -9.199 11.069 -30.770 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.609 11.124 -32.171 1.00 0.00 C ATOM 247 CD2 LEU A 19 -10.050 12.301 -30.499 1.00 0.00 C ATOM 0 H LEU A 19 -8.198 8.398 -29.673 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.193 10.031 -28.456 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.632 9.031 -31.257 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.047 10.000 -30.899 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.379 11.054 -30.052 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.025 12.037 -32.284 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.964 10.259 -32.328 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.414 11.115 -32.906 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.446 13.198 -30.636 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.892 12.321 -31.191 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.423 12.267 -29.475 1.00 0.00 H new ATOM 259 N GLU A 20 -11.029 7.011 -29.438 1.00 0.00 N ATOM 260 CA GLU A 20 -12.073 5.996 -29.356 1.00 0.00 C ATOM 261 C GLU A 20 -12.545 5.815 -27.916 1.00 0.00 C ATOM 262 O GLU A 20 -13.680 5.407 -27.670 1.00 0.00 O ATOM 263 CB GLU A 20 -11.564 4.663 -29.909 1.00 0.00 C ATOM 264 CG GLU A 20 -11.158 4.726 -31.372 1.00 0.00 C ATOM 265 CD GLU A 20 -11.747 3.593 -32.190 1.00 0.00 C ATOM 266 OE1 GLU A 20 -11.847 2.467 -31.658 1.00 0.00 O ATOM 267 OE2 GLU A 20 -12.107 3.832 -33.361 1.00 0.00 O ATOM 0 H GLU A 20 -10.148 6.679 -29.830 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.918 6.332 -29.957 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.709 4.337 -29.317 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.342 3.909 -29.789 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.479 5.679 -31.794 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.071 4.695 -31.445 1.00 0.00 H new ATOM 274 N SER A 21 -11.665 6.122 -26.969 1.00 0.00 N ATOM 275 CA SER A 21 -11.988 5.990 -25.553 1.00 0.00 C ATOM 276 C SER A 21 -12.990 7.057 -25.123 1.00 0.00 C ATOM 277 O SER A 21 -14.110 6.745 -24.717 1.00 0.00 O ATOM 278 CB SER A 21 -10.719 6.095 -24.706 1.00 0.00 C ATOM 279 OG SER A 21 -9.558 6.047 -25.518 1.00 0.00 O ATOM 0 H SER A 21 -10.722 6.464 -27.156 1.00 0.00 H new ATOM 0 HA SER A 21 -12.438 5.010 -25.399 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.732 7.026 -24.140 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.693 5.281 -23.981 1.00 0.00 H new ATOM 0 HG SER A 21 -9.200 6.952 -25.631 1.00 0.00 H new ATOM 285 N ILE A 22 -12.579 8.317 -25.215 1.00 0.00 N ATOM 286 CA ILE A 22 -13.439 9.431 -24.836 1.00 0.00 C ATOM 287 C ILE A 22 -14.791 9.343 -25.536 1.00 0.00 C ATOM 288 O ILE A 22 -15.819 9.718 -24.974 1.00 0.00 O ATOM 289 CB ILE A 22 -12.787 10.786 -25.172 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.313 10.802 -26.626 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.627 11.063 -24.227 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.674 12.110 -27.039 1.00 0.00 C ATOM 0 H ILE A 22 -11.655 8.592 -25.549 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.585 9.365 -23.758 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.530 11.573 -25.044 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.597 9.994 -26.775 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.162 10.600 -27.279 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.176 12.024 -24.476 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.992 11.089 -23.200 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.881 10.275 -24.326 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.362 12.049 -28.082 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.394 12.920 -26.922 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.805 12.305 -26.411 1.00 0.00 H new ATOM 304 N GLY A 23 -14.782 8.844 -26.769 1.00 0.00 N ATOM 305 CA GLY A 23 -16.014 8.714 -27.525 1.00 0.00 C ATOM 306 C GLY A 23 -16.150 9.776 -28.598 1.00 0.00 C ATOM 307 O GLY A 23 -17.223 10.353 -28.778 1.00 0.00 O ATOM 0 H GLY A 23 -13.944 8.528 -27.257 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.051 7.728 -27.988 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.863 8.779 -26.844 1.00 0.00 H new ATOM 311 N LEU A 24 -15.060 10.037 -29.311 1.00 0.00 N ATOM 312 CA LEU A 24 -15.062 11.039 -30.372 1.00 0.00 C ATOM 313 C LEU A 24 -14.065 10.674 -31.467 1.00 0.00 C ATOM 314 O LEU A 24 -13.045 11.337 -31.658 1.00 0.00 O ATOM 315 CB LEU A 24 -14.726 12.417 -29.799 1.00 0.00 C ATOM 316 CG LEU A 24 -15.853 13.123 -29.045 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.305 14.284 -28.230 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.922 13.608 -30.015 1.00 0.00 C ATOM 0 H LEU A 24 -14.164 9.569 -29.174 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.060 11.068 -30.810 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.876 12.311 -29.125 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.405 13.061 -30.618 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.309 12.408 -28.360 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.122 14.774 -27.700 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.577 13.911 -27.509 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.823 15.000 -28.895 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.716 14.108 -29.461 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.479 14.307 -30.725 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.337 12.757 -30.555 1.00 0.00 H new ATOM 330 N PRO A 25 -14.366 9.596 -32.206 1.00 0.00 N ATOM 331 CA PRO A 25 -13.510 9.121 -33.297 1.00 0.00 C ATOM 332 C PRO A 25 -13.518 10.065 -34.494 1.00 0.00 C ATOM 333 O PRO A 25 -12.573 10.090 -35.282 1.00 0.00 O ATOM 334 CB PRO A 25 -14.131 7.774 -33.674 1.00 0.00 C ATOM 335 CG PRO A 25 -15.557 7.885 -33.258 1.00 0.00 C ATOM 336 CD PRO A 25 -15.564 8.759 -32.034 1.00 0.00 C ATOM 0 HA PRO A 25 -12.465 9.055 -32.995 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.044 7.584 -34.744 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.632 6.951 -33.162 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.163 8.321 -34.052 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.977 6.903 -33.039 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.470 9.362 -31.976 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.514 8.169 -31.119 1.00 0.00 H new ATOM 344 N GLN A 26 -14.590 10.840 -34.623 1.00 0.00 N ATOM 345 CA GLN A 26 -14.720 11.786 -35.725 1.00 0.00 C ATOM 346 C GLN A 26 -13.529 12.737 -35.770 1.00 0.00 C ATOM 347 O GLN A 26 -13.185 13.268 -36.826 1.00 0.00 O ATOM 348 CB GLN A 26 -16.019 12.583 -35.591 1.00 0.00 C ATOM 349 CG GLN A 26 -15.991 13.607 -34.467 1.00 0.00 C ATOM 350 CD GLN A 26 -17.257 14.438 -34.403 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.603 15.138 -35.355 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.958 14.364 -33.278 1.00 0.00 N ATOM 0 H GLN A 26 -15.381 10.831 -33.979 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.744 11.219 -36.656 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.221 13.094 -36.532 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.844 11.891 -35.421 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.850 13.093 -33.516 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.134 14.267 -34.603 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.635 13.771 -32.514 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.820 14.900 -33.178 1.00 0.00 H new ATOM 361 N TYR A 27 -12.903 12.948 -34.617 1.00 0.00 N ATOM 362 CA TYR A 27 -11.751 13.837 -34.524 1.00 0.00 C ATOM 363 C TYR A 27 -10.447 13.053 -34.638 1.00 0.00 C ATOM 364 O TYR A 27 -9.467 13.357 -33.960 1.00 0.00 O ATOM 365 CB TYR A 27 -11.782 14.609 -33.204 1.00 0.00 C ATOM 366 CG TYR A 27 -13.016 15.465 -33.032 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.462 16.290 -34.056 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.737 15.448 -31.844 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.589 17.075 -33.903 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.865 16.228 -31.682 1.00 0.00 C ATOM 371 CZ TYR A 27 -15.287 17.040 -32.714 1.00 0.00 C ATOM 372 OH TYR A 27 -16.411 17.819 -32.557 1.00 0.00 O ATOM 0 H TYR A 27 -13.174 12.515 -33.734 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.802 14.544 -35.352 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.723 13.901 -32.377 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.898 15.244 -33.143 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.918 16.319 -34.989 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.409 14.814 -31.033 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.921 17.712 -34.709 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.414 16.202 -30.752 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.743 17.733 -31.639 1.00 0.00 H new ATOM 382 N GLU A 28 -10.445 12.043 -35.502 1.00 0.00 N ATOM 383 CA GLU A 28 -9.262 11.215 -35.706 1.00 0.00 C ATOM 384 C GLU A 28 -8.342 11.830 -36.756 1.00 0.00 C ATOM 385 O GLU A 28 -7.125 11.873 -36.581 1.00 0.00 O ATOM 386 CB GLU A 28 -9.668 9.803 -36.132 1.00 0.00 C ATOM 387 CG GLU A 28 -8.487 8.888 -36.410 1.00 0.00 C ATOM 388 CD GLU A 28 -8.256 8.669 -37.892 1.00 0.00 C ATOM 389 OE1 GLU A 28 -8.548 9.592 -38.681 1.00 0.00 O ATOM 390 OE2 GLU A 28 -7.784 7.574 -38.264 1.00 0.00 O ATOM 0 H GLU A 28 -11.249 11.778 -36.072 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.721 11.160 -34.761 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.284 9.360 -35.350 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.286 9.866 -37.027 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.588 9.315 -35.965 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.656 7.926 -35.926 1.00 0.00 H new ATOM 397 N ASN A 29 -8.933 12.304 -37.848 1.00 0.00 N ATOM 398 CA ASN A 29 -8.166 12.916 -38.927 1.00 0.00 C ATOM 399 C ASN A 29 -7.743 14.335 -38.558 1.00 0.00 C ATOM 400 O ASN A 29 -6.717 14.830 -39.026 1.00 0.00 O ATOM 401 CB ASN A 29 -8.990 12.937 -40.217 1.00 0.00 C ATOM 402 CG ASN A 29 -8.328 12.159 -41.338 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.971 11.359 -42.018 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.035 12.390 -41.535 1.00 0.00 N ATOM 0 H ASN A 29 -9.940 12.276 -38.009 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.268 12.318 -39.086 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.977 12.518 -40.021 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.139 13.969 -40.533 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.535 11.895 -42.274 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.542 13.062 -40.947 1.00 0.00 H new ATOM 411 N HIS A 30 -8.540 14.984 -37.715 1.00 0.00 N ATOM 412 CA HIS A 30 -8.248 16.345 -37.281 1.00 0.00 C ATOM 413 C HIS A 30 -6.834 16.444 -36.716 1.00 0.00 C ATOM 414 O HIS A 30 -5.959 17.075 -37.311 1.00 0.00 O ATOM 415 CB HIS A 30 -9.263 16.797 -36.231 1.00 0.00 C ATOM 416 CG HIS A 30 -10.411 17.571 -36.801 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.473 16.975 -37.449 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.662 18.901 -36.816 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.326 17.905 -37.840 1.00 0.00 C ATOM 420 NE2 HIS A 30 -11.857 19.082 -37.468 1.00 0.00 N ATOM 0 H HIS A 30 -9.393 14.589 -37.319 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.319 17.000 -38.149 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.649 15.921 -35.710 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.755 17.411 -35.488 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.039 19.675 -36.394 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.249 17.732 -38.373 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.309 19.980 -37.638 1.00 0.00 H new ATOM 428 N LEU A 31 -6.618 15.817 -35.565 1.00 0.00 N ATOM 429 CA LEU A 31 -5.310 15.834 -34.919 1.00 0.00 C ATOM 430 C LEU A 31 -4.234 15.290 -35.853 1.00 0.00 C ATOM 431 O LEU A 31 -3.177 15.899 -36.018 1.00 0.00 O ATOM 432 CB LEU A 31 -5.346 15.012 -33.630 1.00 0.00 C ATOM 433 CG LEU A 31 -6.197 15.580 -32.494 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.498 14.803 -32.361 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.424 15.557 -31.184 1.00 0.00 C ATOM 0 H LEU A 31 -7.331 15.291 -35.060 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.065 16.868 -34.677 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.715 14.015 -33.869 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.324 14.896 -33.268 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.439 16.616 -32.731 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.090 15.222 -31.547 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.060 14.873 -33.292 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.277 13.757 -32.148 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.046 15.965 -30.387 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.150 14.530 -30.941 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.521 16.159 -31.284 1.00 0.00 H new ATOM 447 N MET A 32 -4.511 14.142 -36.462 1.00 0.00 N ATOM 448 CA MET A 32 -3.568 13.519 -37.383 1.00 0.00 C ATOM 449 C MET A 32 -3.160 14.491 -38.485 1.00 0.00 C ATOM 450 O MET A 32 -2.068 14.388 -39.043 1.00 0.00 O ATOM 451 CB MET A 32 -4.180 12.259 -37.998 1.00 0.00 C ATOM 452 CG MET A 32 -4.246 11.083 -37.037 1.00 0.00 C ATOM 453 SD MET A 32 -3.043 9.798 -37.428 1.00 0.00 S ATOM 454 CE MET A 32 -2.825 9.038 -35.821 1.00 0.00 C ATOM 0 H MET A 32 -5.381 13.624 -36.334 1.00 0.00 H new ATOM 0 HA MET A 32 -2.677 13.243 -36.819 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.186 12.488 -38.349 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.596 11.971 -38.872 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.074 11.439 -36.021 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.249 10.656 -37.060 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.615 7.976 -35.946 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.992 9.514 -35.303 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.735 9.161 -35.234 1.00 0.00 H new ATOM 464 N ALA A 33 -4.045 15.433 -38.793 1.00 0.00 N ATOM 465 CA ALA A 33 -3.776 16.425 -39.828 1.00 0.00 C ATOM 466 C ALA A 33 -3.019 17.620 -39.259 1.00 0.00 C ATOM 467 O ALA A 33 -2.309 18.318 -39.981 1.00 0.00 O ATOM 468 CB ALA A 33 -5.076 16.880 -40.474 1.00 0.00 C ATOM 0 H ALA A 33 -4.954 15.531 -38.341 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.149 15.960 -40.589 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.860 17.620 -41.244 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.578 16.024 -40.924 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.723 17.323 -39.717 1.00 0.00 H new ATOM 474 N ASN A 34 -3.177 17.850 -37.959 1.00 0.00 N ATOM 475 CA ASN A 34 -2.509 18.963 -37.294 1.00 0.00 C ATOM 476 C ASN A 34 -1.205 18.506 -36.646 1.00 0.00 C ATOM 477 O ASN A 34 -0.828 18.987 -35.578 1.00 0.00 O ATOM 478 CB ASN A 34 -3.428 19.578 -36.237 1.00 0.00 C ATOM 479 CG ASN A 34 -4.569 20.366 -36.851 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.381 21.489 -37.318 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.760 19.779 -36.851 1.00 0.00 N ATOM 0 H ASN A 34 -3.761 17.281 -37.346 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.276 19.716 -38.046 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.834 18.786 -35.608 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.845 20.233 -35.589 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.566 20.261 -37.249 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.869 18.846 -36.453 1.00 0.00 H new ATOM 488 N GLY A 35 -0.519 17.574 -37.302 1.00 0.00 N ATOM 489 CA GLY A 35 0.735 17.068 -36.776 1.00 0.00 C ATOM 490 C GLY A 35 0.613 16.594 -35.341 1.00 0.00 C ATOM 491 O GLY A 35 1.422 16.959 -34.488 1.00 0.00 O ATOM 0 H GLY A 35 -0.810 17.161 -38.188 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.081 16.243 -37.400 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.492 17.850 -36.834 1.00 0.00 H new ATOM 495 N PHE A 36 -0.402 15.779 -35.074 1.00 0.00 N ATOM 496 CA PHE A 36 -0.629 15.256 -33.731 1.00 0.00 C ATOM 497 C PHE A 36 -0.886 13.753 -33.770 1.00 0.00 C ATOM 498 O PHE A 36 -2.018 13.301 -33.593 1.00 0.00 O ATOM 499 CB PHE A 36 -1.813 15.971 -33.076 1.00 0.00 C ATOM 500 CG PHE A 36 -1.425 17.222 -32.341 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.652 17.156 -31.193 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.834 18.465 -32.798 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.294 18.305 -30.514 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.478 19.617 -32.124 1.00 0.00 C ATOM 505 CZ PHE A 36 -0.708 19.538 -30.980 1.00 0.00 C ATOM 0 H PHE A 36 -1.080 15.466 -35.769 1.00 0.00 H new ATOM 0 HA PHE A 36 0.268 15.438 -33.140 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.545 16.222 -33.843 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.301 15.287 -32.381 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.325 16.195 -30.824 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.438 18.534 -33.691 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.309 18.239 -29.620 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.802 20.580 -32.492 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.430 20.438 -30.451 1.00 0.00 H new ATOM 515 N ASP A 37 0.171 12.983 -34.002 1.00 0.00 N ATOM 516 CA ASP A 37 0.062 11.530 -34.063 1.00 0.00 C ATOM 517 C ASP A 37 0.455 10.899 -32.731 1.00 0.00 C ATOM 518 O ASP A 37 0.003 9.805 -32.395 1.00 0.00 O ATOM 519 CB ASP A 37 0.944 10.978 -35.184 1.00 0.00 C ATOM 520 CG ASP A 37 0.972 9.462 -35.204 1.00 0.00 C ATOM 521 OD1 ASP A 37 1.628 8.869 -34.322 1.00 0.00 O ATOM 522 OD2 ASP A 37 0.338 8.870 -36.102 1.00 0.00 O ATOM 0 H ASP A 37 1.114 13.341 -34.151 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.977 11.276 -34.271 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.579 11.345 -36.144 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.959 11.356 -35.063 1.00 0.00 H new ATOM 527 N ASN A 38 1.299 11.596 -31.978 1.00 0.00 N ATOM 528 CA ASN A 38 1.755 11.102 -30.684 1.00 0.00 C ATOM 529 C ASN A 38 0.837 11.584 -29.564 1.00 0.00 C ATOM 530 O ASN A 38 0.887 12.747 -29.163 1.00 0.00 O ATOM 531 CB ASN A 38 3.189 11.562 -30.415 1.00 0.00 C ATOM 532 CG ASN A 38 4.062 10.446 -29.873 1.00 0.00 C ATOM 533 OD1 ASN A 38 5.083 10.097 -30.466 1.00 0.00 O ATOM 534 ND2 ASN A 38 3.662 9.880 -28.740 1.00 0.00 N ATOM 0 H ASN A 38 1.681 12.504 -32.241 1.00 0.00 H new ATOM 0 HA ASN A 38 1.729 10.013 -30.709 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.624 11.944 -31.338 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.175 12.387 -29.703 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.208 9.124 -28.327 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.809 10.202 -28.283 1.00 0.00 H new ATOM 541 N VAL A 39 -0.001 10.682 -29.064 1.00 0.00 N ATOM 542 CA VAL A 39 -0.929 11.014 -27.989 1.00 0.00 C ATOM 543 C VAL A 39 -0.207 11.117 -26.651 1.00 0.00 C ATOM 544 O VAL A 39 -0.606 11.886 -25.777 1.00 0.00 O ATOM 545 CB VAL A 39 -2.053 9.966 -27.875 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.493 8.633 -27.403 1.00 0.00 C ATOM 547 CG2 VAL A 39 -3.145 10.458 -26.937 1.00 0.00 C ATOM 0 H VAL A 39 -0.057 9.716 -29.386 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.367 11.981 -28.236 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.492 9.819 -28.862 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.301 7.905 -27.328 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.749 8.278 -28.116 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.027 8.760 -26.426 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.931 9.706 -26.868 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.723 10.634 -25.948 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.565 11.387 -27.323 1.00 0.00 H new ATOM 557 N GLN A 40 0.858 10.336 -26.498 1.00 0.00 N ATOM 558 CA GLN A 40 1.637 10.340 -25.265 1.00 0.00 C ATOM 559 C GLN A 40 2.156 11.740 -24.953 1.00 0.00 C ATOM 560 O GLN A 40 2.373 12.088 -23.793 1.00 0.00 O ATOM 561 CB GLN A 40 2.807 9.361 -25.373 1.00 0.00 C ATOM 562 CG GLN A 40 2.375 7.907 -25.486 1.00 0.00 C ATOM 563 CD GLN A 40 2.712 7.101 -24.247 1.00 0.00 C ATOM 564 OE1 GLN A 40 1.855 6.865 -23.394 1.00 0.00 O ATOM 565 NE2 GLN A 40 3.964 6.672 -24.141 1.00 0.00 N ATOM 0 H GLN A 40 1.201 9.693 -27.212 1.00 0.00 H new ATOM 0 HA GLN A 40 0.984 10.025 -24.451 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.409 9.621 -26.244 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.447 9.474 -24.498 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.300 7.864 -25.662 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.858 7.454 -26.352 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.642 6.891 -24.871 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.248 6.124 -23.329 1.00 0.00 H new ATOM 574 N PHE A 41 2.355 12.538 -25.997 1.00 0.00 N ATOM 575 CA PHE A 41 2.851 13.899 -25.835 1.00 0.00 C ATOM 576 C PHE A 41 1.786 14.795 -25.209 1.00 0.00 C ATOM 577 O PHE A 41 2.059 15.532 -24.261 1.00 0.00 O ATOM 578 CB PHE A 41 3.283 14.471 -27.187 1.00 0.00 C ATOM 579 CG PHE A 41 4.774 14.545 -27.357 1.00 0.00 C ATOM 580 CD1 PHE A 41 5.488 13.445 -27.807 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.461 15.713 -27.069 1.00 0.00 C ATOM 582 CE1 PHE A 41 6.859 13.510 -27.964 1.00 0.00 C ATOM 583 CE2 PHE A 41 6.833 15.783 -27.224 1.00 0.00 C ATOM 584 CZ PHE A 41 7.532 14.681 -27.673 1.00 0.00 C ATOM 0 H PHE A 41 2.180 12.265 -26.964 1.00 0.00 H new ATOM 0 HA PHE A 41 3.713 13.868 -25.169 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.864 13.856 -27.983 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.862 15.470 -27.301 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.967 12.528 -28.037 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.918 16.579 -26.719 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.404 12.646 -28.314 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.357 16.699 -26.994 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.604 14.734 -27.797 1.00 0.00 H new ATOM 594 N MET A 42 0.572 14.725 -25.745 1.00 0.00 N ATOM 595 CA MET A 42 -0.534 15.529 -25.239 1.00 0.00 C ATOM 596 C MET A 42 -0.743 15.288 -23.747 1.00 0.00 C ATOM 597 O MET A 42 -0.951 14.155 -23.315 1.00 0.00 O ATOM 598 CB MET A 42 -1.819 15.207 -26.004 1.00 0.00 C ATOM 599 CG MET A 42 -1.893 15.864 -27.372 1.00 0.00 C ATOM 600 SD MET A 42 -1.444 14.740 -28.708 1.00 0.00 S ATOM 601 CE MET A 42 -3.019 13.948 -29.027 1.00 0.00 C ATOM 0 H MET A 42 0.329 14.120 -26.529 1.00 0.00 H new ATOM 0 HA MET A 42 -0.285 16.580 -25.388 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.899 14.127 -26.124 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.675 15.526 -25.410 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.905 16.234 -27.539 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.230 16.729 -27.392 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.034 13.567 -30.048 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.159 13.122 -28.329 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.823 14.672 -28.898 1.00 0.00 H new ATOM 643 N VAL A 46 0.604 21.170 -24.393 1.00 0.00 N ATOM 644 CA VAL A 46 0.217 21.049 -25.793 1.00 0.00 C ATOM 645 C VAL A 46 -1.197 20.493 -25.926 1.00 0.00 C ATOM 646 O VAL A 46 -1.666 19.751 -25.064 1.00 0.00 O ATOM 647 CB VAL A 46 1.189 20.139 -26.567 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.079 18.702 -26.080 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.923 20.226 -28.062 1.00 0.00 C ATOM 0 HA VAL A 46 0.252 22.052 -26.219 1.00 0.00 H new ATOM 0 HB VAL A 46 2.207 20.483 -26.381 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.773 18.074 -26.639 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.323 18.658 -25.019 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.061 18.343 -26.233 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.619 19.577 -28.594 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.099 19.909 -28.269 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.059 21.255 -28.396 1.00 0.00 H new ATOM 659 N MET A 47 -1.870 20.856 -27.013 1.00 0.00 N ATOM 660 CA MET A 47 -3.230 20.392 -27.260 1.00 0.00 C ATOM 661 C MET A 47 -4.182 20.899 -26.182 1.00 0.00 C ATOM 662 O MET A 47 -4.995 20.142 -25.654 1.00 0.00 O ATOM 663 CB MET A 47 -3.268 18.864 -27.313 1.00 0.00 C ATOM 664 CG MET A 47 -4.467 18.311 -28.067 1.00 0.00 C ATOM 665 SD MET A 47 -4.298 18.474 -29.855 1.00 0.00 S ATOM 666 CE MET A 47 -5.400 19.849 -30.175 1.00 0.00 C ATOM 0 H MET A 47 -1.496 21.470 -27.737 1.00 0.00 H new ATOM 0 HA MET A 47 -3.554 20.790 -28.222 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.354 18.502 -27.785 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.278 18.474 -26.295 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.598 17.259 -27.813 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.368 18.832 -27.742 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.955 20.506 -30.922 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.354 19.473 -30.545 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.564 20.406 -29.253 1.00 0.00 H new ATOM 676 N GLU A 48 -4.074 22.185 -25.860 1.00 0.00 N ATOM 677 CA GLU A 48 -4.925 22.791 -24.843 1.00 0.00 C ATOM 678 C GLU A 48 -6.287 23.161 -25.424 1.00 0.00 C ATOM 679 O GLU A 48 -6.577 22.874 -26.585 1.00 0.00 O ATOM 680 CB GLU A 48 -4.252 24.035 -24.259 1.00 0.00 C ATOM 681 CG GLU A 48 -2.824 23.795 -23.799 1.00 0.00 C ATOM 682 CD GLU A 48 -2.127 25.072 -23.370 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.769 26.142 -23.414 1.00 0.00 O ATOM 684 OE2 GLU A 48 -0.939 25.000 -22.991 1.00 0.00 O ATOM 0 H GLU A 48 -3.406 22.826 -26.288 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.075 22.061 -24.048 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.255 24.826 -25.009 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.841 24.394 -23.415 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.828 23.090 -22.967 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.259 23.331 -24.607 1.00 0.00 H new ATOM 691 N ASP A 49 -7.118 23.800 -24.607 1.00 0.00 N ATOM 692 CA ASP A 49 -8.449 24.210 -25.038 1.00 0.00 C ATOM 693 C ASP A 49 -8.377 25.013 -26.334 1.00 0.00 C ATOM 694 O ASP A 49 -9.212 24.850 -27.222 1.00 0.00 O ATOM 695 CB ASP A 49 -9.129 25.039 -23.947 1.00 0.00 C ATOM 696 CG ASP A 49 -10.617 24.765 -23.856 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.221 24.415 -24.891 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.178 24.900 -22.748 1.00 0.00 O ATOM 0 H ASP A 49 -6.893 24.045 -23.643 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.038 23.311 -25.220 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.663 24.822 -22.986 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.969 26.099 -24.147 1.00 0.00 H new ATOM 703 N GLN A 50 -7.374 25.880 -26.431 1.00 0.00 N ATOM 704 CA GLN A 50 -7.195 26.710 -27.617 1.00 0.00 C ATOM 705 C GLN A 50 -6.715 25.873 -28.799 1.00 0.00 C ATOM 706 O GLN A 50 -7.206 26.022 -29.918 1.00 0.00 O ATOM 707 CB GLN A 50 -6.197 27.834 -27.334 1.00 0.00 C ATOM 708 CG GLN A 50 -6.479 29.108 -28.113 1.00 0.00 C ATOM 709 CD GLN A 50 -7.291 30.111 -27.318 1.00 0.00 C ATOM 710 OE1 GLN A 50 -6.746 30.879 -26.524 1.00 0.00 O ATOM 711 NE2 GLN A 50 -8.602 30.110 -27.526 1.00 0.00 N ATOM 0 H GLN A 50 -6.674 26.026 -25.704 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.160 27.147 -27.872 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.209 28.060 -26.268 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.192 27.486 -27.574 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.535 29.564 -28.410 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.014 28.858 -29.029 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.012 29.456 -28.193 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.199 30.763 -27.019 1.00 0.00 H new ATOM 720 N ASP A 51 -5.753 24.994 -28.543 1.00 0.00 N ATOM 721 CA ASP A 51 -5.206 24.133 -29.585 1.00 0.00 C ATOM 722 C ASP A 51 -6.312 23.329 -30.261 1.00 0.00 C ATOM 723 O ASP A 51 -6.183 22.926 -31.418 1.00 0.00 O ATOM 724 CB ASP A 51 -4.157 23.188 -28.998 1.00 0.00 C ATOM 725 CG ASP A 51 -2.972 23.930 -28.413 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.048 24.336 -27.234 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.967 24.103 -29.134 1.00 0.00 O ATOM 0 H ASP A 51 -5.335 24.859 -27.622 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.732 24.767 -30.334 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.617 22.576 -28.223 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.809 22.509 -29.776 1.00 0.00 H new ATOM 732 N LEU A 52 -7.399 23.099 -29.533 1.00 0.00 N ATOM 733 CA LEU A 52 -8.528 22.342 -30.061 1.00 0.00 C ATOM 734 C LEU A 52 -9.465 23.245 -30.856 1.00 0.00 C ATOM 735 O LEU A 52 -10.188 22.784 -31.741 1.00 0.00 O ATOM 736 CB LEU A 52 -9.295 21.669 -28.921 1.00 0.00 C ATOM 737 CG LEU A 52 -8.514 20.643 -28.100 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.019 20.610 -26.666 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.614 19.264 -28.735 1.00 0.00 C ATOM 0 H LEU A 52 -7.522 23.426 -28.575 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.138 21.575 -30.730 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.657 22.445 -28.246 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.172 21.177 -29.341 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.465 20.939 -28.087 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.451 19.874 -26.097 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.894 21.594 -26.213 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.075 20.339 -26.658 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.052 18.546 -28.137 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.660 18.959 -28.780 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.202 19.297 -29.744 1.00 0.00 H new ATOM 751 N LEU A 53 -9.447 24.535 -30.537 1.00 0.00 N ATOM 752 CA LEU A 53 -10.294 25.505 -31.224 1.00 0.00 C ATOM 753 C LEU A 53 -9.642 25.976 -32.520 1.00 0.00 C ATOM 754 O LEU A 53 -10.326 26.394 -33.453 1.00 0.00 O ATOM 755 CB LEU A 53 -10.571 26.703 -30.314 1.00 0.00 C ATOM 756 CG LEU A 53 -11.319 27.873 -30.954 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.756 27.484 -31.261 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.277 29.093 -30.046 1.00 0.00 C ATOM 0 H LEU A 53 -8.856 24.933 -29.808 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.237 25.017 -31.470 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.146 26.356 -29.455 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.619 27.072 -29.932 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.825 28.126 -31.892 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.272 28.329 -31.716 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.765 26.640 -31.950 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.262 27.204 -30.337 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.814 29.916 -30.517 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.746 28.853 -29.092 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.241 29.386 -29.877 1.00 0.00 H new ATOM 770 N GLU A 54 -8.316 25.903 -32.570 1.00 0.00 N ATOM 771 CA GLU A 54 -7.572 26.321 -33.752 1.00 0.00 C ATOM 772 C GLU A 54 -7.571 25.222 -34.811 1.00 0.00 C ATOM 773 O GLU A 54 -7.667 25.498 -36.007 1.00 0.00 O ATOM 774 CB GLU A 54 -6.134 26.684 -33.376 1.00 0.00 C ATOM 775 CG GLU A 54 -5.343 25.521 -32.802 1.00 0.00 C ATOM 776 CD GLU A 54 -3.937 25.916 -32.395 1.00 0.00 C ATOM 777 OE1 GLU A 54 -3.753 27.060 -31.928 1.00 0.00 O ATOM 778 OE2 GLU A 54 -3.020 25.081 -32.542 1.00 0.00 O ATOM 0 H GLU A 54 -7.735 25.558 -31.806 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.064 27.201 -34.167 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.620 27.061 -34.260 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.151 27.495 -32.648 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.869 25.121 -31.935 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.292 24.721 -33.541 1.00 0.00 H new ATOM 785 N ILE A 55 -7.461 23.976 -34.362 1.00 0.00 N ATOM 786 CA ILE A 55 -7.447 22.836 -35.269 1.00 0.00 C ATOM 787 C ILE A 55 -8.743 22.754 -36.069 1.00 0.00 C ATOM 788 O ILE A 55 -8.763 22.243 -37.188 1.00 0.00 O ATOM 789 CB ILE A 55 -7.242 21.513 -34.508 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.310 21.353 -33.423 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.849 21.462 -33.899 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.306 19.989 -32.769 1.00 0.00 C ATOM 0 H ILE A 55 -7.380 23.731 -33.375 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.610 22.986 -35.951 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.339 20.687 -35.212 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.157 22.114 -32.658 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.292 21.534 -33.861 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.720 20.521 -33.365 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.103 21.535 -34.690 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.725 22.293 -33.205 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.088 19.947 -32.011 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.490 19.223 -33.523 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.337 19.813 -32.301 1.00 0.00 H new ATOM 804 N GLY A 56 -9.824 23.263 -35.487 1.00 0.00 N ATOM 805 CA GLY A 56 -11.110 23.240 -36.160 1.00 0.00 C ATOM 806 C GLY A 56 -12.256 22.952 -35.210 1.00 0.00 C ATOM 807 O GLY A 56 -13.311 23.582 -35.292 1.00 0.00 O ATOM 0 H GLY A 56 -9.833 23.691 -34.561 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.279 24.200 -36.648 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.093 22.483 -36.944 1.00 0.00 H new ATOM 811 N ILE A 57 -12.051 21.998 -34.309 1.00 0.00 N ATOM 812 CA ILE A 57 -13.076 21.629 -33.341 1.00 0.00 C ATOM 813 C ILE A 57 -13.604 22.855 -32.604 1.00 0.00 C ATOM 814 O ILE A 57 -12.893 23.468 -31.807 1.00 0.00 O ATOM 815 CB ILE A 57 -12.540 20.616 -32.312 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.991 19.377 -33.021 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.635 20.230 -31.329 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.429 18.339 -32.075 1.00 0.00 C ATOM 0 H ILE A 57 -11.184 21.466 -34.229 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.889 21.168 -33.903 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.727 21.082 -31.755 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.787 18.925 -33.613 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.210 19.683 -33.717 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.241 19.514 -30.608 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.982 21.120 -30.804 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.467 19.780 -31.870 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.058 17.489 -32.647 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.611 18.775 -31.501 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.212 18.005 -31.395 1.00 0.00 H new ATOM 830 N LEU A 58 -14.856 23.208 -32.875 1.00 0.00 N ATOM 831 CA LEU A 58 -15.481 24.360 -32.236 1.00 0.00 C ATOM 832 C LEU A 58 -16.392 23.922 -31.094 1.00 0.00 C ATOM 833 O LEU A 58 -16.631 24.678 -30.153 1.00 0.00 O ATOM 834 CB LEU A 58 -16.281 25.165 -33.262 1.00 0.00 C ATOM 835 CG LEU A 58 -15.559 25.494 -34.569 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.418 26.394 -35.442 1.00 0.00 C ATOM 837 CD2 LEU A 58 -14.215 26.148 -34.285 1.00 0.00 C ATOM 0 H LEU A 58 -15.458 22.713 -33.533 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.691 24.989 -31.825 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.188 24.610 -33.501 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.592 26.100 -32.797 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.381 24.563 -35.108 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.887 26.617 -36.368 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.355 25.889 -35.674 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.628 27.323 -34.911 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.715 26.375 -35.226 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.370 27.070 -33.725 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.596 25.468 -33.700 1.00 0.00 H new ATOM 849 N ASN A 59 -16.896 22.696 -31.183 1.00 0.00 N ATOM 850 CA ASN A 59 -17.780 22.156 -30.156 1.00 0.00 C ATOM 851 C ASN A 59 -17.156 22.299 -28.771 1.00 0.00 C ATOM 852 O ASN A 59 -16.256 21.544 -28.404 1.00 0.00 O ATOM 853 CB ASN A 59 -18.087 20.684 -30.440 1.00 0.00 C ATOM 854 CG ASN A 59 -19.410 20.497 -31.156 1.00 0.00 C ATOM 855 OD1 ASN A 59 -20.469 20.836 -30.626 1.00 0.00 O ATOM 856 ND2 ASN A 59 -19.356 19.955 -32.367 1.00 0.00 N ATOM 0 H ASN A 59 -16.708 22.057 -31.956 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.710 22.725 -30.177 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.286 20.259 -31.045 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.104 20.131 -29.501 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -20.214 19.804 -32.897 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.456 19.689 -32.767 1.00 0.00 H new ATOM 863 N SER A 60 -17.640 23.273 -28.008 1.00 0.00 N ATOM 864 CA SER A 60 -17.127 23.518 -26.665 1.00 0.00 C ATOM 865 C SER A 60 -17.290 22.281 -25.787 1.00 0.00 C ATOM 866 O SER A 60 -16.364 21.878 -25.084 1.00 0.00 O ATOM 867 CB SER A 60 -17.850 24.707 -26.029 1.00 0.00 C ATOM 868 OG SER A 60 -17.013 25.376 -25.102 1.00 0.00 O ATOM 0 H SER A 60 -18.386 23.905 -28.296 1.00 0.00 H new ATOM 0 HA SER A 60 -16.065 23.748 -26.745 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.166 25.403 -26.806 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.752 24.361 -25.525 1.00 0.00 H new ATOM 0 HG SER A 60 -17.497 26.133 -24.711 1.00 0.00 H new ATOM 874 N GLY A 61 -18.476 21.681 -25.834 1.00 0.00 N ATOM 875 CA GLY A 61 -18.740 20.496 -25.039 1.00 0.00 C ATOM 876 C GLY A 61 -17.725 19.397 -25.282 1.00 0.00 C ATOM 877 O GLY A 61 -17.422 18.613 -24.382 1.00 0.00 O ATOM 0 H GLY A 61 -19.258 21.995 -26.408 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.736 20.763 -23.982 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.738 20.122 -25.270 1.00 0.00 H new ATOM 881 N HIS A 62 -17.198 19.339 -26.501 1.00 0.00 N ATOM 882 CA HIS A 62 -16.210 18.327 -26.859 1.00 0.00 C ATOM 883 C HIS A 62 -14.813 18.750 -26.417 1.00 0.00 C ATOM 884 O HIS A 62 -14.078 17.967 -25.815 1.00 0.00 O ATOM 885 CB HIS A 62 -16.227 18.079 -28.367 1.00 0.00 C ATOM 886 CG HIS A 62 -17.427 17.314 -28.835 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.694 17.073 -30.167 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.433 16.733 -28.141 1.00 0.00 C ATOM 889 CE1 HIS A 62 -18.813 16.379 -30.271 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.281 16.158 -29.055 1.00 0.00 N ATOM 0 H HIS A 62 -17.438 19.980 -27.257 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.470 17.403 -26.343 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.193 19.037 -28.885 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.326 17.533 -28.647 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.548 16.723 -27.067 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.268 16.048 -31.193 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.133 15.644 -28.832 1.00 0.00 H new ATOM 898 N ARG A 63 -14.453 19.993 -26.720 1.00 0.00 N ATOM 899 CA ARG A 63 -13.143 20.520 -26.356 1.00 0.00 C ATOM 900 C ARG A 63 -12.876 20.329 -24.865 1.00 0.00 C ATOM 901 O ARG A 63 -11.735 20.128 -24.451 1.00 0.00 O ATOM 902 CB ARG A 63 -13.048 22.003 -26.716 1.00 0.00 C ATOM 903 CG ARG A 63 -13.069 22.269 -28.213 1.00 0.00 C ATOM 904 CD ARG A 63 -12.328 23.550 -28.561 1.00 0.00 C ATOM 905 NE ARG A 63 -13.228 24.583 -29.067 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.966 25.362 -28.284 1.00 0.00 C ATOM 907 NH1 ARG A 63 -13.911 25.225 -26.966 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.762 26.279 -28.818 1.00 0.00 N ATOM 0 H ARG A 63 -15.050 20.654 -27.217 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.388 19.968 -26.917 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.877 22.535 -26.249 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.129 22.412 -26.296 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.614 21.430 -28.739 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.101 22.339 -28.557 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.811 23.921 -27.676 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.565 23.336 -29.309 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.293 24.713 -30.077 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.301 24.520 -26.552 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.479 25.824 -26.367 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.808 26.387 -29.831 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.328 26.876 -28.215 1.00 0.00 H new ATOM 922 N GLN A 64 -13.936 20.395 -24.066 1.00 0.00 N ATOM 923 CA GLN A 64 -13.815 20.231 -22.623 1.00 0.00 C ATOM 924 C GLN A 64 -13.552 18.773 -22.260 1.00 0.00 C ATOM 925 O GLN A 64 -12.710 18.476 -21.412 1.00 0.00 O ATOM 926 CB GLN A 64 -15.084 20.721 -21.924 1.00 0.00 C ATOM 927 CG GLN A 64 -15.116 22.225 -21.704 1.00 0.00 C ATOM 928 CD GLN A 64 -15.401 22.598 -20.262 1.00 0.00 C ATOM 929 OE1 GLN A 64 -14.485 22.871 -19.486 1.00 0.00 O ATOM 930 NE2 GLN A 64 -16.677 22.612 -19.896 1.00 0.00 N ATOM 0 H GLN A 64 -14.888 20.561 -24.394 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.968 20.829 -22.286 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.951 20.431 -22.518 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.175 20.219 -20.961 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.159 22.653 -22.004 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.878 22.666 -22.347 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -17.404 22.379 -20.572 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.930 22.856 -18.939 1.00 0.00 H new ATOM 939 N ARG A 65 -14.277 17.867 -22.908 1.00 0.00 N ATOM 940 CA ARG A 65 -14.123 16.440 -22.653 1.00 0.00 C ATOM 941 C ARG A 65 -12.722 15.968 -23.031 1.00 0.00 C ATOM 942 O ARG A 65 -12.138 15.121 -22.355 1.00 0.00 O ATOM 943 CB ARG A 65 -15.169 15.645 -23.435 1.00 0.00 C ATOM 944 CG ARG A 65 -16.476 15.453 -22.683 1.00 0.00 C ATOM 945 CD ARG A 65 -17.598 15.025 -23.616 1.00 0.00 C ATOM 946 NE ARG A 65 -18.158 13.729 -23.240 1.00 0.00 N ATOM 947 CZ ARG A 65 -19.046 13.071 -23.977 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.472 13.584 -25.123 1.00 0.00 N ATOM 949 NH2 ARG A 65 -19.509 11.897 -23.568 1.00 0.00 N ATOM 0 H ARG A 65 -14.977 18.096 -23.614 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.270 16.269 -21.586 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.373 16.156 -24.376 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.757 14.668 -23.686 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.342 14.702 -21.905 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.750 16.383 -22.185 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.386 15.778 -23.604 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.221 14.974 -24.637 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.850 13.307 -22.364 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.118 14.486 -25.441 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.154 13.076 -25.687 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -19.183 11.499 -22.687 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -20.191 11.392 -24.134 1.00 0.00 H new ATOM 963 N ILE A 66 -12.189 16.522 -24.115 1.00 0.00 N ATOM 964 CA ILE A 66 -10.858 16.159 -24.582 1.00 0.00 C ATOM 965 C ILE A 66 -9.783 16.658 -23.623 1.00 0.00 C ATOM 966 O ILE A 66 -8.787 15.976 -23.379 1.00 0.00 O ATOM 967 CB ILE A 66 -10.580 16.725 -25.987 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.624 16.215 -26.982 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.178 16.349 -26.442 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.573 16.915 -28.323 1.00 0.00 C ATOM 0 H ILE A 66 -12.659 17.224 -24.686 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.825 15.070 -24.625 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.647 17.812 -25.944 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.478 15.146 -27.134 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.617 16.343 -26.552 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.997 16.756 -27.437 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.447 16.757 -25.744 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.084 15.263 -26.472 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.341 16.503 -28.978 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.749 17.982 -28.184 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.592 16.765 -28.774 1.00 0.00 H new ATOM 982 N LEU A 67 -9.991 17.852 -23.080 1.00 0.00 N ATOM 983 CA LEU A 67 -9.041 18.444 -22.144 1.00 0.00 C ATOM 984 C LEU A 67 -8.749 17.492 -20.989 1.00 0.00 C ATOM 985 O LEU A 67 -7.592 17.247 -20.652 1.00 0.00 O ATOM 986 CB LEU A 67 -9.584 19.768 -21.604 1.00 0.00 C ATOM 987 CG LEU A 67 -9.098 21.032 -22.314 1.00 0.00 C ATOM 988 CD1 LEU A 67 -9.962 22.224 -21.933 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.637 21.302 -21.982 1.00 0.00 C ATOM 0 H LEU A 67 -10.809 18.430 -23.272 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.110 18.632 -22.680 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.672 19.741 -21.658 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.319 19.843 -20.549 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.183 20.877 -23.390 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.601 23.114 -22.448 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.995 22.032 -22.222 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.910 22.382 -20.856 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.308 22.205 -22.496 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.527 21.436 -20.906 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.028 20.458 -22.306 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.808 16.957 -20.388 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.664 16.030 -19.272 1.00 0.00 C ATOM 1003 C GLN A 68 -8.808 14.832 -19.666 1.00 0.00 C ATOM 1004 O GLN A 68 -7.845 14.492 -18.979 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.039 15.556 -18.796 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.353 15.944 -17.360 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.464 15.107 -16.759 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -12.267 14.419 -15.757 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -13.642 15.160 -17.370 1.00 0.00 N ATOM 0 H GLN A 68 -10.773 17.150 -20.655 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.166 16.556 -18.457 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.804 15.972 -19.451 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.093 14.471 -18.891 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.454 15.836 -16.754 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.637 16.996 -17.326 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.761 15.744 -18.198 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.427 14.617 -17.011 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.166 14.194 -20.776 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.429 13.034 -21.262 1.00 0.00 C ATOM 1020 C ALA A 69 -6.943 13.347 -21.403 1.00 0.00 C ATOM 1021 O ALA A 69 -6.091 12.525 -21.064 1.00 0.00 O ATOM 1022 CB ALA A 69 -9.000 12.566 -22.592 1.00 0.00 C ATOM 0 H ALA A 69 -9.962 14.461 -21.355 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.537 12.233 -20.530 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.440 11.699 -22.943 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.047 12.293 -22.463 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.922 13.370 -23.324 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.639 14.539 -21.905 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.256 14.960 -22.090 1.00 0.00 C ATOM 1030 C ILE A 70 -4.582 15.236 -20.751 1.00 0.00 C ATOM 1031 O ILE A 70 -3.368 15.083 -20.613 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.164 16.221 -22.969 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.803 15.966 -24.335 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.713 16.650 -23.129 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.146 17.232 -25.088 1.00 0.00 C ATOM 0 H ILE A 70 -7.332 15.230 -22.191 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.741 14.140 -22.591 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.710 17.027 -22.479 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.122 15.367 -24.939 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.710 15.377 -24.198 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.664 17.543 -23.753 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.288 16.868 -22.149 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.146 15.847 -23.600 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.595 16.974 -26.047 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.852 17.823 -24.504 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.239 17.812 -25.256 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.377 15.643 -19.767 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.857 15.939 -18.437 1.00 0.00 C ATOM 1049 C GLN A 71 -4.477 14.658 -17.703 1.00 0.00 C ATOM 1050 O GLN A 71 -3.594 14.661 -16.844 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.891 16.720 -17.624 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.626 18.216 -17.580 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.941 18.824 -16.227 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -6.933 19.535 -16.069 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -5.094 18.547 -15.242 1.00 0.00 N ATOM 0 H GLN A 71 -6.384 15.775 -19.865 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.961 16.549 -18.553 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.880 16.547 -18.048 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.908 16.332 -16.605 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.580 18.403 -17.824 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.225 18.710 -18.345 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.284 17.953 -15.418 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.254 18.929 -14.310 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.149 13.564 -18.046 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.882 12.274 -17.419 1.00 0.00 C ATOM 1066 C LEU A 72 -3.743 11.549 -18.129 1.00 0.00 C ATOM 1067 O LEU A 72 -3.048 10.726 -17.531 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.142 11.408 -17.433 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.385 12.019 -16.786 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.609 11.161 -17.063 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.178 12.188 -15.288 1.00 0.00 C ATOM 0 H LEU A 72 -5.882 13.545 -18.755 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.584 12.454 -16.386 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.379 11.164 -18.469 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.918 10.469 -16.927 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.551 13.003 -17.223 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.483 11.612 -16.594 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.769 11.092 -18.139 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.453 10.162 -16.655 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.073 12.624 -14.844 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.985 11.215 -14.835 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.327 12.846 -15.110 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.557 11.860 -19.407 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.501 11.239 -20.199 1.00 0.00 C ATOM 1085 C LEU A 73 -1.153 11.354 -19.494 1.00 0.00 C ATOM 1086 O LEU A 73 -0.949 12.202 -18.626 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.424 11.889 -21.581 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.410 11.365 -22.626 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.343 12.205 -23.892 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -3.128 9.903 -22.938 1.00 0.00 C ATOM 0 H LEU A 73 -4.123 12.538 -19.917 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.741 10.182 -20.315 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.584 12.961 -21.465 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.413 11.757 -21.966 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.418 11.441 -22.218 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.051 11.817 -24.624 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.594 13.239 -23.656 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.335 12.162 -24.304 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.839 9.546 -23.683 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.114 9.803 -23.326 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.228 9.311 -22.028 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.209 10.481 -19.877 1.00 0.00 N ATOM 1103 CA PRO A 74 1.137 10.466 -19.297 1.00 0.00 C ATOM 1104 C PRO A 74 1.959 11.684 -19.706 1.00 0.00 C ATOM 1105 O PRO A 74 2.289 11.856 -20.879 1.00 0.00 O ATOM 1106 CB PRO A 74 1.756 9.188 -19.868 1.00 0.00 C ATOM 1107 CG PRO A 74 1.017 8.945 -21.139 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.382 9.442 -20.906 1.00 0.00 C ATOM 0 HA PRO A 74 1.111 10.494 -18.208 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.824 9.312 -20.048 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.644 8.351 -19.178 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.485 9.473 -21.970 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.017 7.885 -21.394 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.821 9.848 -21.817 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.040 8.643 -20.564 1.00 0.00 H new