USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 MET CE :methyl -166:sc= -1.41 (180deg=-1.79!) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0728 F(o=-1.1,f=-0.073) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.104 F(o=-1.8!,f=-0.1) USER MOD Single : A 23 ASN : amide:sc=-0.000121 X(o=-0.00012,f=-0.21) USER MOD Single : A 24 ASN : amide:sc= -0.0323 K(o=-0.032,f=-0.98) USER MOD Single : A 34 SER OG : rot 115:sc= 1.26 USER MOD Single : A 39 SER OG : rot 180:sc= -0.054 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.838 F(o=-1.4,f=-0.84) USER MOD Single : A 44 THR OG1 : rot -70:sc= 0.538 USER MOD Single : A 48 THR OG1 : rot 78:sc= -1.03! USER MOD Single : A 49 SER OG : rot 110:sc= 0.224 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.4!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 81 GLN : amide:sc=-0.00802 K(o=-0.008,f=-3.2!) USER MOD Single : B 84 MET CE :methyl -170:sc= -0.0461 (180deg=-0.23) USER MOD Single : B 85 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.0037) USER MOD Single : B 86 HIS : no HD1:sc= -0.764! C(o=-0.76!,f=-6.2!) USER MOD Single : B 90 HIS : no HD1:sc= -3.04! X(o=-3!,f=-2.7) USER MOD Single : B 93 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.536 10.714 -3.115 1.00 0.00 N ATOM 169 CA VAL A 12 -0.396 10.183 -1.752 1.00 0.00 C ATOM 170 C VAL A 12 0.917 10.614 -1.080 1.00 0.00 C ATOM 171 O VAL A 12 0.942 11.467 -0.195 1.00 0.00 O ATOM 172 CB VAL A 12 -0.483 8.635 -1.740 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.645 8.109 -0.324 1.00 0.00 C ATOM 174 CG2 VAL A 12 -1.612 8.141 -2.637 1.00 0.00 C ATOM 0 HA VAL A 12 -1.225 10.604 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 12 0.454 8.246 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.703 7.021 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.211 8.415 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.559 8.513 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.649 7.052 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.561 8.546 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.435 8.472 -3.660 1.00 0.00 H new ATOM 184 N GLY A 13 1.990 10.023 -1.555 1.00 0.00 N ATOM 185 CA GLY A 13 3.306 10.166 -0.982 1.00 0.00 C ATOM 186 C GLY A 13 4.156 9.032 -1.494 1.00 0.00 C ATOM 187 O GLY A 13 4.981 8.468 -0.783 1.00 0.00 O ATOM 0 H GLY A 13 1.969 9.414 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.742 11.126 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.253 10.143 0.106 1.00 0.00 H new ATOM 191 N TRP A 14 3.913 8.705 -2.754 1.00 0.00 N ATOM 192 CA TRP A 14 4.405 7.490 -3.367 1.00 0.00 C ATOM 193 C TRP A 14 5.160 7.806 -4.651 1.00 0.00 C ATOM 194 O TRP A 14 4.793 8.725 -5.388 1.00 0.00 O ATOM 195 CB TRP A 14 3.198 6.581 -3.651 1.00 0.00 C ATOM 196 CG TRP A 14 3.479 5.412 -4.545 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.968 4.197 -4.174 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.256 5.345 -5.959 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.078 3.379 -5.271 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.648 4.062 -6.380 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.774 6.250 -6.911 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.562 3.658 -7.709 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.692 5.847 -8.231 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.085 4.562 -8.619 1.00 0.00 C ATOM 0 H TRP A 14 3.361 9.287 -3.384 1.00 0.00 H new ATOM 0 HA TRP A 14 5.102 6.985 -2.698 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.812 6.208 -2.702 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.408 7.182 -4.102 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.231 3.917 -3.164 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.423 2.419 -5.263 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.472 7.245 -6.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.861 2.665 -8.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.318 6.536 -8.974 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.010 4.277 -9.658 1.00 0.00 H new ATOM 215 N ASP A 15 6.220 7.061 -4.905 1.00 0.00 N ATOM 216 CA ASP A 15 6.953 7.189 -6.151 1.00 0.00 C ATOM 217 C ASP A 15 7.041 5.826 -6.826 1.00 0.00 C ATOM 218 O ASP A 15 7.345 4.834 -6.173 1.00 0.00 O ATOM 219 CB ASP A 15 8.351 7.750 -5.908 1.00 0.00 C ATOM 220 CG ASP A 15 8.978 8.292 -7.174 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.720 9.463 -7.513 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.741 7.545 -7.827 1.00 0.00 O ATOM 0 H ASP A 15 6.593 6.360 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 15 6.423 7.885 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.298 8.544 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.988 6.968 -5.495 1.00 0.00 H new ATOM 227 N PRO A 16 6.773 5.768 -8.137 1.00 0.00 N ATOM 228 CA PRO A 16 6.632 4.517 -8.894 1.00 0.00 C ATOM 229 C PRO A 16 7.716 3.476 -8.607 1.00 0.00 C ATOM 230 O PRO A 16 7.408 2.313 -8.345 1.00 0.00 O ATOM 231 CB PRO A 16 6.700 4.965 -10.363 1.00 0.00 C ATOM 232 CG PRO A 16 7.032 6.424 -10.338 1.00 0.00 C ATOM 233 CD PRO A 16 6.588 6.931 -8.999 1.00 0.00 C ATOM 0 HA PRO A 16 5.706 4.012 -8.618 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.458 4.402 -10.907 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.750 4.790 -10.868 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.101 6.582 -10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.522 6.953 -11.143 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.187 7.779 -8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.549 7.262 -9.015 1.00 0.00 H new ATOM 241 N GLN A 17 8.977 3.888 -8.648 1.00 0.00 N ATOM 242 CA GLN A 17 10.080 2.945 -8.526 1.00 0.00 C ATOM 243 C GLN A 17 10.711 2.987 -7.127 1.00 0.00 C ATOM 244 O GLN A 17 11.642 2.235 -6.833 1.00 0.00 O ATOM 245 CB GLN A 17 11.119 3.250 -9.603 1.00 0.00 C ATOM 246 CG GLN A 17 12.169 2.162 -9.786 1.00 0.00 C ATOM 247 CD GLN A 17 11.586 0.859 -10.311 1.00 0.00 C ATOM 248 OE1 GLN A 17 10.544 0.952 -11.125 1.00 0.00 O flip ATOM 249 NE2 GLN A 17 12.086 -0.226 -10.007 1.00 0.00 N flip ATOM 0 H GLN A 17 9.259 4.861 -8.764 1.00 0.00 H new ATOM 0 HA GLN A 17 9.695 1.935 -8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.606 3.407 -10.552 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.621 4.185 -9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.935 2.516 -10.476 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.662 1.975 -8.832 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.888 -0.260 -9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.698 -1.090 -10.385 1.00 0.00 H new ATOM 258 N ASN A 18 10.203 3.856 -6.261 1.00 0.00 N ATOM 259 CA ASN A 18 10.751 3.981 -4.908 1.00 0.00 C ATOM 260 C ASN A 18 9.763 3.502 -3.853 1.00 0.00 C ATOM 261 O ASN A 18 10.155 3.092 -2.762 1.00 0.00 O ATOM 262 CB ASN A 18 11.170 5.420 -4.613 1.00 0.00 C ATOM 263 CG ASN A 18 12.433 5.827 -5.352 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.315 4.870 -5.603 1.00 0.00 O flip ATOM 265 ND2 ASN A 18 12.615 6.992 -5.696 1.00 0.00 N flip ATOM 0 H ASN A 18 9.422 4.480 -6.464 1.00 0.00 H new ATOM 0 HA ASN A 18 11.633 3.342 -4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.359 6.094 -4.890 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.328 5.535 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.913 7.702 -5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.468 7.250 -6.193 1.00 0.00 H new ATOM 272 N GLY A 19 8.484 3.558 -4.179 1.00 0.00 N ATOM 273 CA GLY A 19 7.469 3.091 -3.267 1.00 0.00 C ATOM 274 C GLY A 19 6.862 4.214 -2.456 1.00 0.00 C ATOM 275 O GLY A 19 7.062 5.392 -2.760 1.00 0.00 O ATOM 0 H GLY A 19 8.130 3.921 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.683 2.587 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.902 2.352 -2.593 1.00 0.00 H new ATOM 279 N PHE A 20 6.115 3.843 -1.428 1.00 0.00 N ATOM 280 CA PHE A 20 5.481 4.802 -0.538 1.00 0.00 C ATOM 281 C PHE A 20 6.507 5.387 0.416 1.00 0.00 C ATOM 282 O PHE A 20 7.387 4.677 0.905 1.00 0.00 O ATOM 283 CB PHE A 20 4.371 4.132 0.286 1.00 0.00 C ATOM 284 CG PHE A 20 3.134 3.767 -0.490 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.186 4.727 -0.813 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.931 2.463 -0.916 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.062 4.391 -1.542 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.810 2.123 -1.645 1.00 0.00 C ATOM 289 CZ PHE A 20 0.826 3.097 -1.887 1.00 0.00 C ATOM 0 H PHE A 20 5.931 2.869 -1.187 1.00 0.00 H new ATOM 0 HA PHE A 20 5.048 5.592 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.774 3.229 0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.088 4.802 1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.328 5.748 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.660 1.704 -0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.366 5.161 -1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.690 1.119 -2.026 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.112 2.819 -2.344 1.00 0.00 H new ATOM 299 N ASP A 21 6.395 6.676 0.677 1.00 0.00 N ATOM 300 CA ASP A 21 7.228 7.310 1.677 1.00 0.00 C ATOM 301 C ASP A 21 6.785 6.855 3.051 1.00 0.00 C ATOM 302 O ASP A 21 5.823 7.379 3.608 1.00 0.00 O ATOM 303 CB ASP A 21 7.158 8.838 1.596 1.00 0.00 C ATOM 304 CG ASP A 21 7.939 9.408 0.431 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.930 8.775 0.007 1.00 0.00 O ATOM 306 OD2 ASP A 21 7.551 10.476 -0.089 1.00 0.00 O ATOM 0 H ASP A 21 5.737 7.301 0.211 1.00 0.00 H new ATOM 0 HA ASP A 21 8.261 7.017 1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.115 9.144 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.540 9.263 2.524 1.00 0.00 H new ATOM 311 N VAL A 22 7.484 5.868 3.585 1.00 0.00 N ATOM 312 CA VAL A 22 7.163 5.310 4.891 1.00 0.00 C ATOM 313 C VAL A 22 7.389 6.324 6.011 1.00 0.00 C ATOM 314 O VAL A 22 7.046 6.077 7.166 1.00 0.00 O ATOM 315 CB VAL A 22 7.976 4.030 5.160 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.504 2.904 4.251 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.464 4.275 4.958 1.00 0.00 C ATOM 0 H VAL A 22 8.286 5.432 3.130 1.00 0.00 H new ATOM 0 HA VAL A 22 6.103 5.055 4.878 1.00 0.00 H new ATOM 0 HB VAL A 22 7.815 3.740 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.087 2.005 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.450 2.702 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.637 3.197 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.014 3.355 5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.644 4.593 3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.801 5.053 5.643 1.00 0.00 H new ATOM 327 N ASN A 23 7.957 7.468 5.656 1.00 0.00 N ATOM 328 CA ASN A 23 8.150 8.561 6.600 1.00 0.00 C ATOM 329 C ASN A 23 7.043 9.602 6.436 1.00 0.00 C ATOM 330 O ASN A 23 6.907 10.513 7.249 1.00 0.00 O ATOM 331 CB ASN A 23 9.521 9.209 6.381 1.00 0.00 C ATOM 332 CG ASN A 23 9.600 9.977 5.075 1.00 0.00 C ATOM 333 OD1 ASN A 23 9.806 9.391 4.009 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.469 11.291 5.150 1.00 0.00 N ATOM 0 H ASN A 23 8.295 7.664 4.714 1.00 0.00 H new ATOM 0 HA ASN A 23 8.107 8.162 7.613 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.736 9.884 7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.290 8.437 6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.538 11.859 4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.299 11.736 6.052 1.00 0.00 H new ATOM 341 N ASN A 24 6.253 9.454 5.376 1.00 0.00 N ATOM 342 CA ASN A 24 5.140 10.361 5.097 1.00 0.00 C ATOM 343 C ASN A 24 3.824 9.602 5.124 1.00 0.00 C ATOM 344 O ASN A 24 2.790 10.107 4.679 1.00 0.00 O ATOM 345 CB ASN A 24 5.306 11.027 3.726 1.00 0.00 C ATOM 346 CG ASN A 24 6.333 12.139 3.718 1.00 0.00 C ATOM 347 OD1 ASN A 24 6.509 12.850 4.710 1.00 0.00 O ATOM 348 ND2 ASN A 24 7.020 12.296 2.598 1.00 0.00 N ATOM 0 H ASN A 24 6.364 8.708 4.690 1.00 0.00 H new ATOM 0 HA ASN A 24 5.136 11.132 5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.594 10.271 2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.344 11.428 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.727 13.028 2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.842 11.685 1.801 1.00 0.00 H new ATOM 355 N LEU A 25 3.868 8.390 5.659 1.00 0.00 N ATOM 356 CA LEU A 25 2.707 7.515 5.668 1.00 0.00 C ATOM 357 C LEU A 25 1.592 8.079 6.535 1.00 0.00 C ATOM 358 O LEU A 25 1.819 8.530 7.661 1.00 0.00 O ATOM 359 CB LEU A 25 3.089 6.112 6.156 1.00 0.00 C ATOM 360 CG LEU A 25 3.685 5.189 5.093 1.00 0.00 C ATOM 361 CD1 LEU A 25 4.127 3.876 5.714 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.672 4.928 3.994 1.00 0.00 C ATOM 0 H LEU A 25 4.699 7.990 6.094 1.00 0.00 H new ATOM 0 HA LEU A 25 2.342 7.448 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.807 6.212 6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.201 5.635 6.570 1.00 0.00 H new ATOM 0 HG LEU A 25 4.556 5.681 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.549 3.232 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.881 4.070 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.269 3.382 6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.110 4.269 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.787 4.455 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.390 5.872 3.527 1.00 0.00 H new ATOM 374 N ASP A 26 0.391 8.080 5.974 1.00 0.00 N ATOM 375 CA ASP A 26 -0.801 8.503 6.690 1.00 0.00 C ATOM 376 C ASP A 26 -1.188 7.441 7.712 1.00 0.00 C ATOM 377 O ASP A 26 -1.104 6.248 7.434 1.00 0.00 O ATOM 378 CB ASP A 26 -1.951 8.726 5.703 1.00 0.00 C ATOM 379 CG ASP A 26 -3.205 9.228 6.383 1.00 0.00 C ATOM 380 OD1 ASP A 26 -4.003 8.394 6.860 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.395 10.460 6.449 1.00 0.00 O ATOM 0 H ASP A 26 0.217 7.788 5.012 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.596 9.440 7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.641 9.444 4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.170 7.791 5.187 1.00 0.00 H new ATOM 386 N PRO A 27 -1.583 7.882 8.919 1.00 0.00 N ATOM 387 CA PRO A 27 -1.966 6.999 10.030 1.00 0.00 C ATOM 388 C PRO A 27 -2.979 5.916 9.650 1.00 0.00 C ATOM 389 O PRO A 27 -3.060 4.881 10.315 1.00 0.00 O ATOM 390 CB PRO A 27 -2.582 7.958 11.047 1.00 0.00 C ATOM 391 CG PRO A 27 -1.914 9.261 10.787 1.00 0.00 C ATOM 392 CD PRO A 27 -1.644 9.304 9.309 1.00 0.00 C ATOM 0 HA PRO A 27 -1.103 6.440 10.393 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.662 8.033 10.917 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.406 7.619 12.068 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.550 10.092 11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.987 9.344 11.355 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.433 9.832 8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.709 9.820 9.088 1.00 0.00 H new ATOM 400 N ASP A 28 -3.754 6.143 8.594 1.00 0.00 N ATOM 401 CA ASP A 28 -4.732 5.152 8.159 1.00 0.00 C ATOM 402 C ASP A 28 -4.060 4.129 7.245 1.00 0.00 C ATOM 403 O ASP A 28 -4.264 2.924 7.391 1.00 0.00 O ATOM 404 CB ASP A 28 -5.909 5.824 7.453 1.00 0.00 C ATOM 405 CG ASP A 28 -7.179 5.000 7.534 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.543 4.563 8.643 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.797 4.749 6.471 1.00 0.00 O ATOM 0 H ASP A 28 -3.725 6.993 8.030 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.123 4.635 9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.085 6.803 7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.654 5.991 6.407 1.00 0.00 H new ATOM 412 N LEU A 29 -3.245 4.614 6.311 1.00 0.00 N ATOM 413 CA LEU A 29 -2.373 3.755 5.523 1.00 0.00 C ATOM 414 C LEU A 29 -1.482 2.916 6.430 1.00 0.00 C ATOM 415 O LEU A 29 -1.344 1.706 6.244 1.00 0.00 O ATOM 416 CB LEU A 29 -1.503 4.619 4.614 1.00 0.00 C ATOM 417 CG LEU A 29 -2.118 4.998 3.266 1.00 0.00 C ATOM 418 CD1 LEU A 29 -3.507 5.588 3.418 1.00 0.00 C ATOM 419 CD2 LEU A 29 -1.212 5.975 2.540 1.00 0.00 C ATOM 0 H LEU A 29 -3.172 5.605 6.082 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.989 3.084 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.252 5.536 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.567 4.091 4.429 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.215 4.084 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.904 5.842 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.161 4.859 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.455 6.487 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.657 6.240 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.089 6.874 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.239 5.514 2.373 1.00 0.00 H new ATOM 431 N ARG A 30 -0.889 3.581 7.416 1.00 0.00 N ATOM 432 CA ARG A 30 -0.023 2.934 8.392 1.00 0.00 C ATOM 433 C ARG A 30 -0.773 1.807 9.096 1.00 0.00 C ATOM 434 O ARG A 30 -0.191 0.779 9.442 1.00 0.00 O ATOM 435 CB ARG A 30 0.476 3.982 9.396 1.00 0.00 C ATOM 436 CG ARG A 30 1.501 3.486 10.412 1.00 0.00 C ATOM 437 CD ARG A 30 0.846 2.904 11.656 1.00 0.00 C ATOM 438 NE ARG A 30 1.809 2.705 12.739 1.00 0.00 N ATOM 439 CZ ARG A 30 1.646 1.835 13.737 1.00 0.00 C ATOM 440 NH1 ARG A 30 0.566 1.064 13.784 1.00 0.00 N ATOM 441 NH2 ARG A 30 2.557 1.750 14.697 1.00 0.00 N ATOM 0 H ARG A 30 -0.996 4.585 7.560 1.00 0.00 H new ATOM 0 HA ARG A 30 0.838 2.495 7.888 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.914 4.812 8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.383 4.379 9.937 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.132 2.728 9.948 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.153 4.311 10.699 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.053 3.571 11.994 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.378 1.952 11.408 1.00 0.00 H new ATOM 0 HE ARG A 30 2.660 3.268 12.731 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.144 1.135 13.055 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.446 0.400 14.549 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.382 2.350 14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.433 1.085 15.460 1.00 0.00 H new ATOM 455 N SER A 31 -2.070 2.005 9.290 1.00 0.00 N ATOM 456 CA SER A 31 -2.915 0.984 9.882 1.00 0.00 C ATOM 457 C SER A 31 -3.104 -0.175 8.911 1.00 0.00 C ATOM 458 O SER A 31 -2.792 -1.324 9.228 1.00 0.00 O ATOM 459 CB SER A 31 -4.286 1.569 10.242 1.00 0.00 C ATOM 460 OG SER A 31 -5.076 0.637 10.967 1.00 0.00 O ATOM 0 H SER A 31 -2.558 2.866 9.044 1.00 0.00 H new ATOM 0 HA SER A 31 -2.428 0.622 10.787 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.152 2.473 10.835 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.809 1.860 9.331 1.00 0.00 H new ATOM 0 HG SER A 31 -5.943 1.041 11.183 1.00 0.00 H new ATOM 466 N LEU A 32 -3.589 0.149 7.717 1.00 0.00 N ATOM 467 CA LEU A 32 -4.002 -0.856 6.757 1.00 0.00 C ATOM 468 C LEU A 32 -2.870 -1.785 6.365 1.00 0.00 C ATOM 469 O LEU A 32 -2.995 -3.003 6.469 1.00 0.00 O ATOM 470 CB LEU A 32 -4.548 -0.206 5.491 1.00 0.00 C ATOM 471 CG LEU A 32 -4.997 -1.218 4.446 1.00 0.00 C ATOM 472 CD1 LEU A 32 -6.065 -2.115 5.027 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.500 -0.544 3.187 1.00 0.00 C ATOM 0 H LEU A 32 -3.704 1.109 7.394 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.779 -1.441 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.390 0.435 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.780 0.437 5.060 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.131 -1.819 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.382 -2.837 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.665 -2.644 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.919 -1.512 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.810 -1.302 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.349 0.094 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.703 0.061 2.755 1.00 0.00 H new ATOM 485 N PHE A 33 -1.775 -1.203 5.920 1.00 0.00 N ATOM 486 CA PHE A 33 -0.695 -1.971 5.320 1.00 0.00 C ATOM 487 C PHE A 33 -0.084 -2.926 6.335 1.00 0.00 C ATOM 488 O PHE A 33 0.270 -4.056 6.003 1.00 0.00 O ATOM 489 CB PHE A 33 0.364 -1.034 4.741 1.00 0.00 C ATOM 490 CG PHE A 33 -0.190 -0.028 3.762 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.313 -0.313 2.985 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.414 1.212 3.623 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.807 0.619 2.096 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.080 2.144 2.732 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.191 1.847 1.969 1.00 0.00 C ATOM 0 H PHE A 33 -1.606 -0.198 5.961 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.105 -2.568 4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.853 -0.503 5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.130 -1.628 4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.800 -1.272 3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.282 1.452 4.219 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.677 0.387 1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.403 3.105 2.632 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.578 2.576 1.272 1.00 0.00 H new ATOM 505 N SER A 34 -0.007 -2.482 7.580 1.00 0.00 N ATOM 506 CA SER A 34 0.490 -3.315 8.664 1.00 0.00 C ATOM 507 C SER A 34 -0.431 -4.513 8.897 1.00 0.00 C ATOM 508 O SER A 34 0.027 -5.620 9.186 1.00 0.00 O ATOM 509 CB SER A 34 0.609 -2.483 9.935 1.00 0.00 C ATOM 510 OG SER A 34 1.423 -1.341 9.721 1.00 0.00 O ATOM 0 H SER A 34 -0.284 -1.543 7.866 1.00 0.00 H new ATOM 0 HA SER A 34 1.474 -3.696 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.382 -2.171 10.264 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.033 -3.092 10.734 1.00 0.00 H new ATOM 0 HG SER A 34 0.882 -0.530 9.820 1.00 0.00 H new ATOM 516 N ARG A 35 -1.733 -4.289 8.748 1.00 0.00 N ATOM 517 CA ARG A 35 -2.715 -5.354 8.913 1.00 0.00 C ATOM 518 C ARG A 35 -2.715 -6.259 7.689 1.00 0.00 C ATOM 519 O ARG A 35 -3.055 -7.437 7.770 1.00 0.00 O ATOM 520 CB ARG A 35 -4.108 -4.774 9.129 1.00 0.00 C ATOM 521 CG ARG A 35 -4.164 -3.859 10.326 1.00 0.00 C ATOM 522 CD ARG A 35 -5.492 -3.128 10.442 1.00 0.00 C ATOM 523 NE ARG A 35 -6.584 -4.013 10.845 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.872 -3.669 10.809 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.240 -2.471 10.358 1.00 0.00 N ATOM 526 NH2 ARG A 35 -8.788 -4.521 11.237 1.00 0.00 N ATOM 0 H ARG A 35 -2.132 -3.380 8.513 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.443 -5.939 9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.413 -4.224 8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.822 -5.587 9.261 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.994 -4.441 11.232 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.357 -3.130 10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.396 -2.320 11.168 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.735 -2.669 9.484 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.347 -4.949 11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.534 -1.808 10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.227 -2.216 10.334 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.508 -5.435 11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.775 -4.264 11.212 1.00 0.00 H new ATOM 540 N ALA A 36 -2.314 -5.684 6.562 1.00 0.00 N ATOM 541 CA ALA A 36 -2.308 -6.380 5.282 1.00 0.00 C ATOM 542 C ALA A 36 -1.035 -7.202 5.100 1.00 0.00 C ATOM 543 O ALA A 36 -0.880 -7.912 4.108 1.00 0.00 O ATOM 544 CB ALA A 36 -2.460 -5.373 4.147 1.00 0.00 C ATOM 0 H ALA A 36 -1.983 -4.720 6.510 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.150 -7.071 5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.455 -5.898 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.402 -4.836 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.632 -4.664 4.176 1.00 0.00 H new ATOM 550 N GLY A 37 -0.119 -7.093 6.054 1.00 0.00 N ATOM 551 CA GLY A 37 1.112 -7.861 5.994 1.00 0.00 C ATOM 552 C GLY A 37 2.184 -7.153 5.198 1.00 0.00 C ATOM 553 O GLY A 37 3.304 -7.651 5.059 1.00 0.00 O ATOM 0 H GLY A 37 -0.206 -6.486 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.474 -8.045 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.911 -8.834 5.546 1.00 0.00 H new ATOM 557 N ILE A 38 1.831 -5.999 4.654 1.00 0.00 N ATOM 558 CA ILE A 38 2.764 -5.176 3.916 1.00 0.00 C ATOM 559 C ILE A 38 3.786 -4.562 4.863 1.00 0.00 C ATOM 560 O ILE A 38 3.478 -3.637 5.612 1.00 0.00 O ATOM 561 CB ILE A 38 2.031 -4.045 3.173 1.00 0.00 C ATOM 562 CG1 ILE A 38 0.853 -4.604 2.376 1.00 0.00 C ATOM 563 CG2 ILE A 38 2.994 -3.312 2.254 1.00 0.00 C ATOM 564 CD1 ILE A 38 -0.058 -3.535 1.818 1.00 0.00 C ATOM 0 H ILE A 38 0.890 -5.611 4.714 1.00 0.00 H new ATOM 0 HA ILE A 38 3.268 -5.813 3.189 1.00 0.00 H new ATOM 0 HB ILE A 38 1.644 -3.339 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.235 -5.210 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.272 -5.267 3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.464 -2.514 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.805 -2.885 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.404 -4.011 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.872 -4.003 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.469 -2.944 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.509 -2.886 1.150 1.00 0.00 H new ATOM 576 N SER A 39 4.996 -5.091 4.837 1.00 0.00 N ATOM 577 CA SER A 39 6.069 -4.569 5.657 1.00 0.00 C ATOM 578 C SER A 39 6.682 -3.341 4.986 1.00 0.00 C ATOM 579 O SER A 39 6.359 -3.043 3.831 1.00 0.00 O ATOM 580 CB SER A 39 7.122 -5.652 5.890 1.00 0.00 C ATOM 581 OG SER A 39 8.127 -5.229 6.798 1.00 0.00 O ATOM 0 H SER A 39 5.259 -5.885 4.253 1.00 0.00 H new ATOM 0 HA SER A 39 5.672 -4.267 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.639 -6.550 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.582 -5.921 4.939 1.00 0.00 H new ATOM 0 HG SER A 39 8.780 -5.949 6.922 1.00 0.00 H new ATOM 587 N GLU A 40 7.557 -2.642 5.695 1.00 0.00 N ATOM 588 CA GLU A 40 8.163 -1.416 5.183 1.00 0.00 C ATOM 589 C GLU A 40 8.811 -1.652 3.816 1.00 0.00 C ATOM 590 O GLU A 40 8.723 -0.810 2.918 1.00 0.00 O ATOM 591 CB GLU A 40 9.198 -0.899 6.180 1.00 0.00 C ATOM 592 CG GLU A 40 9.623 0.535 5.937 1.00 0.00 C ATOM 593 CD GLU A 40 10.594 1.027 6.984 1.00 0.00 C ATOM 594 OE1 GLU A 40 10.217 1.077 8.173 1.00 0.00 O ATOM 595 OE2 GLU A 40 11.740 1.363 6.626 1.00 0.00 O ATOM 0 H GLU A 40 7.866 -2.903 6.631 1.00 0.00 H new ATOM 0 HA GLU A 40 7.380 -0.668 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.790 -0.981 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.079 -1.540 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.083 0.614 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.742 1.177 5.930 1.00 0.00 H new ATOM 602 N ALA A 41 9.435 -2.814 3.663 1.00 0.00 N ATOM 603 CA ALA A 41 10.070 -3.184 2.407 1.00 0.00 C ATOM 604 C ALA A 41 9.051 -3.235 1.272 1.00 0.00 C ATOM 605 O ALA A 41 9.259 -2.647 0.220 1.00 0.00 O ATOM 606 CB ALA A 41 10.772 -4.525 2.544 1.00 0.00 C ATOM 0 H ALA A 41 9.514 -3.518 4.397 1.00 0.00 H new ATOM 0 HA ALA A 41 10.810 -2.421 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.242 -4.788 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.534 -4.459 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.044 -5.291 2.813 1.00 0.00 H new ATOM 612 N GLN A 42 7.942 -3.926 1.499 1.00 0.00 N ATOM 613 CA GLN A 42 6.902 -4.063 0.479 1.00 0.00 C ATOM 614 C GLN A 42 6.354 -2.705 0.049 1.00 0.00 C ATOM 615 O GLN A 42 6.054 -2.493 -1.126 1.00 0.00 O ATOM 616 CB GLN A 42 5.755 -4.949 0.968 1.00 0.00 C ATOM 617 CG GLN A 42 6.069 -6.436 0.945 1.00 0.00 C ATOM 618 CD GLN A 42 4.831 -7.286 1.133 1.00 0.00 C ATOM 619 OE1 GLN A 42 4.527 -7.629 2.368 1.00 0.00 O flip ATOM 620 NE2 GLN A 42 4.159 -7.648 0.176 1.00 0.00 N flip ATOM 0 H GLN A 42 7.736 -4.401 2.378 1.00 0.00 H new ATOM 0 HA GLN A 42 7.369 -4.537 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.494 -4.659 1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.877 -4.764 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.542 -6.691 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.788 -6.666 1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.422 -7.365 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.336 -8.233 0.323 1.00 0.00 H new ATOM 629 N LEU A 43 6.239 -1.782 0.995 1.00 0.00 N ATOM 630 CA LEU A 43 5.755 -0.441 0.683 1.00 0.00 C ATOM 631 C LEU A 43 6.736 0.303 -0.210 1.00 0.00 C ATOM 632 O LEU A 43 6.357 1.236 -0.914 1.00 0.00 O ATOM 633 CB LEU A 43 5.493 0.362 1.959 1.00 0.00 C ATOM 634 CG LEU A 43 4.244 -0.047 2.730 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.106 0.773 4.001 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.018 0.125 1.850 1.00 0.00 C ATOM 0 H LEU A 43 6.472 -1.934 1.977 1.00 0.00 H new ATOM 0 HA LEU A 43 4.814 -0.552 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.357 0.263 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.411 1.417 1.697 1.00 0.00 H new ATOM 0 HG LEU A 43 4.333 -1.096 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.208 0.465 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.979 0.613 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.032 1.830 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.127 -0.169 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.930 1.169 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.116 -0.502 0.963 1.00 0.00 H new ATOM 648 N THR A 44 7.987 -0.127 -0.193 1.00 0.00 N ATOM 649 CA THR A 44 9.024 0.487 -1.006 1.00 0.00 C ATOM 650 C THR A 44 9.499 -0.485 -2.089 1.00 0.00 C ATOM 651 O THR A 44 10.599 -0.356 -2.626 1.00 0.00 O ATOM 652 CB THR A 44 10.213 0.933 -0.125 1.00 0.00 C ATOM 653 OG1 THR A 44 10.619 -0.140 0.738 1.00 0.00 O ATOM 654 CG2 THR A 44 9.841 2.147 0.719 1.00 0.00 C ATOM 0 H THR A 44 8.311 -0.906 0.380 1.00 0.00 H new ATOM 0 HA THR A 44 8.604 1.369 -1.490 1.00 0.00 H new ATOM 0 HB THR A 44 11.037 1.204 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.934 -0.286 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.695 2.441 1.330 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.561 2.973 0.065 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.001 1.896 1.367 1.00 0.00 H new ATOM 662 N ASP A 45 8.658 -1.470 -2.391 1.00 0.00 N ATOM 663 CA ASP A 45 8.971 -2.479 -3.401 1.00 0.00 C ATOM 664 C ASP A 45 8.304 -2.125 -4.722 1.00 0.00 C ATOM 665 O ASP A 45 7.133 -1.770 -4.736 1.00 0.00 O ATOM 666 CB ASP A 45 8.494 -3.856 -2.932 1.00 0.00 C ATOM 667 CG ASP A 45 8.917 -4.968 -3.862 1.00 0.00 C ATOM 668 OD1 ASP A 45 10.097 -5.360 -3.812 1.00 0.00 O ATOM 669 OD2 ASP A 45 8.063 -5.456 -4.640 1.00 0.00 O ATOM 0 H ASP A 45 7.748 -1.592 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 45 10.051 -2.505 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.888 -4.052 -1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.407 -3.851 -2.850 1.00 0.00 H new ATOM 674 N ALA A 46 9.041 -2.225 -5.823 1.00 0.00 N ATOM 675 CA ALA A 46 8.569 -1.727 -7.116 1.00 0.00 C ATOM 676 C ALA A 46 7.190 -2.277 -7.488 1.00 0.00 C ATOM 677 O ALA A 46 6.228 -1.512 -7.622 1.00 0.00 O ATOM 678 CB ALA A 46 9.579 -2.042 -8.207 1.00 0.00 C ATOM 0 H ALA A 46 9.969 -2.647 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 46 8.466 -0.646 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.213 -1.665 -9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.531 -1.566 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.719 -3.121 -8.273 1.00 0.00 H new ATOM 684 N GLU A 47 7.085 -3.595 -7.647 1.00 0.00 N ATOM 685 CA GLU A 47 5.821 -4.209 -8.039 1.00 0.00 C ATOM 686 C GLU A 47 4.803 -4.139 -6.910 1.00 0.00 C ATOM 687 O GLU A 47 3.656 -3.751 -7.133 1.00 0.00 O ATOM 688 CB GLU A 47 5.998 -5.668 -8.508 1.00 0.00 C ATOM 689 CG GLU A 47 6.883 -6.530 -7.617 1.00 0.00 C ATOM 690 CD GLU A 47 8.360 -6.375 -7.950 1.00 0.00 C ATOM 691 OE1 GLU A 47 8.983 -5.419 -7.448 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.914 -7.220 -8.684 1.00 0.00 O ATOM 0 H GLU A 47 7.853 -4.252 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 47 5.447 -3.635 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.015 -6.133 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.418 -5.662 -9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.717 -6.261 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.596 -7.576 -7.726 1.00 0.00 H new ATOM 699 N THR A 48 5.219 -4.510 -5.705 1.00 0.00 N ATOM 700 CA THR A 48 4.328 -4.484 -4.556 1.00 0.00 C ATOM 701 C THR A 48 3.690 -3.108 -4.354 1.00 0.00 C ATOM 702 O THR A 48 2.465 -2.983 -4.292 1.00 0.00 O ATOM 703 CB THR A 48 5.069 -4.885 -3.272 1.00 0.00 C ATOM 704 OG1 THR A 48 5.802 -6.097 -3.493 1.00 0.00 O ATOM 705 CG2 THR A 48 4.081 -5.076 -2.129 1.00 0.00 C ATOM 0 H THR A 48 6.165 -4.831 -5.500 1.00 0.00 H new ATOM 0 HA THR A 48 3.538 -5.206 -4.763 1.00 0.00 H new ATOM 0 HB THR A 48 5.764 -4.089 -3.003 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.619 -5.898 -3.996 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.620 -5.360 -1.225 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.544 -4.144 -1.953 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.371 -5.861 -2.389 1.00 0.00 H new ATOM 713 N SER A 49 4.523 -2.081 -4.286 1.00 0.00 N ATOM 714 CA SER A 49 4.069 -0.744 -3.938 1.00 0.00 C ATOM 715 C SER A 49 3.104 -0.187 -4.978 1.00 0.00 C ATOM 716 O SER A 49 2.032 0.312 -4.628 1.00 0.00 O ATOM 717 CB SER A 49 5.263 0.193 -3.783 1.00 0.00 C ATOM 718 OG SER A 49 4.880 1.411 -3.183 1.00 0.00 O ATOM 0 H SER A 49 5.524 -2.149 -4.469 1.00 0.00 H new ATOM 0 HA SER A 49 3.535 -0.814 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.031 -0.289 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.705 0.389 -4.760 1.00 0.00 H new ATOM 0 HG SER A 49 5.248 1.459 -2.276 1.00 0.00 H new ATOM 724 N LYS A 50 3.464 -0.280 -6.259 1.00 0.00 N ATOM 725 CA LYS A 50 2.619 0.284 -7.305 1.00 0.00 C ATOM 726 C LYS A 50 1.291 -0.458 -7.385 1.00 0.00 C ATOM 727 O LYS A 50 0.270 0.119 -7.750 1.00 0.00 O ATOM 728 CB LYS A 50 3.309 0.270 -8.675 1.00 0.00 C ATOM 729 CG LYS A 50 2.461 0.930 -9.753 1.00 0.00 C ATOM 730 CD LYS A 50 3.180 1.055 -11.084 1.00 0.00 C ATOM 731 CE LYS A 50 2.285 1.744 -12.100 1.00 0.00 C ATOM 732 NZ LYS A 50 2.942 1.934 -13.417 1.00 0.00 N ATOM 0 H LYS A 50 4.317 -0.731 -6.590 1.00 0.00 H new ATOM 0 HA LYS A 50 2.433 1.324 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.267 0.785 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.522 -0.760 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.548 0.352 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.161 1.922 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.102 1.623 -10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.462 0.067 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.377 1.156 -12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.981 2.715 -11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.284 2.408 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.794 2.519 -13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.209 1.008 -13.808 1.00 0.00 H new ATOM 746 N LEU A 51 1.300 -1.731 -7.025 1.00 0.00 N ATOM 747 CA LEU A 51 0.088 -2.528 -7.064 1.00 0.00 C ATOM 748 C LEU A 51 -0.760 -2.315 -5.817 1.00 0.00 C ATOM 749 O LEU A 51 -1.969 -2.534 -5.847 1.00 0.00 O ATOM 750 CB LEU A 51 0.424 -3.998 -7.284 1.00 0.00 C ATOM 751 CG LEU A 51 0.867 -4.318 -8.712 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.428 -5.719 -8.805 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.302 -4.157 -9.667 1.00 0.00 C ATOM 0 H LEU A 51 2.129 -2.231 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.514 -2.196 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.216 -4.288 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.450 -4.602 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 51 1.655 -3.619 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.735 -5.920 -9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.290 -5.811 -8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.664 -6.437 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.023 -4.387 -10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.103 -4.838 -9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.666 -3.130 -9.626 1.00 0.00 H new ATOM 765 N ILE A 52 -0.136 -1.899 -4.716 1.00 0.00 N ATOM 766 CA ILE A 52 -0.890 -1.365 -3.592 1.00 0.00 C ATOM 767 C ILE A 52 -1.592 -0.088 -4.021 1.00 0.00 C ATOM 768 O ILE A 52 -2.769 0.120 -3.739 1.00 0.00 O ATOM 769 CB ILE A 52 0.014 -1.039 -2.392 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.674 -2.306 -1.858 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.792 -0.343 -1.305 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.615 -2.047 -0.708 1.00 0.00 C ATOM 0 H ILE A 52 0.875 -1.922 -4.582 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.606 -2.128 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 52 0.804 -0.364 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.100 -3.003 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.223 -2.790 -2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.143 -0.116 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.211 0.583 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.600 -0.996 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.051 -2.989 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.409 -1.374 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.066 -1.590 0.116 1.00 0.00 H new ATOM 784 N TYR A 53 -0.844 0.764 -4.703 1.00 0.00 N ATOM 785 CA TYR A 53 -1.386 1.992 -5.252 1.00 0.00 C ATOM 786 C TYR A 53 -2.522 1.684 -6.221 1.00 0.00 C ATOM 787 O TYR A 53 -3.596 2.278 -6.146 1.00 0.00 O ATOM 788 CB TYR A 53 -0.279 2.776 -5.950 1.00 0.00 C ATOM 789 CG TYR A 53 -0.782 3.975 -6.703 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.470 4.986 -6.048 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.570 4.093 -8.066 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.936 6.087 -6.732 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.032 5.191 -8.761 1.00 0.00 C ATOM 794 CZ TYR A 53 -1.705 6.188 -8.094 1.00 0.00 C ATOM 795 OH TYR A 53 -2.185 7.280 -8.776 1.00 0.00 O ATOM 0 H TYR A 53 0.149 0.624 -4.890 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.788 2.599 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.449 3.102 -5.207 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.244 2.115 -6.641 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.643 4.909 -4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.036 3.315 -8.592 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.476 6.864 -6.211 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.866 5.268 -9.825 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.942 7.207 -9.723 1.00 0.00 H new ATOM 805 N ASP A 54 -2.268 0.742 -7.122 1.00 0.00 N ATOM 806 CA ASP A 54 -3.285 0.248 -8.044 1.00 0.00 C ATOM 807 C ASP A 54 -4.506 -0.254 -7.281 1.00 0.00 C ATOM 808 O ASP A 54 -5.640 -0.004 -7.675 1.00 0.00 O ATOM 809 CB ASP A 54 -2.699 -0.874 -8.907 1.00 0.00 C ATOM 810 CG ASP A 54 -3.761 -1.676 -9.632 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.237 -2.685 -9.068 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.115 -1.316 -10.772 1.00 0.00 O ATOM 0 H ASP A 54 -1.355 0.300 -7.234 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.601 1.068 -8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.014 -0.444 -9.638 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.113 -1.543 -8.276 1.00 0.00 H new ATOM 817 N PHE A 55 -4.252 -0.958 -6.185 1.00 0.00 N ATOM 818 CA PHE A 55 -5.305 -1.442 -5.299 1.00 0.00 C ATOM 819 C PHE A 55 -6.162 -0.283 -4.798 1.00 0.00 C ATOM 820 O PHE A 55 -7.384 -0.305 -4.909 1.00 0.00 O ATOM 821 CB PHE A 55 -4.669 -2.178 -4.112 1.00 0.00 C ATOM 822 CG PHE A 55 -5.626 -2.550 -3.018 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.387 -3.710 -3.106 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.779 -1.732 -1.912 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.275 -4.041 -2.107 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.666 -2.061 -0.909 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.371 -3.262 -0.985 1.00 0.00 C ATOM 0 H PHE A 55 -3.310 -1.210 -5.885 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.948 -2.126 -5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.189 -3.085 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.884 -1.550 -3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.281 -4.357 -3.965 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.197 -0.826 -1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.898 -4.918 -2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.814 -1.395 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.992 -3.577 -0.160 1.00 0.00 H new ATOM 837 N ILE A 56 -5.501 0.728 -4.259 1.00 0.00 N ATOM 838 CA ILE A 56 -6.181 1.880 -3.692 1.00 0.00 C ATOM 839 C ILE A 56 -6.939 2.656 -4.771 1.00 0.00 C ATOM 840 O ILE A 56 -8.076 3.085 -4.560 1.00 0.00 O ATOM 841 CB ILE A 56 -5.165 2.797 -2.978 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.484 2.014 -1.854 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.839 4.045 -2.429 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.398 2.782 -1.142 1.00 0.00 C ATOM 0 H ILE A 56 -4.484 0.773 -4.202 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.908 1.524 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.416 3.122 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.238 1.712 -1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.057 1.101 -2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.097 4.670 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.294 4.603 -3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.609 3.758 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.965 2.159 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.622 3.061 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.821 3.682 -0.696 1.00 0.00 H new ATOM 856 N GLU A 57 -6.313 2.808 -5.933 1.00 0.00 N ATOM 857 CA GLU A 57 -6.940 3.482 -7.065 1.00 0.00 C ATOM 858 C GLU A 57 -8.148 2.683 -7.556 1.00 0.00 C ATOM 859 O GLU A 57 -9.181 3.250 -7.918 1.00 0.00 O ATOM 860 CB GLU A 57 -5.931 3.653 -8.206 1.00 0.00 C ATOM 861 CG GLU A 57 -6.462 4.459 -9.383 1.00 0.00 C ATOM 862 CD GLU A 57 -6.706 5.919 -9.046 1.00 0.00 C ATOM 863 OE1 GLU A 57 -7.715 6.211 -8.373 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.880 6.775 -9.425 1.00 0.00 O ATOM 0 H GLU A 57 -5.368 2.472 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.276 4.466 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.037 4.141 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.627 2.668 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.752 4.397 -10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.394 4.012 -9.730 1.00 0.00 H new ATOM 871 N ASP A 58 -8.005 1.361 -7.549 1.00 0.00 N ATOM 872 CA ASP A 58 -9.055 0.449 -8.006 1.00 0.00 C ATOM 873 C ASP A 58 -10.327 0.610 -7.186 1.00 0.00 C ATOM 874 O ASP A 58 -11.434 0.498 -7.711 1.00 0.00 O ATOM 875 CB ASP A 58 -8.567 -1.001 -7.922 1.00 0.00 C ATOM 876 CG ASP A 58 -9.583 -2.003 -8.431 1.00 0.00 C ATOM 877 OD1 ASP A 58 -9.681 -2.178 -9.659 1.00 0.00 O ATOM 878 OD2 ASP A 58 -10.264 -2.647 -7.606 1.00 0.00 O ATOM 0 H ASP A 58 -7.160 0.890 -7.227 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.284 0.698 -9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.647 -1.102 -8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.322 -1.236 -6.886 1.00 0.00 H new ATOM 883 N GLN A 59 -10.169 0.902 -5.902 1.00 0.00 N ATOM 884 CA GLN A 59 -11.311 1.019 -5.005 1.00 0.00 C ATOM 885 C GLN A 59 -12.000 2.371 -5.165 1.00 0.00 C ATOM 886 O GLN A 59 -13.094 2.585 -4.645 1.00 0.00 O ATOM 887 CB GLN A 59 -10.887 0.832 -3.543 1.00 0.00 C ATOM 888 CG GLN A 59 -9.971 -0.359 -3.297 1.00 0.00 C ATOM 889 CD GLN A 59 -10.359 -1.596 -4.088 1.00 0.00 C ATOM 890 OE1 GLN A 59 -11.523 -1.810 -4.416 1.00 0.00 O ATOM 891 NE2 GLN A 59 -9.371 -2.419 -4.400 1.00 0.00 N ATOM 0 H GLN A 59 -9.264 1.062 -5.459 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.013 0.230 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.383 1.738 -3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.781 0.719 -2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.949 -0.080 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.979 -0.600 -2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.417 -2.205 -4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.563 -3.268 -4.932 1.00 0.00 H new ATOM 900 N GLY A 60 -11.359 3.277 -5.888 1.00 0.00 N ATOM 901 CA GLY A 60 -11.923 4.598 -6.084 1.00 0.00 C ATOM 902 C GLY A 60 -11.114 5.680 -5.400 1.00 0.00 C ATOM 903 O GLY A 60 -11.622 6.772 -5.134 1.00 0.00 O ATOM 0 H GLY A 60 -10.459 3.122 -6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.980 4.811 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.943 4.615 -5.701 1.00 0.00 H new ATOM 907 N GLY A 61 -9.863 5.375 -5.096 1.00 0.00 N ATOM 908 CA GLY A 61 -8.984 6.366 -4.517 1.00 0.00 C ATOM 909 C GLY A 61 -8.778 6.162 -3.032 1.00 0.00 C ATOM 910 O GLY A 61 -9.361 5.254 -2.435 1.00 0.00 O ATOM 0 H GLY A 61 -9.441 4.458 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.019 6.330 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.398 7.359 -4.690 1.00 0.00 H new ATOM 914 N LEU A 62 -7.958 7.019 -2.435 1.00 0.00 N ATOM 915 CA LEU A 62 -7.635 6.936 -1.011 1.00 0.00 C ATOM 916 C LEU A 62 -8.885 7.063 -0.155 1.00 0.00 C ATOM 917 O LEU A 62 -9.035 6.374 0.854 1.00 0.00 O ATOM 918 CB LEU A 62 -6.648 8.041 -0.614 1.00 0.00 C ATOM 919 CG LEU A 62 -5.189 7.817 -1.017 1.00 0.00 C ATOM 920 CD1 LEU A 62 -5.049 7.724 -2.528 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.317 8.938 -0.469 1.00 0.00 C ATOM 0 H LEU A 62 -7.498 7.789 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.182 5.960 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.986 8.978 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.690 8.166 0.468 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.857 6.871 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.002 7.565 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.645 6.890 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.399 8.650 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.281 8.769 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.656 9.893 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.389 8.956 0.618 1.00 0.00 H new ATOM 933 N GLU A 63 -9.784 7.942 -0.581 1.00 0.00 N ATOM 934 CA GLU A 63 -10.998 8.242 0.168 1.00 0.00 C ATOM 935 C GLU A 63 -11.852 6.991 0.349 1.00 0.00 C ATOM 936 O GLU A 63 -12.583 6.865 1.330 1.00 0.00 O ATOM 937 CB GLU A 63 -11.805 9.324 -0.553 1.00 0.00 C ATOM 938 CG GLU A 63 -10.988 10.556 -0.923 1.00 0.00 C ATOM 939 CD GLU A 63 -10.344 11.227 0.276 1.00 0.00 C ATOM 940 OE1 GLU A 63 -11.058 11.931 1.020 1.00 0.00 O ATOM 941 OE2 GLU A 63 -9.129 11.030 0.486 1.00 0.00 O ATOM 0 H GLU A 63 -9.693 8.465 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.708 8.605 1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.236 8.899 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.637 9.628 0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.211 10.270 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.633 11.273 -1.430 1.00 0.00 H new ATOM 948 N ALA A 64 -11.738 6.061 -0.594 1.00 0.00 N ATOM 949 CA ALA A 64 -12.505 4.832 -0.539 1.00 0.00 C ATOM 950 C ALA A 64 -11.974 3.931 0.562 1.00 0.00 C ATOM 951 O ALA A 64 -12.722 3.511 1.437 1.00 0.00 O ATOM 952 CB ALA A 64 -12.469 4.119 -1.880 1.00 0.00 C ATOM 0 H ALA A 64 -11.121 6.139 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.543 5.079 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.050 3.199 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.894 4.766 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.437 3.880 -2.137 1.00 0.00 H new ATOM 958 N VAL A 65 -10.668 3.667 0.528 1.00 0.00 N ATOM 959 CA VAL A 65 -10.019 2.806 1.518 1.00 0.00 C ATOM 960 C VAL A 65 -10.237 3.334 2.936 1.00 0.00 C ATOM 961 O VAL A 65 -10.417 2.558 3.880 1.00 0.00 O ATOM 962 CB VAL A 65 -8.507 2.671 1.227 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.786 1.978 2.377 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.290 1.905 -0.072 1.00 0.00 C ATOM 0 H VAL A 65 -10.035 4.040 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.476 1.819 1.445 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.090 3.673 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.724 1.897 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.914 2.559 3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.203 0.981 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.221 1.816 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.727 0.910 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.766 2.440 -0.894 1.00 0.00 H new ATOM 974 N ARG A 66 -10.252 4.656 3.069 1.00 0.00 N ATOM 975 CA ARG A 66 -10.513 5.302 4.353 1.00 0.00 C ATOM 976 C ARG A 66 -11.880 4.886 4.894 1.00 0.00 C ATOM 977 O ARG A 66 -12.099 4.839 6.108 1.00 0.00 O ATOM 978 CB ARG A 66 -10.451 6.825 4.200 1.00 0.00 C ATOM 979 CG ARG A 66 -9.080 7.339 3.790 1.00 0.00 C ATOM 980 CD ARG A 66 -9.112 8.815 3.413 1.00 0.00 C ATOM 981 NE ARG A 66 -9.406 9.681 4.556 1.00 0.00 N ATOM 982 CZ ARG A 66 -9.098 10.977 4.605 1.00 0.00 C ATOM 983 NH1 ARG A 66 -8.566 11.581 3.547 1.00 0.00 N ATOM 984 NH2 ARG A 66 -9.353 11.671 5.707 1.00 0.00 N ATOM 0 H ARG A 66 -10.086 5.305 2.300 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.747 4.985 5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.184 7.138 3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.737 7.289 5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.377 7.189 4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.713 6.757 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.150 9.098 2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.864 8.973 2.639 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.874 9.268 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.392 11.053 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.332 12.573 3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.782 11.212 6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.120 12.663 5.750 1.00 0.00 H new ATOM 998 N GLN A 67 -12.796 4.573 3.984 1.00 0.00 N ATOM 999 CA GLN A 67 -14.137 4.156 4.358 1.00 0.00 C ATOM 1000 C GLN A 67 -14.248 2.634 4.455 1.00 0.00 C ATOM 1001 O GLN A 67 -15.092 2.121 5.185 1.00 0.00 O ATOM 1002 CB GLN A 67 -15.163 4.701 3.364 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.210 6.218 3.323 1.00 0.00 C ATOM 1004 CD GLN A 67 -16.303 6.752 2.416 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -16.091 6.966 1.222 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -17.479 6.980 2.979 1.00 0.00 N ATOM 0 H GLN A 67 -12.630 4.601 2.978 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.347 4.568 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.930 4.324 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.150 4.320 3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.365 6.599 4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.246 6.597 2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.615 6.790 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.250 7.346 2.420 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.398 1.911 3.725 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.367 0.449 3.800 1.00 0.00 C ATOM 1017 C GLU A 68 -12.973 0.000 5.197 1.00 0.00 C ATOM 1018 O GLU A 68 -13.355 -1.078 5.648 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.368 -0.102 2.800 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.451 0.570 1.454 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.620 0.095 0.614 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -14.766 0.484 0.912 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -13.396 -0.649 -0.363 1.00 0.00 O ATOM 0 H GLU A 68 -12.722 2.313 3.075 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.363 0.072 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.360 0.017 3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.538 -1.172 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.531 1.647 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.525 0.390 0.909 1.00 0.00 H new ATOM 1030 N MET A 69 -12.195 0.842 5.864 1.00 0.00 N ATOM 1031 CA MET A 69 -11.835 0.641 7.269 1.00 0.00 C ATOM 1032 C MET A 69 -13.073 0.426 8.140 1.00 0.00 C ATOM 1033 O MET A 69 -12.993 -0.182 9.204 1.00 0.00 O ATOM 1034 CB MET A 69 -11.054 1.845 7.800 1.00 0.00 C ATOM 1035 CG MET A 69 -9.590 1.879 7.392 1.00 0.00 C ATOM 1036 SD MET A 69 -8.635 0.539 8.135 1.00 0.00 S ATOM 1037 CE MET A 69 -6.967 1.088 7.788 1.00 0.00 C ATOM 0 H MET A 69 -11.794 1.684 5.451 1.00 0.00 H new ATOM 0 HA MET A 69 -11.213 -0.253 7.318 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.536 2.758 7.450 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.115 1.850 8.888 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.517 1.815 6.306 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.157 2.835 7.684 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.271 0.266 7.955 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.900 1.415 6.750 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.713 1.918 8.447 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.211 0.940 7.693 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.462 0.765 8.409 1.00 0.00 C ATOM 1049 C ARG A 70 -16.486 0.080 7.507 1.00 0.00 C ATOM 1050 O ARG A 70 -17.683 0.079 7.788 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.978 2.126 8.889 1.00 0.00 C ATOM 1052 CG ARG A 70 -16.369 3.072 7.766 1.00 0.00 C ATOM 1053 CD ARG A 70 -16.518 4.501 8.266 1.00 0.00 C ATOM 1054 NE ARG A 70 -15.235 5.071 8.684 1.00 0.00 N ATOM 1055 CZ ARG A 70 -14.909 6.359 8.554 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -15.794 7.230 8.082 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -13.700 6.774 8.909 1.00 0.00 N ATOM 0 H ARG A 70 -14.291 1.484 6.834 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.297 0.132 9.281 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.842 1.968 9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.208 2.600 9.498 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -15.614 3.037 6.980 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -17.308 2.742 7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -16.950 5.118 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -17.214 4.521 9.104 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.547 4.444 9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.728 6.916 7.817 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.540 8.213 7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.021 6.109 9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.449 7.758 8.810 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.340 -4.314 4.669 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.651 -4.161 3.392 1.00 0.00 C ATOM 1205 C VAL B 79 -8.186 -4.633 3.491 1.00 0.00 C ATOM 1206 O VAL B 79 -7.478 -4.730 2.490 1.00 0.00 O ATOM 1207 CB VAL B 79 -9.758 -2.679 2.923 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.139 -1.741 3.932 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.137 -2.451 1.556 1.00 0.00 C ATOM 0 HA VAL B 79 -10.130 -4.794 2.645 1.00 0.00 H new ATOM 0 HB VAL B 79 -10.823 -2.463 2.840 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -9.229 -0.714 3.577 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -9.655 -1.841 4.887 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.086 -1.989 4.061 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -9.240 -1.402 1.280 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -8.080 -2.715 1.588 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.644 -3.072 0.818 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.751 -4.960 4.705 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.382 -5.414 4.943 1.00 0.00 C ATOM 1221 C ALA B 80 -6.121 -6.793 4.327 1.00 0.00 C ATOM 1222 O ALA B 80 -5.149 -6.977 3.599 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.092 -5.419 6.432 1.00 0.00 C ATOM 0 H ALA B 80 -8.330 -4.919 5.544 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.704 -4.716 4.452 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.070 -5.758 6.603 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.211 -4.411 6.829 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.786 -6.091 6.936 1.00 0.00 H new ATOM 1229 N GLN B 81 -6.994 -7.760 4.606 1.00 0.00 N ATOM 1230 CA GLN B 81 -6.857 -9.102 4.024 1.00 0.00 C ATOM 1231 C GLN B 81 -7.055 -9.022 2.519 1.00 0.00 C ATOM 1232 O GLN B 81 -6.545 -9.836 1.748 1.00 0.00 O ATOM 1233 CB GLN B 81 -7.879 -10.064 4.642 1.00 0.00 C ATOM 1234 CG GLN B 81 -9.331 -9.680 4.384 1.00 0.00 C ATOM 1235 CD GLN B 81 -9.976 -10.493 3.277 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -9.920 -10.133 2.101 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -10.613 -11.586 3.656 1.00 0.00 N ATOM 0 H GLN B 81 -7.797 -7.645 5.224 1.00 0.00 H new ATOM 0 HA GLN B 81 -5.858 -9.482 4.238 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -7.704 -11.065 4.248 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -7.713 -10.111 5.718 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -9.903 -9.810 5.302 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -9.380 -8.622 4.125 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -10.635 -11.848 4.642 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -11.083 -12.168 2.963 1.00 0.00 H new ATOM 1246 N ARG B 82 -7.780 -7.991 2.135 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.142 -7.728 0.758 1.00 0.00 C ATOM 1248 C ARG B 82 -6.925 -7.237 -0.029 1.00 0.00 C ATOM 1249 O ARG B 82 -6.896 -7.282 -1.262 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.264 -6.696 0.791 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.909 -6.378 -0.532 1.00 0.00 C ATOM 1252 CD ARG B 82 -11.116 -5.488 -0.299 1.00 0.00 C ATOM 1253 NE ARG B 82 -11.675 -4.932 -1.524 1.00 0.00 N ATOM 1254 CZ ARG B 82 -12.369 -3.797 -1.550 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -12.579 -3.123 -0.427 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -12.864 -3.339 -2.691 1.00 0.00 N ATOM 0 H ARG B 82 -8.142 -7.296 2.788 1.00 0.00 H new ATOM 0 HA ARG B 82 -8.484 -8.630 0.251 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.037 -7.051 1.473 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -8.868 -5.771 1.211 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -9.195 -5.879 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -10.212 -7.298 -1.033 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -11.887 -6.062 0.214 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -10.832 -4.671 0.365 1.00 0.00 H new ATOM 0 HE ARG B 82 -11.528 -5.434 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -12.209 -3.475 0.456 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -13.111 -2.253 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -12.714 -3.857 -3.557 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -13.395 -2.468 -2.703 1.00 0.00 H new ATOM 1270 N LEU B 83 -5.895 -6.820 0.700 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.671 -6.333 0.079 1.00 0.00 C ATOM 1272 C LEU B 83 -3.733 -7.496 -0.184 1.00 0.00 C ATOM 1273 O LEU B 83 -3.057 -7.547 -1.214 1.00 0.00 O ATOM 1274 CB LEU B 83 -3.982 -5.295 0.966 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.874 -3.901 0.351 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.294 -2.905 1.343 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -3.030 -3.939 -0.918 1.00 0.00 C ATOM 0 H LEU B 83 -5.884 -6.810 1.720 1.00 0.00 H new ATOM 0 HA LEU B 83 -4.930 -5.854 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.528 -5.221 1.907 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -2.980 -5.650 1.206 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.880 -3.572 0.092 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -3.229 -1.922 0.876 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.938 -2.848 2.221 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.298 -3.230 1.644 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.965 -2.937 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -2.029 -4.298 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.492 -4.610 -1.642 1.00 0.00 H new ATOM 1289 N MET B 84 -3.722 -8.437 0.754 1.00 0.00 N ATOM 1290 CA MET B 84 -2.915 -9.645 0.637 1.00 0.00 C ATOM 1291 C MET B 84 -3.230 -10.363 -0.668 1.00 0.00 C ATOM 1292 O MET B 84 -2.335 -10.846 -1.360 1.00 0.00 O ATOM 1293 CB MET B 84 -3.193 -10.586 1.809 1.00 0.00 C ATOM 1294 CG MET B 84 -2.954 -9.967 3.172 1.00 0.00 C ATOM 1295 SD MET B 84 -3.493 -11.044 4.514 1.00 0.00 S ATOM 1296 CE MET B 84 -3.009 -10.072 5.938 1.00 0.00 C ATOM 0 H MET B 84 -4.270 -8.384 1.613 1.00 0.00 H new ATOM 0 HA MET B 84 -1.864 -9.357 0.648 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.228 -10.924 1.752 1.00 0.00 H new ATOM 0 HB3 MET B 84 -2.563 -11.470 1.708 1.00 0.00 H new ATOM 0 HG2 MET B 84 -1.893 -9.748 3.288 1.00 0.00 H new ATOM 0 HG3 MET B 84 -3.484 -9.017 3.236 1.00 0.00 H new ATOM 0 HE1 MET B 84 -3.111 -10.674 6.841 1.00 0.00 H new ATOM 0 HE2 MET B 84 -1.972 -9.756 5.827 1.00 0.00 H new ATOM 0 HE3 MET B 84 -3.650 -9.193 6.014 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.515 -10.421 -0.994 1.00 0.00 N ATOM 1307 CA GLN B 85 -4.974 -11.053 -2.223 1.00 0.00 C ATOM 1308 C GLN B 85 -4.493 -10.284 -3.447 1.00 0.00 C ATOM 1309 O GLN B 85 -4.013 -10.878 -4.410 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.502 -11.147 -2.226 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.046 -12.254 -1.341 1.00 0.00 C ATOM 1312 CD GLN B 85 -6.882 -13.628 -1.965 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -7.773 -14.114 -2.662 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -5.741 -14.256 -1.740 1.00 0.00 N ATOM 0 H GLN B 85 -5.263 -10.034 -0.418 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.554 -12.058 -2.267 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -6.917 -10.194 -1.897 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -6.845 -11.309 -3.248 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -6.533 -12.231 -0.379 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.102 -12.071 -1.144 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -5.026 -13.821 -1.157 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -5.575 -15.175 -2.150 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.582 -8.959 -3.387 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.282 -8.125 -4.547 1.00 0.00 C ATOM 1325 C HIS B 86 -2.779 -8.093 -4.857 1.00 0.00 C ATOM 1326 O HIS B 86 -2.379 -7.759 -5.974 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.817 -6.706 -4.347 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.877 -5.916 -5.618 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.831 -6.136 -6.589 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.096 -4.914 -6.082 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.632 -5.306 -7.594 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.588 -4.555 -7.312 1.00 0.00 N ATOM 0 H HIS B 86 -4.858 -8.441 -2.553 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.785 -8.572 -5.405 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.815 -6.758 -3.911 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.184 -6.183 -3.631 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.245 -4.478 -5.579 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.225 -5.251 -8.495 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.206 -3.824 -7.912 1.00 0.00 H new ATOM 1341 N LEU B 87 -1.950 -8.424 -3.874 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.515 -8.551 -4.115 1.00 0.00 C ATOM 1343 C LEU B 87 -0.180 -9.963 -4.586 1.00 0.00 C ATOM 1344 O LEU B 87 0.585 -10.153 -5.536 1.00 0.00 O ATOM 1345 CB LEU B 87 0.298 -8.213 -2.858 1.00 0.00 C ATOM 1346 CG LEU B 87 0.558 -6.719 -2.591 1.00 0.00 C ATOM 1347 CD1 LEU B 87 -0.007 -5.841 -3.701 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.006 -6.314 -1.239 1.00 0.00 C ATOM 0 H LEU B 87 -2.240 -8.608 -2.914 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.246 -7.838 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.220 -8.629 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.260 -8.720 -2.927 1.00 0.00 H new ATOM 0 HG LEU B 87 1.637 -6.568 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.197 -4.794 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU B 87 0.461 -6.106 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -1.084 -5.994 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU B 87 0.187 -5.255 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.081 -6.494 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU B 87 0.471 -6.902 -0.455 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.775 -10.950 -3.934 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.521 -12.350 -4.263 1.00 0.00 C ATOM 1362 C ALA B 88 -0.896 -12.663 -5.709 1.00 0.00 C ATOM 1363 O ALA B 88 -0.246 -13.473 -6.369 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.277 -13.264 -3.308 1.00 0.00 C ATOM 0 H ALA B 88 -1.439 -10.810 -3.172 1.00 0.00 H new ATOM 0 HA ALA B 88 0.548 -12.529 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.078 -14.304 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -0.949 -13.074 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.346 -13.069 -3.388 1.00 0.00 H new ATOM 1370 N GLU B 89 -1.925 -11.987 -6.205 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.434 -12.224 -7.552 1.00 0.00 C ATOM 1372 C GLU B 89 -1.489 -11.693 -8.635 1.00 0.00 C ATOM 1373 O GLU B 89 -1.727 -11.906 -9.822 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.804 -11.572 -7.711 1.00 0.00 C ATOM 1375 CG GLU B 89 -3.773 -10.066 -7.517 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.052 -9.374 -7.938 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.152 -8.988 -9.122 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -5.944 -9.182 -7.091 1.00 0.00 O ATOM 0 H GLU B 89 -2.428 -11.264 -5.690 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.512 -13.304 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -4.194 -11.797 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.495 -12.011 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -3.580 -9.847 -6.467 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -2.941 -9.652 -8.087 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.431 -10.990 -8.242 1.00 0.00 N ATOM 1386 CA HIS B 90 0.495 -10.424 -9.224 1.00 0.00 C ATOM 1387 C HIS B 90 1.950 -10.776 -8.920 1.00 0.00 C ATOM 1388 O HIS B 90 2.869 -10.185 -9.492 1.00 0.00 O ATOM 1389 CB HIS B 90 0.335 -8.904 -9.318 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.981 -8.464 -9.882 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.338 -8.647 -11.197 1.00 0.00 N ATOM 1392 CD2 HIS B 90 -2.039 -7.865 -9.291 1.00 0.00 C ATOM 1393 CE1 HIS B 90 -2.555 -8.180 -11.389 1.00 0.00 C ATOM 1394 NE2 HIS B 90 -3.009 -7.701 -10.247 1.00 0.00 N ATOM 0 H HIS B 90 -0.194 -10.799 -7.268 1.00 0.00 H new ATOM 0 HA HIS B 90 0.239 -10.870 -10.185 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.454 -8.474 -8.323 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.137 -8.502 -9.937 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -2.108 -7.569 -8.255 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.092 -8.188 -12.326 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -3.926 -7.280 -10.100 1.00 0.00 H new ATOM 1403 N GLY B 91 2.160 -11.731 -8.027 1.00 0.00 N ATOM 1404 CA GLY B 91 3.507 -12.217 -7.761 1.00 0.00 C ATOM 1405 C GLY B 91 4.366 -11.246 -6.966 1.00 0.00 C ATOM 1406 O GLY B 91 5.582 -11.206 -7.142 1.00 0.00 O ATOM 0 H GLY B 91 1.426 -12.181 -7.480 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.442 -13.159 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.000 -12.430 -8.710 1.00 0.00 H new ATOM 1410 N ILE B 92 3.732 -10.453 -6.116 1.00 0.00 N ATOM 1411 CA ILE B 92 4.432 -9.580 -5.179 1.00 0.00 C ATOM 1412 C ILE B 92 5.305 -10.397 -4.225 1.00 0.00 C ATOM 1413 O ILE B 92 5.024 -11.573 -3.974 1.00 0.00 O ATOM 1414 CB ILE B 92 3.392 -8.752 -4.380 1.00 0.00 C ATOM 1415 CG1 ILE B 92 3.030 -7.490 -5.156 1.00 0.00 C ATOM 1416 CG2 ILE B 92 3.861 -8.413 -2.971 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.197 -7.745 -6.386 1.00 0.00 C ATOM 0 H ILE B 92 2.716 -10.395 -6.054 1.00 0.00 H new ATOM 0 HA ILE B 92 5.083 -8.907 -5.737 1.00 0.00 H new ATOM 0 HB ILE B 92 2.503 -9.371 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.487 -6.813 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE B 92 3.948 -6.981 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.092 -7.833 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.048 -9.334 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.780 -7.829 -3.024 1.00 0.00 H new ATOM 0 HD11 ILE B 92 1.982 -6.799 -6.882 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.745 -8.396 -7.068 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.262 -8.225 -6.099 1.00 0.00 H new ATOM 1429 N GLN B 93 6.370 -9.777 -3.724 1.00 0.00 N ATOM 1430 CA GLN B 93 7.235 -10.413 -2.732 1.00 0.00 C ATOM 1431 C GLN B 93 6.714 -10.136 -1.324 1.00 0.00 C ATOM 1432 O GLN B 93 6.913 -9.048 -0.787 1.00 0.00 O ATOM 1433 CB GLN B 93 8.680 -9.913 -2.865 1.00 0.00 C ATOM 1434 CG GLN B 93 9.502 -10.629 -3.927 1.00 0.00 C ATOM 1435 CD GLN B 93 8.845 -10.622 -5.294 1.00 0.00 C ATOM 1436 OE1 GLN B 93 9.037 -9.699 -6.084 1.00 0.00 O ATOM 1437 NE2 GLN B 93 8.077 -11.662 -5.588 1.00 0.00 N ATOM 0 H GLN B 93 6.656 -8.834 -3.988 1.00 0.00 H new ATOM 0 HA GLN B 93 7.225 -11.488 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN B 93 8.662 -8.848 -3.095 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.179 -10.023 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.482 -10.157 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.668 -11.660 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN B 93 7.944 -12.407 -4.904 1.00 0.00 H new ATOM 0 HE22 GLN B 93 7.620 -11.717 -6.498 1.00 0.00 H new