USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 25 GLN : amide:sc= 1.31 K(o=-0.93,f=-3.3) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -2.24! C(o=-0.93!,f=-8.8!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0978 X(o=-0.098,f=-0.14) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0176 K(o=-0.018,f=-1.6) USER MOD Single : A 39 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.0053) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -101:sc= 1.32 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= -0.0126 (180deg=-0.153) USER MOD Single : A 49 THR OG1 : rot -120:sc=-0.00525 USER MOD Single : A 50 ASN : amide:sc= 1.18 K(o=1.2,f=-0.62) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 45:sc= -0.056 USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= -0.668 (180deg=-0.712) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -115:sc= -0.167 USER MOD Single : A 70 SER OG : rot -70:sc= 0.224 USER MOD Single : A 73 HIS : no HE2:sc= -10.6! C(o=-11!,f=-16!) USER MOD Single : A 79 LYS NZ :NH3+ -116:sc= -0.0367 (180deg=-1.82!) USER MOD Single : A 80 ASN : amide:sc= -0.544 K(o=-0.54,f=-1.3) USER MOD Single : A 84 TYR OH : rot -17:sc= 0.0116 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.6) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.913 K(o=-0.91,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -10.977 -0.047 2.200 1.00 0.00 N ATOM 210 CA ASP A 15 -10.759 -0.148 0.775 1.00 0.00 C ATOM 211 C ASP A 15 -9.718 0.835 0.317 1.00 0.00 C ATOM 212 O ASP A 15 -9.055 0.614 -0.641 1.00 0.00 O ATOM 213 CB ASP A 15 -12.049 0.077 -0.022 1.00 0.00 C ATOM 214 CG ASP A 15 -11.820 -0.072 -1.522 1.00 0.00 C ATOM 215 OD1 ASP A 15 -11.801 -1.216 -2.016 1.00 0.00 O ATOM 216 OD2 ASP A 15 -11.649 0.952 -2.221 1.00 0.00 O ATOM 0 HA ASP A 15 -10.409 -1.163 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.806 -0.636 0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.438 1.073 0.189 1.00 0.00 H new ATOM 221 N SER A 16 -9.537 1.888 1.040 1.00 0.00 N ATOM 222 CA SER A 16 -8.669 2.942 0.552 1.00 0.00 C ATOM 223 C SER A 16 -7.195 2.771 0.952 1.00 0.00 C ATOM 224 O SER A 16 -6.341 3.556 0.532 1.00 0.00 O ATOM 225 CB SER A 16 -9.193 4.301 0.979 1.00 0.00 C ATOM 226 OG SER A 16 -10.531 4.494 0.533 1.00 0.00 O ATOM 0 H SER A 16 -9.961 2.054 1.953 1.00 0.00 H new ATOM 0 HA SER A 16 -8.688 2.871 -0.536 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.152 4.386 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.554 5.085 0.573 1.00 0.00 H new ATOM 0 HG SER A 16 -10.848 5.375 0.821 1.00 0.00 H new ATOM 232 N VAL A 17 -6.892 1.756 1.725 1.00 0.00 N ATOM 233 CA VAL A 17 -5.531 1.546 2.180 1.00 0.00 C ATOM 234 C VAL A 17 -5.105 0.131 1.859 1.00 0.00 C ATOM 235 O VAL A 17 -5.765 -0.825 2.262 1.00 0.00 O ATOM 236 CB VAL A 17 -5.353 1.823 3.715 1.00 0.00 C ATOM 237 CG1 VAL A 17 -3.914 1.564 4.160 1.00 0.00 C ATOM 238 CG2 VAL A 17 -5.749 3.254 4.061 1.00 0.00 C ATOM 0 H VAL A 17 -7.564 1.062 2.053 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.899 2.261 1.654 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.011 1.137 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.822 1.764 5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.653 0.524 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.239 2.218 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.616 3.420 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.121 3.950 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.794 3.417 3.795 1.00 0.00 H new ATOM 248 N ILE A 18 -4.035 0.009 1.115 1.00 0.00 N ATOM 249 CA ILE A 18 -3.498 -1.279 0.751 1.00 0.00 C ATOM 250 C ILE A 18 -2.511 -1.674 1.813 1.00 0.00 C ATOM 251 O ILE A 18 -1.685 -0.854 2.241 1.00 0.00 O ATOM 252 CB ILE A 18 -2.722 -1.243 -0.590 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.460 -0.425 -1.645 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.440 -2.662 -1.100 1.00 0.00 C ATOM 255 CD1 ILE A 18 -4.820 -0.962 -2.032 1.00 0.00 C ATOM 0 H ILE A 18 -3.510 0.801 0.744 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.332 -1.973 0.651 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.768 -0.752 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.580 0.594 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.840 -0.369 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.895 -2.608 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.842 -3.201 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.383 -3.187 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.266 -0.314 -2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.712 -1.969 -2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.463 -0.991 -1.153 1.00 0.00 H new ATOM 267 N VAL A 19 -2.588 -2.890 2.210 1.00 0.00 N ATOM 268 CA VAL A 19 -1.736 -3.450 3.226 1.00 0.00 C ATOM 269 C VAL A 19 -1.131 -4.732 2.692 1.00 0.00 C ATOM 270 O VAL A 19 -1.857 -5.663 2.318 1.00 0.00 O ATOM 271 CB VAL A 19 -2.513 -3.766 4.525 1.00 0.00 C ATOM 272 CG1 VAL A 19 -1.587 -4.330 5.584 1.00 0.00 C ATOM 273 CG2 VAL A 19 -3.259 -2.548 5.049 1.00 0.00 C ATOM 0 H VAL A 19 -3.263 -3.555 1.833 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.966 -2.717 3.468 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.259 -4.523 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.156 -4.544 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.131 -5.249 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.807 -3.603 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.792 -2.813 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.548 -1.750 5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.973 -2.208 4.299 1.00 0.00 H new ATOM 283 N VAL A 20 0.171 -4.768 2.636 1.00 0.00 N ATOM 284 CA VAL A 20 0.907 -5.910 2.108 1.00 0.00 C ATOM 285 C VAL A 20 2.092 -6.272 2.991 1.00 0.00 C ATOM 286 O VAL A 20 2.805 -5.385 3.490 1.00 0.00 O ATOM 287 CB VAL A 20 1.390 -5.674 0.648 1.00 0.00 C ATOM 288 CG1 VAL A 20 0.258 -5.898 -0.341 1.00 0.00 C ATOM 289 CG2 VAL A 20 1.893 -4.256 0.497 1.00 0.00 C ATOM 0 H VAL A 20 0.767 -4.005 2.955 1.00 0.00 H new ATOM 0 HA VAL A 20 0.207 -6.745 2.103 1.00 0.00 H new ATOM 0 HB VAL A 20 2.192 -6.383 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.621 -5.727 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.104 -6.922 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.556 -5.206 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.230 -4.097 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.088 -3.558 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.724 -4.090 1.182 1.00 0.00 H new ATOM 299 N ASP A 21 2.284 -7.568 3.188 1.00 0.00 N ATOM 300 CA ASP A 21 3.382 -8.096 4.004 1.00 0.00 C ATOM 301 C ASP A 21 4.413 -8.757 3.077 1.00 0.00 C ATOM 302 O ASP A 21 4.025 -9.456 2.134 1.00 0.00 O ATOM 303 CB ASP A 21 2.836 -9.102 5.025 1.00 0.00 C ATOM 304 CG ASP A 21 3.833 -9.476 6.111 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.861 -8.799 7.179 1.00 0.00 O ATOM 306 OD2 ASP A 21 4.579 -10.474 5.945 1.00 0.00 O ATOM 0 H ASP A 21 1.685 -8.290 2.788 1.00 0.00 H new ATOM 0 HA ASP A 21 3.864 -7.288 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.944 -8.684 5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.527 -10.006 4.501 1.00 0.00 H new ATOM 311 N ASN A 22 5.691 -8.548 3.387 1.00 0.00 N ATOM 312 CA ASN A 22 6.882 -8.881 2.564 1.00 0.00 C ATOM 313 C ASN A 22 6.811 -8.482 1.111 1.00 0.00 C ATOM 314 O ASN A 22 6.335 -9.215 0.229 1.00 0.00 O ATOM 315 CB ASN A 22 7.671 -10.211 2.837 1.00 0.00 C ATOM 316 CG ASN A 22 6.963 -11.535 2.620 1.00 0.00 C ATOM 317 OD1 ASN A 22 7.299 -12.531 3.259 1.00 0.00 O ATOM 318 ND2 ASN A 22 6.032 -11.596 1.744 1.00 0.00 N ATOM 0 H ASN A 22 5.953 -8.115 4.273 1.00 0.00 H new ATOM 0 HA ASN A 22 7.567 -8.172 3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.560 -10.204 2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.015 -10.185 3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.556 -12.480 1.567 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.766 -10.760 1.223 1.00 0.00 H new ATOM 325 N VAL A 23 7.308 -7.305 0.892 1.00 0.00 N ATOM 326 CA VAL A 23 7.343 -6.637 -0.358 1.00 0.00 C ATOM 327 C VAL A 23 8.806 -6.662 -0.846 1.00 0.00 C ATOM 328 O VAL A 23 9.641 -7.232 -0.147 1.00 0.00 O ATOM 329 CB VAL A 23 6.844 -5.173 -0.132 1.00 0.00 C ATOM 330 CG1 VAL A 23 5.386 -5.173 0.275 1.00 0.00 C ATOM 331 CG2 VAL A 23 7.675 -4.488 0.941 1.00 0.00 C ATOM 0 H VAL A 23 7.728 -6.752 1.639 1.00 0.00 H new ATOM 0 HA VAL A 23 6.706 -7.110 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 23 6.954 -4.625 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.051 -4.147 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.789 -5.635 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.267 -5.737 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.314 -3.470 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.588 -5.040 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.720 -4.462 0.631 1.00 0.00 H new ATOM 341 N PRO A 24 9.132 -6.098 -2.052 1.00 0.00 N ATOM 342 CA PRO A 24 10.505 -6.045 -2.564 1.00 0.00 C ATOM 343 C PRO A 24 11.563 -5.674 -1.526 1.00 0.00 C ATOM 344 O PRO A 24 11.422 -4.677 -0.754 1.00 0.00 O ATOM 345 CB PRO A 24 10.436 -5.013 -3.670 1.00 0.00 C ATOM 346 CG PRO A 24 9.072 -5.191 -4.221 1.00 0.00 C ATOM 347 CD PRO A 24 8.192 -5.562 -3.045 1.00 0.00 C ATOM 0 HA PRO A 24 10.827 -7.032 -2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.586 -4.003 -3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.201 -5.184 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.721 -4.276 -4.697 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.057 -5.972 -4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.655 -4.695 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.443 -6.302 -3.325 1.00 0.00 H new ATOM 355 N GLN A 25 12.597 -6.492 -1.551 1.00 0.00 N ATOM 356 CA GLN A 25 13.757 -6.506 -0.661 1.00 0.00 C ATOM 357 C GLN A 25 14.588 -5.220 -0.719 1.00 0.00 C ATOM 358 O GLN A 25 14.140 -4.185 -1.209 1.00 0.00 O ATOM 359 CB GLN A 25 14.627 -7.679 -1.105 1.00 0.00 C ATOM 360 CG GLN A 25 15.102 -7.548 -2.551 1.00 0.00 C ATOM 361 CD GLN A 25 15.658 -8.822 -3.109 1.00 0.00 C ATOM 362 OE1 GLN A 25 16.855 -9.102 -3.017 1.00 0.00 O ATOM 363 NE2 GLN A 25 14.798 -9.601 -3.696 1.00 0.00 N ATOM 0 H GLN A 25 12.659 -7.230 -2.253 1.00 0.00 H new ATOM 0 HA GLN A 25 13.407 -6.594 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.493 -7.752 -0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.064 -8.606 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.268 -7.221 -3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 25 15.865 -6.771 -2.607 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.816 -9.329 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.105 -10.484 -4.104 1.00 0.00 H new ATOM 372 N VAL A 26 15.785 -5.287 -0.170 1.00 0.00 N ATOM 373 CA VAL A 26 16.714 -4.208 -0.270 1.00 0.00 C ATOM 374 C VAL A 26 18.120 -4.730 -0.474 1.00 0.00 C ATOM 375 O VAL A 26 18.529 -5.761 0.091 1.00 0.00 O ATOM 376 CB VAL A 26 16.687 -3.268 0.977 1.00 0.00 C ATOM 377 CG1 VAL A 26 17.110 -3.987 2.246 1.00 0.00 C ATOM 378 CG2 VAL A 26 17.532 -2.012 0.767 1.00 0.00 C ATOM 0 H VAL A 26 16.128 -6.093 0.353 1.00 0.00 H new ATOM 0 HA VAL A 26 16.407 -3.620 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 26 15.649 -2.958 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.076 -3.293 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 26 16.433 -4.820 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.126 -4.365 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.484 -1.388 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.567 -2.297 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.148 -1.454 -0.087 1.00 0.00 H new ATOM 388 N GLY A 27 18.801 -4.073 -1.328 1.00 0.00 N ATOM 389 CA GLY A 27 20.204 -4.226 -1.448 1.00 0.00 C ATOM 390 C GLY A 27 20.727 -2.987 -0.812 1.00 0.00 C ATOM 391 O GLY A 27 20.065 -1.961 -0.968 1.00 0.00 O ATOM 0 H GLY A 27 18.396 -3.399 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 27 20.558 -5.122 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 27 20.514 -4.308 -2.490 1.00 0.00 H new ATOM 395 N PRO A 28 21.827 -3.007 -0.058 1.00 0.00 N ATOM 396 CA PRO A 28 22.267 -1.827 0.688 1.00 0.00 C ATOM 397 C PRO A 28 22.327 -0.568 -0.179 1.00 0.00 C ATOM 398 O PRO A 28 22.996 -0.537 -1.226 1.00 0.00 O ATOM 399 CB PRO A 28 23.664 -2.206 1.191 1.00 0.00 C ATOM 400 CG PRO A 28 24.015 -3.477 0.485 1.00 0.00 C ATOM 401 CD PRO A 28 22.722 -4.142 0.136 1.00 0.00 C ATOM 0 HA PRO A 28 21.571 -1.580 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 28 24.387 -1.421 0.968 1.00 0.00 H new ATOM 0 HB3 PRO A 28 23.667 -2.344 2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 28 24.600 -3.273 -0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.622 -4.120 1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.808 -4.750 -0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 28 22.376 -4.800 0.933 1.00 0.00 H new ATOM 409 N ASP A 29 21.616 0.465 0.285 1.00 0.00 N ATOM 410 CA ASP A 29 21.499 1.767 -0.391 1.00 0.00 C ATOM 411 C ASP A 29 20.862 1.610 -1.798 1.00 0.00 C ATOM 412 O ASP A 29 21.141 2.366 -2.723 1.00 0.00 O ATOM 413 CB ASP A 29 22.876 2.480 -0.423 1.00 0.00 C ATOM 414 CG ASP A 29 22.851 3.891 -0.986 1.00 0.00 C ATOM 415 OD1 ASP A 29 22.327 4.809 -0.319 1.00 0.00 O ATOM 416 OD2 ASP A 29 23.412 4.118 -2.080 1.00 0.00 O ATOM 0 H ASP A 29 21.093 0.421 1.160 1.00 0.00 H new ATOM 0 HA ASP A 29 20.823 2.406 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 29 23.274 2.516 0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 29 23.566 1.880 -1.016 1.00 0.00 H new ATOM 421 N ARG A 30 19.966 0.641 -1.947 1.00 0.00 N ATOM 422 CA ARG A 30 19.249 0.463 -3.221 1.00 0.00 C ATOM 423 C ARG A 30 17.741 0.569 -3.020 1.00 0.00 C ATOM 424 O ARG A 30 16.970 0.442 -3.973 1.00 0.00 O ATOM 425 CB ARG A 30 19.570 -0.889 -3.870 1.00 0.00 C ATOM 426 CG ARG A 30 21.021 -1.084 -4.288 1.00 0.00 C ATOM 427 CD ARG A 30 21.219 -2.461 -4.910 1.00 0.00 C ATOM 428 NE ARG A 30 20.363 -2.665 -6.087 1.00 0.00 N ATOM 429 CZ ARG A 30 19.659 -3.783 -6.359 1.00 0.00 C ATOM 430 NH1 ARG A 30 19.690 -4.832 -5.530 1.00 0.00 N ATOM 431 NH2 ARG A 30 18.938 -3.851 -7.459 1.00 0.00 N ATOM 0 H ARG A 30 19.716 -0.028 -1.219 1.00 0.00 H new ATOM 0 HA ARG A 30 19.587 1.260 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.301 -1.681 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.937 -1.011 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.306 -0.312 -5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.673 -0.973 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 30 22.264 -2.582 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 30 21.002 -3.228 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 30 20.296 -1.897 -6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.251 -4.793 -4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.152 -5.671 -5.749 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.913 -3.060 -8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.404 -4.695 -7.668 1.00 0.00 H new ATOM 445 N LEU A 31 17.325 0.838 -1.785 1.00 0.00 N ATOM 446 CA LEU A 31 15.905 0.856 -1.420 1.00 0.00 C ATOM 447 C LEU A 31 15.091 1.920 -2.210 1.00 0.00 C ATOM 448 O LEU A 31 13.910 1.724 -2.454 1.00 0.00 O ATOM 449 CB LEU A 31 15.761 1.022 0.121 1.00 0.00 C ATOM 450 CG LEU A 31 14.447 0.522 0.799 1.00 0.00 C ATOM 451 CD1 LEU A 31 13.287 1.464 0.599 1.00 0.00 C ATOM 452 CD2 LEU A 31 14.084 -0.842 0.267 1.00 0.00 C ATOM 0 H LEU A 31 17.955 1.049 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 31 15.471 -0.102 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.596 0.503 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.873 2.081 0.353 1.00 0.00 H new ATOM 0 HG LEU A 31 14.643 0.474 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.402 1.062 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.531 2.437 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.088 1.575 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.166 -1.186 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.933 -0.784 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.890 -1.543 0.483 1.00 0.00 H new ATOM 464 N GLU A 32 15.747 2.993 -2.650 1.00 0.00 N ATOM 465 CA GLU A 32 15.076 4.091 -3.380 1.00 0.00 C ATOM 466 C GLU A 32 14.366 3.620 -4.643 1.00 0.00 C ATOM 467 O GLU A 32 13.187 3.890 -4.828 1.00 0.00 O ATOM 468 CB GLU A 32 16.062 5.185 -3.727 1.00 0.00 C ATOM 469 CG GLU A 32 16.564 5.943 -2.530 1.00 0.00 C ATOM 470 CD GLU A 32 17.719 6.823 -2.872 1.00 0.00 C ATOM 471 OE1 GLU A 32 18.861 6.323 -2.897 1.00 0.00 O ATOM 472 OE2 GLU A 32 17.528 8.016 -3.115 1.00 0.00 O ATOM 0 H GLU A 32 16.748 3.134 -2.517 1.00 0.00 H new ATOM 0 HA GLU A 32 14.314 4.483 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 32 16.911 4.745 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.589 5.884 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.756 6.548 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.862 5.239 -1.753 1.00 0.00 H new ATOM 479 N LYS A 33 15.057 2.880 -5.491 1.00 0.00 N ATOM 480 CA LYS A 33 14.436 2.415 -6.729 1.00 0.00 C ATOM 481 C LYS A 33 13.404 1.334 -6.421 1.00 0.00 C ATOM 482 O LYS A 33 12.434 1.138 -7.155 1.00 0.00 O ATOM 483 CB LYS A 33 15.475 1.902 -7.734 1.00 0.00 C ATOM 484 CG LYS A 33 16.268 0.681 -7.275 1.00 0.00 C ATOM 485 CD LYS A 33 17.217 0.184 -8.356 1.00 0.00 C ATOM 486 CE LYS A 33 16.468 -0.232 -9.620 1.00 0.00 C ATOM 487 NZ LYS A 33 17.379 -0.752 -10.650 1.00 0.00 N ATOM 0 H LYS A 33 16.026 2.591 -5.356 1.00 0.00 H new ATOM 0 HA LYS A 33 13.936 3.266 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.966 1.657 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.174 2.709 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.837 0.933 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.579 -0.118 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.933 0.969 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.789 -0.663 -7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.729 -0.994 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.922 0.624 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.832 -1.023 -11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.068 -0.017 -10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.882 -1.584 -10.281 1.00 0.00 H new ATOM 501 N LEU A 34 13.589 0.693 -5.285 1.00 0.00 N ATOM 502 CA LEU A 34 12.717 -0.360 -4.832 1.00 0.00 C ATOM 503 C LEU A 34 11.457 0.228 -4.170 1.00 0.00 C ATOM 504 O LEU A 34 10.562 -0.503 -3.723 1.00 0.00 O ATOM 505 CB LEU A 34 13.494 -1.302 -3.909 1.00 0.00 C ATOM 506 CG LEU A 34 14.749 -1.937 -4.555 1.00 0.00 C ATOM 507 CD1 LEU A 34 15.539 -2.752 -3.559 1.00 0.00 C ATOM 508 CD2 LEU A 34 14.370 -2.793 -5.756 1.00 0.00 C ATOM 0 H LEU A 34 14.359 0.894 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 34 12.368 -0.948 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.798 -0.751 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.828 -2.099 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 34 15.384 -1.119 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.412 -3.181 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.863 -2.111 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 34 14.913 -3.553 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.270 -3.228 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.699 -3.591 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.869 -2.174 -6.500 1.00 0.00 H new ATOM 520 N LYS A 35 11.439 1.550 -4.049 1.00 0.00 N ATOM 521 CA LYS A 35 10.250 2.298 -3.668 1.00 0.00 C ATOM 522 C LYS A 35 9.435 2.572 -4.918 1.00 0.00 C ATOM 523 O LYS A 35 8.216 2.488 -4.927 1.00 0.00 O ATOM 524 CB LYS A 35 10.619 3.651 -3.039 1.00 0.00 C ATOM 525 CG LYS A 35 11.376 3.572 -1.736 1.00 0.00 C ATOM 526 CD LYS A 35 11.748 4.958 -1.230 1.00 0.00 C ATOM 527 CE LYS A 35 12.507 4.861 0.072 1.00 0.00 C ATOM 528 NZ LYS A 35 12.986 6.171 0.569 1.00 0.00 N ATOM 0 H LYS A 35 12.257 2.137 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 35 9.691 1.710 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.218 4.214 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.703 4.218 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.768 3.061 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.279 2.977 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.356 5.472 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.846 5.554 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.864 4.407 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.361 4.197 -0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.498 6.037 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.623 6.597 -0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.173 6.801 0.726 1.00 0.00 H new ATOM 542 N ASN A 36 10.146 2.838 -5.992 1.00 0.00 N ATOM 543 CA ASN A 36 9.562 3.279 -7.224 1.00 0.00 C ATOM 544 C ASN A 36 8.962 2.140 -7.964 1.00 0.00 C ATOM 545 O ASN A 36 7.938 2.294 -8.615 1.00 0.00 O ATOM 546 CB ASN A 36 10.603 3.980 -8.086 1.00 0.00 C ATOM 547 CG ASN A 36 11.025 5.341 -7.552 1.00 0.00 C ATOM 548 OD1 ASN A 36 11.024 5.588 -6.347 1.00 0.00 O ATOM 549 ND2 ASN A 36 11.379 6.226 -8.433 1.00 0.00 N ATOM 0 H ASN A 36 11.162 2.750 -6.027 1.00 0.00 H new ATOM 0 HA ASN A 36 8.769 3.988 -6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.483 3.343 -8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.205 4.103 -9.093 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.667 7.157 -8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.369 5.990 -9.425 1.00 0.00 H new ATOM 556 N VAL A 37 9.585 0.979 -7.841 1.00 0.00 N ATOM 557 CA VAL A 37 9.090 -0.227 -8.470 1.00 0.00 C ATOM 558 C VAL A 37 7.654 -0.527 -7.979 1.00 0.00 C ATOM 559 O VAL A 37 6.808 -1.008 -8.735 1.00 0.00 O ATOM 560 CB VAL A 37 10.051 -1.434 -8.222 1.00 0.00 C ATOM 561 CG1 VAL A 37 10.064 -1.888 -6.770 1.00 0.00 C ATOM 562 CG2 VAL A 37 9.736 -2.578 -9.151 1.00 0.00 C ATOM 0 H VAL A 37 10.443 0.850 -7.305 1.00 0.00 H new ATOM 0 HA VAL A 37 9.056 -0.069 -9.548 1.00 0.00 H new ATOM 0 HB VAL A 37 11.058 -1.082 -8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.749 -2.729 -6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.392 -1.065 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.061 -2.196 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.420 -3.404 -8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.711 -2.909 -8.986 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.849 -2.249 -10.184 1.00 0.00 H new ATOM 572 N ILE A 38 7.384 -0.161 -6.717 1.00 0.00 N ATOM 573 CA ILE A 38 6.072 -0.298 -6.119 1.00 0.00 C ATOM 574 C ILE A 38 5.085 0.548 -6.903 1.00 0.00 C ATOM 575 O ILE A 38 4.096 0.050 -7.414 1.00 0.00 O ATOM 576 CB ILE A 38 6.067 0.197 -4.640 1.00 0.00 C ATOM 577 CG1 ILE A 38 7.138 -0.515 -3.794 1.00 0.00 C ATOM 578 CG2 ILE A 38 4.687 0.049 -4.008 1.00 0.00 C ATOM 579 CD1 ILE A 38 7.048 -2.023 -3.810 1.00 0.00 C ATOM 0 H ILE A 38 8.082 0.239 -6.090 1.00 0.00 H new ATOM 0 HA ILE A 38 5.797 -1.353 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 38 6.316 1.258 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.123 -0.219 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.058 -0.170 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.719 0.403 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.964 0.638 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.391 -1.000 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.840 -2.441 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.078 -2.334 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.161 -2.383 -4.832 1.00 0.00 H new ATOM 591 N HIS A 39 5.425 1.810 -7.057 1.00 0.00 N ATOM 592 CA HIS A 39 4.582 2.797 -7.727 1.00 0.00 C ATOM 593 C HIS A 39 4.271 2.361 -9.177 1.00 0.00 C ATOM 594 O HIS A 39 3.193 2.626 -9.700 1.00 0.00 O ATOM 595 CB HIS A 39 5.303 4.167 -7.705 1.00 0.00 C ATOM 596 CG HIS A 39 4.464 5.357 -8.104 1.00 0.00 C ATOM 597 ND1 HIS A 39 4.053 6.327 -7.217 1.00 0.00 N ATOM 598 CD2 HIS A 39 3.998 5.746 -9.314 1.00 0.00 C ATOM 599 CE1 HIS A 39 3.367 7.246 -7.886 1.00 0.00 C ATOM 600 NE2 HIS A 39 3.303 6.947 -9.172 1.00 0.00 N ATOM 0 H HIS A 39 6.308 2.192 -6.717 1.00 0.00 H new ATOM 0 HA HIS A 39 3.631 2.879 -7.201 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.687 4.338 -6.699 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.164 4.114 -8.371 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.141 5.212 -10.241 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.920 8.122 -7.439 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.842 7.483 -9.907 1.00 0.00 H new ATOM 608 N LYS A 40 5.203 1.660 -9.789 1.00 0.00 N ATOM 609 CA LYS A 40 5.060 1.219 -11.171 1.00 0.00 C ATOM 610 C LYS A 40 4.152 0.000 -11.293 1.00 0.00 C ATOM 611 O LYS A 40 3.334 -0.080 -12.198 1.00 0.00 O ATOM 612 CB LYS A 40 6.425 0.906 -11.771 1.00 0.00 C ATOM 613 CG LYS A 40 7.392 2.065 -11.689 1.00 0.00 C ATOM 614 CD LYS A 40 8.761 1.725 -12.269 1.00 0.00 C ATOM 615 CE LYS A 40 8.699 1.448 -13.766 1.00 0.00 C ATOM 616 NZ LYS A 40 10.016 1.059 -14.306 1.00 0.00 N ATOM 0 H LYS A 40 6.079 1.378 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 40 4.596 2.036 -11.723 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.853 0.047 -11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.299 0.620 -12.815 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.976 2.919 -12.223 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.507 2.366 -10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.448 2.550 -12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.164 0.852 -11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.978 0.654 -13.959 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.341 2.337 -14.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.933 0.879 -15.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.698 1.827 -14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.346 0.196 -13.828 1.00 0.00 H new ATOM 630 N ILE A 41 4.293 -0.939 -10.391 1.00 0.00 N ATOM 631 CA ILE A 41 3.508 -2.178 -10.446 1.00 0.00 C ATOM 632 C ILE A 41 2.122 -1.982 -9.838 1.00 0.00 C ATOM 633 O ILE A 41 1.103 -2.430 -10.382 1.00 0.00 O ATOM 634 CB ILE A 41 4.223 -3.322 -9.681 1.00 0.00 C ATOM 635 CG1 ILE A 41 5.614 -3.584 -10.277 1.00 0.00 C ATOM 636 CG2 ILE A 41 3.374 -4.597 -9.683 1.00 0.00 C ATOM 637 CD1 ILE A 41 6.434 -4.595 -9.501 1.00 0.00 C ATOM 0 H ILE A 41 4.940 -0.883 -9.604 1.00 0.00 H new ATOM 0 HA ILE A 41 3.409 -2.444 -11.498 1.00 0.00 H new ATOM 0 HB ILE A 41 4.352 -3.010 -8.644 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.499 -3.935 -11.303 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.163 -2.643 -10.321 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.898 -5.384 -9.140 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.417 -4.398 -9.200 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.202 -4.918 -10.710 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.402 -4.726 -9.984 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.582 -4.238 -8.482 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.908 -5.549 -9.478 1.00 0.00 H new ATOM 649 N PHE A 42 2.083 -1.276 -8.750 1.00 0.00 N ATOM 650 CA PHE A 42 0.873 -1.155 -7.957 1.00 0.00 C ATOM 651 C PHE A 42 -0.131 -0.169 -8.531 1.00 0.00 C ATOM 652 O PHE A 42 -1.286 -0.132 -8.097 1.00 0.00 O ATOM 653 CB PHE A 42 1.201 -0.772 -6.539 1.00 0.00 C ATOM 654 CG PHE A 42 1.869 -1.824 -5.679 1.00 0.00 C ATOM 655 CD1 PHE A 42 3.051 -2.454 -6.037 1.00 0.00 C ATOM 656 CD2 PHE A 42 1.336 -2.097 -4.474 1.00 0.00 C ATOM 657 CE1 PHE A 42 3.654 -3.353 -5.176 1.00 0.00 C ATOM 658 CE2 PHE A 42 1.911 -2.955 -3.600 1.00 0.00 C ATOM 659 CZ PHE A 42 3.078 -3.603 -3.943 1.00 0.00 C ATOM 0 H PHE A 42 2.882 -0.763 -8.377 1.00 0.00 H new ATOM 0 HA PHE A 42 0.404 -2.139 -7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.849 0.104 -6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.276 -0.470 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.504 -2.241 -6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.413 -1.612 -4.193 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.566 -3.855 -5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.457 -3.132 -2.636 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.538 -4.299 -3.257 1.00 0.00 H new ATOM 669 N SER A 43 0.282 0.600 -9.514 1.00 0.00 N ATOM 670 CA SER A 43 -0.597 1.563 -10.151 1.00 0.00 C ATOM 671 C SER A 43 -1.648 0.875 -11.021 1.00 0.00 C ATOM 672 O SER A 43 -2.602 1.491 -11.491 1.00 0.00 O ATOM 673 CB SER A 43 0.221 2.554 -10.931 1.00 0.00 C ATOM 674 OG SER A 43 1.352 1.914 -11.493 1.00 0.00 O ATOM 0 H SER A 43 1.228 0.578 -9.894 1.00 0.00 H new ATOM 0 HA SER A 43 -1.146 2.103 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.386 2.997 -11.721 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.540 3.368 -10.279 1.00 0.00 H new ATOM 0 HG SER A 43 2.144 2.113 -10.950 1.00 0.00 H new ATOM 680 N LYS A 44 -1.467 -0.412 -11.217 1.00 0.00 N ATOM 681 CA LYS A 44 -2.438 -1.231 -11.918 1.00 0.00 C ATOM 682 C LYS A 44 -3.685 -1.427 -11.059 1.00 0.00 C ATOM 683 O LYS A 44 -4.764 -1.714 -11.566 1.00 0.00 O ATOM 684 CB LYS A 44 -1.829 -2.576 -12.296 1.00 0.00 C ATOM 685 CG LYS A 44 -0.614 -2.468 -13.217 1.00 0.00 C ATOM 686 CD LYS A 44 -0.953 -1.786 -14.535 1.00 0.00 C ATOM 687 CE LYS A 44 -1.952 -2.592 -15.342 1.00 0.00 C ATOM 688 NZ LYS A 44 -2.357 -1.894 -16.570 1.00 0.00 N ATOM 0 H LYS A 44 -0.644 -0.923 -10.896 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.728 -0.718 -12.835 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.538 -3.101 -11.386 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.590 -3.184 -12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.174 -1.909 -12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.221 -3.465 -13.416 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.360 -0.794 -14.338 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.042 -1.647 -15.118 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.515 -3.557 -15.600 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.833 -2.794 -14.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.040 -2.479 -17.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.797 -0.984 -16.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.521 -1.724 -17.165 1.00 0.00 H new ATOM 702 N PHE A 45 -3.521 -1.256 -9.755 1.00 0.00 N ATOM 703 CA PHE A 45 -4.645 -1.351 -8.822 1.00 0.00 C ATOM 704 C PHE A 45 -5.354 -0.008 -8.693 1.00 0.00 C ATOM 705 O PHE A 45 -6.471 0.074 -8.187 1.00 0.00 O ATOM 706 CB PHE A 45 -4.176 -1.793 -7.437 1.00 0.00 C ATOM 707 CG PHE A 45 -3.560 -3.148 -7.389 1.00 0.00 C ATOM 708 CD1 PHE A 45 -4.353 -4.277 -7.393 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.186 -3.295 -7.335 1.00 0.00 C ATOM 710 CE1 PHE A 45 -3.785 -5.528 -7.340 1.00 0.00 C ATOM 711 CE2 PHE A 45 -1.613 -4.543 -7.281 1.00 0.00 C ATOM 712 CZ PHE A 45 -2.416 -5.663 -7.286 1.00 0.00 C ATOM 0 H PHE A 45 -2.624 -1.051 -9.315 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.335 -2.094 -9.222 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.453 -1.067 -7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.027 -1.772 -6.757 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.427 -4.177 -7.438 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.555 -2.418 -7.335 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.414 -6.406 -7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.539 -4.646 -7.235 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.971 -6.646 -7.248 1.00 0.00 H new ATOM 722 N GLY A 46 -4.710 1.032 -9.140 1.00 0.00 N ATOM 723 CA GLY A 46 -5.274 2.337 -9.048 1.00 0.00 C ATOM 724 C GLY A 46 -4.200 3.365 -8.939 1.00 0.00 C ATOM 725 O GLY A 46 -3.018 3.047 -9.063 1.00 0.00 O ATOM 0 H GLY A 46 -3.788 0.995 -9.574 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.888 2.536 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.930 2.395 -8.180 1.00 0.00 H new ATOM 729 N LYS A 47 -4.582 4.568 -8.679 1.00 0.00 N ATOM 730 CA LYS A 47 -3.648 5.653 -8.609 1.00 0.00 C ATOM 731 C LYS A 47 -3.022 5.704 -7.245 1.00 0.00 C ATOM 732 O LYS A 47 -3.743 5.791 -6.246 1.00 0.00 O ATOM 733 CB LYS A 47 -4.365 6.977 -8.899 1.00 0.00 C ATOM 734 CG LYS A 47 -3.494 8.214 -8.742 1.00 0.00 C ATOM 735 CD LYS A 47 -4.272 9.477 -9.046 1.00 0.00 C ATOM 736 CE LYS A 47 -3.414 10.723 -8.897 1.00 0.00 C ATOM 737 NZ LYS A 47 -2.288 10.750 -9.856 1.00 0.00 N ATOM 0 H LYS A 47 -5.552 4.834 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.868 5.497 -9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.754 6.949 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.222 7.065 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.104 8.260 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.635 8.144 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.664 9.426 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.129 9.545 -8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.034 11.607 -9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.023 10.773 -7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.835 11.686 -9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.592 10.023 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.644 10.560 -10.815 1.00 0.00 H new ATOM 751 N ILE A 48 -1.695 5.716 -7.195 1.00 0.00 N ATOM 752 CA ILE A 48 -0.979 5.830 -5.955 1.00 0.00 C ATOM 753 C ILE A 48 -1.169 7.270 -5.519 1.00 0.00 C ATOM 754 O ILE A 48 -0.504 8.174 -6.010 1.00 0.00 O ATOM 755 CB ILE A 48 0.557 5.607 -6.155 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.880 4.356 -7.019 1.00 0.00 C ATOM 757 CG2 ILE A 48 1.268 5.524 -4.806 1.00 0.00 C ATOM 758 CD1 ILE A 48 0.478 3.029 -6.425 1.00 0.00 C ATOM 0 H ILE A 48 -1.097 5.646 -8.018 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.342 5.091 -5.241 1.00 0.00 H new ATOM 0 HB ILE A 48 0.929 6.472 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.385 4.466 -7.984 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.953 4.337 -7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.335 5.369 -4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.115 6.453 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.862 4.691 -4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.750 2.226 -7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.993 2.885 -5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.599 3.016 -6.260 1.00 0.00 H new ATOM 770 N THR A 49 -2.154 7.481 -4.691 1.00 0.00 N ATOM 771 CA THR A 49 -2.526 8.798 -4.278 1.00 0.00 C ATOM 772 C THR A 49 -1.627 9.232 -3.126 1.00 0.00 C ATOM 773 O THR A 49 -1.191 10.391 -3.041 1.00 0.00 O ATOM 774 CB THR A 49 -4.012 8.784 -3.858 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.777 8.098 -4.888 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.549 10.197 -3.709 1.00 0.00 C ATOM 0 H THR A 49 -2.722 6.738 -4.284 1.00 0.00 H new ATOM 0 HA THR A 49 -2.402 9.511 -5.093 1.00 0.00 H new ATOM 0 HB THR A 49 -4.102 8.275 -2.898 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.451 8.707 -5.255 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.597 10.158 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.976 10.726 -2.947 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.460 10.722 -4.660 1.00 0.00 H new ATOM 784 N ASN A 50 -1.320 8.282 -2.288 1.00 0.00 N ATOM 785 CA ASN A 50 -0.464 8.464 -1.148 1.00 0.00 C ATOM 786 C ASN A 50 0.153 7.102 -0.840 1.00 0.00 C ATOM 787 O ASN A 50 -0.480 6.074 -1.087 1.00 0.00 O ATOM 788 CB ASN A 50 -1.310 9.018 0.019 1.00 0.00 C ATOM 789 CG ASN A 50 -0.571 9.250 1.311 1.00 0.00 C ATOM 790 OD1 ASN A 50 0.642 9.473 1.334 1.00 0.00 O ATOM 791 ND2 ASN A 50 -1.310 9.258 2.392 1.00 0.00 N ATOM 0 H ASN A 50 -1.670 7.328 -2.382 1.00 0.00 H new ATOM 0 HA ASN A 50 0.338 9.180 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.757 9.961 -0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.129 8.325 0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.886 9.454 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.310 9.068 2.327 1.00 0.00 H new ATOM 798 N ASP A 51 1.376 7.077 -0.383 1.00 0.00 N ATOM 799 CA ASP A 51 2.086 5.820 -0.142 1.00 0.00 C ATOM 800 C ASP A 51 3.004 5.972 1.032 1.00 0.00 C ATOM 801 O ASP A 51 3.445 7.087 1.331 1.00 0.00 O ATOM 802 CB ASP A 51 2.888 5.371 -1.382 1.00 0.00 C ATOM 803 CG ASP A 51 3.967 6.353 -1.813 1.00 0.00 C ATOM 804 OD1 ASP A 51 5.069 6.333 -1.264 1.00 0.00 O ATOM 805 OD2 ASP A 51 3.733 7.152 -2.744 1.00 0.00 O ATOM 0 H ASP A 51 1.917 7.913 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 51 1.343 5.051 0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.352 4.407 -1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.198 5.219 -2.212 1.00 0.00 H new ATOM 810 N PHE A 52 3.249 4.876 1.725 1.00 0.00 N ATOM 811 CA PHE A 52 4.108 4.851 2.898 1.00 0.00 C ATOM 812 C PHE A 52 5.017 3.658 2.840 1.00 0.00 C ATOM 813 O PHE A 52 4.560 2.511 2.996 1.00 0.00 O ATOM 814 CB PHE A 52 3.281 4.768 4.194 1.00 0.00 C ATOM 815 CG PHE A 52 2.317 5.888 4.394 1.00 0.00 C ATOM 816 CD1 PHE A 52 1.057 5.845 3.818 1.00 0.00 C ATOM 817 CD2 PHE A 52 2.668 6.987 5.146 1.00 0.00 C ATOM 818 CE1 PHE A 52 0.174 6.876 3.990 1.00 0.00 C ATOM 819 CE2 PHE A 52 1.788 8.021 5.321 1.00 0.00 C ATOM 820 CZ PHE A 52 0.543 7.965 4.742 1.00 0.00 C ATOM 0 H PHE A 52 2.853 3.966 1.488 1.00 0.00 H new ATOM 0 HA PHE A 52 4.688 5.774 2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.729 3.828 4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.964 4.739 5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.769 4.988 3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.646 7.034 5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.806 6.834 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.072 8.879 5.913 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.150 8.782 4.879 1.00 0.00 H new ATOM 830 N TYR A 53 6.273 3.890 2.552 1.00 0.00 N ATOM 831 CA TYR A 53 7.232 2.820 2.555 1.00 0.00 C ATOM 832 C TYR A 53 8.154 2.982 3.752 1.00 0.00 C ATOM 833 O TYR A 53 9.018 3.888 3.767 1.00 0.00 O ATOM 834 CB TYR A 53 8.078 2.808 1.279 1.00 0.00 C ATOM 835 CG TYR A 53 7.297 2.994 -0.004 1.00 0.00 C ATOM 836 CD1 TYR A 53 6.072 2.379 -0.212 1.00 0.00 C ATOM 837 CD2 TYR A 53 7.794 3.804 -0.998 1.00 0.00 C ATOM 838 CE1 TYR A 53 5.372 2.571 -1.379 1.00 0.00 C ATOM 839 CE2 TYR A 53 7.110 4.003 -2.166 1.00 0.00 C ATOM 840 CZ TYR A 53 5.896 3.382 -2.358 1.00 0.00 C ATOM 841 OH TYR A 53 5.198 3.573 -3.535 1.00 0.00 O ATOM 0 H TYR A 53 6.652 4.807 2.314 1.00 0.00 H new ATOM 0 HA TYR A 53 6.684 1.880 2.608 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.827 3.597 1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.616 1.862 1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.661 1.739 0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.746 4.294 -0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.417 2.088 -1.526 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.520 4.643 -2.933 1.00 0.00 H new ATOM 0 HH TYR A 53 5.704 4.174 -4.121 1.00 0.00 H new ATOM 851 N PRO A 54 7.984 2.185 4.784 1.00 0.00 N ATOM 852 CA PRO A 54 8.881 2.191 5.900 1.00 0.00 C ATOM 853 C PRO A 54 9.942 1.112 5.749 1.00 0.00 C ATOM 854 O PRO A 54 9.900 0.302 4.816 1.00 0.00 O ATOM 855 CB PRO A 54 7.964 1.872 7.068 1.00 0.00 C ATOM 856 CG PRO A 54 6.893 0.990 6.490 1.00 0.00 C ATOM 857 CD PRO A 54 6.875 1.236 4.991 1.00 0.00 C ATOM 0 HA PRO A 54 9.423 3.130 6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.504 1.365 7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.539 2.780 7.496 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.099 -0.058 6.706 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.923 1.222 6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.027 0.313 4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.923 1.654 4.664 1.00 0.00 H new ATOM 865 N GLU A 55 10.879 1.119 6.630 1.00 0.00 N ATOM 866 CA GLU A 55 11.890 0.114 6.703 1.00 0.00 C ATOM 867 C GLU A 55 12.169 -0.116 8.160 1.00 0.00 C ATOM 868 O GLU A 55 11.618 0.588 9.012 1.00 0.00 O ATOM 869 CB GLU A 55 13.187 0.484 5.926 1.00 0.00 C ATOM 870 CG GLU A 55 13.974 1.664 6.471 1.00 0.00 C ATOM 871 CD GLU A 55 13.282 3.004 6.289 1.00 0.00 C ATOM 872 OE1 GLU A 55 13.498 3.670 5.236 1.00 0.00 O ATOM 873 OE2 GLU A 55 12.536 3.426 7.191 1.00 0.00 O ATOM 0 H GLU A 55 10.969 1.843 7.342 1.00 0.00 H new ATOM 0 HA GLU A 55 11.532 -0.795 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.840 -0.388 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.919 0.698 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.160 1.504 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.946 1.698 5.978 1.00 0.00 H new ATOM 936 N THR A 60 15.604 -5.084 5.066 1.00 0.00 N ATOM 937 CA THR A 60 14.498 -5.382 4.212 1.00 0.00 C ATOM 938 C THR A 60 13.157 -5.065 4.894 1.00 0.00 C ATOM 939 O THR A 60 12.841 -5.599 5.973 1.00 0.00 O ATOM 940 CB THR A 60 14.567 -6.866 3.796 1.00 0.00 C ATOM 941 OG1 THR A 60 15.792 -7.107 3.069 1.00 0.00 O ATOM 942 CG2 THR A 60 13.389 -7.249 2.949 1.00 0.00 C ATOM 0 HA THR A 60 14.559 -4.753 3.324 1.00 0.00 H new ATOM 0 HB THR A 60 14.546 -7.477 4.699 1.00 0.00 H new ATOM 0 HG1 THR A 60 16.539 -6.678 3.536 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.467 -8.300 2.672 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.469 -7.089 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.375 -6.636 2.048 1.00 0.00 H new ATOM 950 N LYS A 61 12.414 -4.150 4.283 1.00 0.00 N ATOM 951 CA LYS A 61 11.122 -3.775 4.752 1.00 0.00 C ATOM 952 C LYS A 61 10.169 -4.931 4.576 1.00 0.00 C ATOM 953 O LYS A 61 10.253 -5.676 3.594 1.00 0.00 O ATOM 954 CB LYS A 61 10.616 -2.544 4.009 1.00 0.00 C ATOM 955 CG LYS A 61 10.501 -2.700 2.497 1.00 0.00 C ATOM 956 CD LYS A 61 9.909 -1.454 1.882 1.00 0.00 C ATOM 957 CE LYS A 61 9.702 -1.588 0.363 1.00 0.00 C ATOM 958 NZ LYS A 61 10.946 -1.951 -0.371 1.00 0.00 N ATOM 0 H LYS A 61 12.710 -3.654 3.442 1.00 0.00 H new ATOM 0 HA LYS A 61 11.187 -3.523 5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.637 -2.277 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.285 -1.710 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.485 -2.892 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.877 -3.562 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.953 -1.237 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.565 -0.607 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.942 -2.345 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.319 -0.646 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.721 -2.125 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.630 -1.171 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.357 -2.811 0.046 1.00 0.00 H new ATOM 972 N GLY A 62 9.263 -5.056 5.480 1.00 0.00 N ATOM 973 CA GLY A 62 8.397 -6.202 5.470 1.00 0.00 C ATOM 974 C GLY A 62 6.960 -5.843 5.295 1.00 0.00 C ATOM 975 O GLY A 62 6.107 -6.710 5.309 1.00 0.00 O ATOM 0 H GLY A 62 9.095 -4.390 6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.699 -6.872 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.518 -6.750 6.404 1.00 0.00 H new ATOM 979 N TYR A 63 6.684 -4.577 5.112 1.00 0.00 N ATOM 980 CA TYR A 63 5.310 -4.123 4.976 1.00 0.00 C ATOM 981 C TYR A 63 5.290 -2.700 4.494 1.00 0.00 C ATOM 982 O TYR A 63 6.236 -1.953 4.753 1.00 0.00 O ATOM 983 CB TYR A 63 4.530 -4.244 6.321 1.00 0.00 C ATOM 984 CG TYR A 63 5.032 -3.361 7.465 1.00 0.00 C ATOM 985 CD1 TYR A 63 6.207 -3.654 8.149 1.00 0.00 C ATOM 986 CD2 TYR A 63 4.314 -2.244 7.859 1.00 0.00 C ATOM 987 CE1 TYR A 63 6.649 -2.854 9.190 1.00 0.00 C ATOM 988 CE2 TYR A 63 4.747 -1.442 8.899 1.00 0.00 C ATOM 989 CZ TYR A 63 5.909 -1.753 9.561 1.00 0.00 C ATOM 990 OH TYR A 63 6.336 -0.949 10.604 1.00 0.00 O ATOM 0 H TYR A 63 7.385 -3.839 5.053 1.00 0.00 H new ATOM 0 HA TYR A 63 4.814 -4.763 4.246 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.483 -4.004 6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.566 -5.283 6.647 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.785 -4.520 7.864 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.398 -1.995 7.344 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.567 -3.092 9.707 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.173 -0.574 9.189 1.00 0.00 H new ATOM 0 HH TYR A 63 5.699 -0.216 10.734 1.00 0.00 H new ATOM 1000 N ILE A 64 4.252 -2.342 3.764 1.00 0.00 N ATOM 1001 CA ILE A 64 4.050 -0.977 3.294 1.00 0.00 C ATOM 1002 C ILE A 64 2.562 -0.700 3.297 1.00 0.00 C ATOM 1003 O ILE A 64 1.754 -1.638 3.419 1.00 0.00 O ATOM 1004 CB ILE A 64 4.592 -0.700 1.839 1.00 0.00 C ATOM 1005 CG1 ILE A 64 3.783 -1.463 0.787 1.00 0.00 C ATOM 1006 CG2 ILE A 64 6.064 -1.053 1.713 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.209 -1.209 -0.641 1.00 0.00 C ATOM 0 H ILE A 64 3.519 -2.990 3.476 1.00 0.00 H new ATOM 0 HA ILE A 64 4.612 -0.328 3.966 1.00 0.00 H new ATOM 0 HB ILE A 64 4.478 0.369 1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.862 -2.531 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.732 -1.195 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.401 -0.849 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.643 -0.453 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.205 -2.111 1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.582 -1.790 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.103 -0.148 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.250 -1.505 -0.768 1.00 0.00 H new ATOM 1019 N PHE A 65 2.203 0.551 3.158 1.00 0.00 N ATOM 1020 CA PHE A 65 0.814 0.956 3.100 1.00 0.00 C ATOM 1021 C PHE A 65 0.639 1.890 1.954 1.00 0.00 C ATOM 1022 O PHE A 65 1.481 2.760 1.712 1.00 0.00 O ATOM 1023 CB PHE A 65 0.370 1.651 4.394 1.00 0.00 C ATOM 1024 CG PHE A 65 0.451 0.792 5.616 1.00 0.00 C ATOM 1025 CD1 PHE A 65 -0.623 0.019 6.002 1.00 0.00 C ATOM 1026 CD2 PHE A 65 1.601 0.762 6.377 1.00 0.00 C ATOM 1027 CE1 PHE A 65 -0.555 -0.774 7.127 1.00 0.00 C ATOM 1028 CE2 PHE A 65 1.677 -0.025 7.501 1.00 0.00 C ATOM 1029 CZ PHE A 65 0.598 -0.797 7.877 1.00 0.00 C ATOM 0 H PHE A 65 2.865 1.323 3.081 1.00 0.00 H new ATOM 0 HA PHE A 65 0.199 0.065 2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.986 2.537 4.546 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.657 1.994 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.530 0.035 5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.450 1.363 6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.404 -1.375 7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.582 -0.039 8.090 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.658 -1.418 8.758 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.394 1.691 1.224 1.00 0.00 N ATOM 1040 CA LEU A 66 -0.702 2.537 0.126 1.00 0.00 C ATOM 1041 C LEU A 66 -2.053 3.110 0.362 1.00 0.00 C ATOM 1042 O LEU A 66 -2.861 2.504 1.047 1.00 0.00 O ATOM 1043 CB LEU A 66 -0.768 1.740 -1.141 1.00 0.00 C ATOM 1044 CG LEU A 66 0.392 0.833 -1.475 1.00 0.00 C ATOM 1045 CD1 LEU A 66 0.120 0.179 -2.743 1.00 0.00 C ATOM 1046 CD2 LEU A 66 1.697 1.550 -1.584 1.00 0.00 C ATOM 0 H LEU A 66 -1.058 0.930 1.370 1.00 0.00 H new ATOM 0 HA LEU A 66 0.063 3.308 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.669 1.128 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.893 2.439 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 66 0.484 0.120 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.950 -0.480 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.796 -0.406 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.002 0.932 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.485 0.837 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.634 2.302 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.926 2.036 -0.635 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.308 4.236 -0.191 1.00 0.00 N ATOM 1059 CA GLU A 67 -3.579 4.853 -0.076 1.00 0.00 C ATOM 1060 C GLU A 67 -3.993 5.382 -1.434 1.00 0.00 C ATOM 1061 O GLU A 67 -3.250 6.152 -2.074 1.00 0.00 O ATOM 1062 CB GLU A 67 -3.521 5.956 0.971 1.00 0.00 C ATOM 1063 CG GLU A 67 -4.789 6.753 1.113 1.00 0.00 C ATOM 1064 CD GLU A 67 -4.688 7.790 2.185 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -3.997 8.806 1.985 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -5.310 7.625 3.243 1.00 0.00 O ATOM 0 H GLU A 67 -1.633 4.764 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.327 4.131 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.278 5.511 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.707 6.635 0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.021 7.236 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.616 6.080 1.338 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.123 4.939 -1.907 1.00 0.00 N ATOM 1074 CA TYR A 68 -5.611 5.372 -3.191 1.00 0.00 C ATOM 1075 C TYR A 68 -6.944 6.074 -3.001 1.00 0.00 C ATOM 1076 O TYR A 68 -7.631 5.857 -2.003 1.00 0.00 O ATOM 1077 CB TYR A 68 -5.830 4.200 -4.168 1.00 0.00 C ATOM 1078 CG TYR A 68 -4.667 3.244 -4.434 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -3.350 3.603 -4.237 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -4.920 1.972 -4.922 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -2.330 2.719 -4.509 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -3.914 1.096 -5.204 1.00 0.00 C ATOM 1083 CZ TYR A 68 -2.625 1.464 -5.001 1.00 0.00 C ATOM 1084 OH TYR A 68 -1.618 0.583 -5.304 1.00 0.00 O ATOM 0 H TYR A 68 -5.728 4.276 -1.423 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.857 6.035 -3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.666 3.609 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.139 4.620 -5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.116 4.589 -3.865 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.943 1.666 -5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.303 3.007 -4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.143 0.113 -5.588 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.616 0.407 -6.268 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.297 6.902 -3.946 1.00 0.00 N ATOM 1095 CA ALA A 69 -8.588 7.594 -3.965 1.00 0.00 C ATOM 1096 C ALA A 69 -9.472 6.958 -5.035 1.00 0.00 C ATOM 1097 O ALA A 69 -10.508 7.494 -5.436 1.00 0.00 O ATOM 1098 CB ALA A 69 -8.373 9.063 -4.264 1.00 0.00 C ATOM 0 H ALA A 69 -6.700 7.128 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.075 7.505 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.335 9.576 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.738 9.502 -3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.891 9.170 -5.236 1.00 0.00 H new ATOM 1104 N SER A 70 -9.038 5.820 -5.473 1.00 0.00 N ATOM 1105 CA SER A 70 -9.610 5.098 -6.569 1.00 0.00 C ATOM 1106 C SER A 70 -11.013 4.392 -6.244 1.00 0.00 C ATOM 1107 O SER A 70 -11.369 4.169 -5.086 1.00 0.00 O ATOM 1108 CB SER A 70 -8.527 4.107 -7.040 1.00 0.00 C ATOM 1109 OG SER A 70 -7.312 4.811 -7.335 1.00 0.00 O ATOM 0 H SER A 70 -8.237 5.344 -5.058 1.00 0.00 H new ATOM 0 HA SER A 70 -9.883 5.792 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.346 3.360 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.872 3.573 -7.925 1.00 0.00 H new ATOM 0 HG SER A 70 -7.434 5.348 -8.145 1.00 0.00 H new ATOM 1115 N PRO A 71 -11.754 4.044 -7.327 1.00 0.00 N ATOM 1116 CA PRO A 71 -13.109 3.366 -7.421 1.00 0.00 C ATOM 1117 C PRO A 71 -13.592 2.215 -6.466 1.00 0.00 C ATOM 1118 O PRO A 71 -14.680 1.707 -6.764 1.00 0.00 O ATOM 1119 CB PRO A 71 -13.171 2.863 -8.879 1.00 0.00 C ATOM 1120 CG PRO A 71 -11.839 3.157 -9.450 1.00 0.00 C ATOM 1121 CD PRO A 71 -11.357 4.352 -8.709 1.00 0.00 C ATOM 0 HA PRO A 71 -13.797 4.137 -7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.389 1.796 -8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.959 3.370 -9.437 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.160 2.314 -9.323 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.903 3.356 -10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.279 4.482 -8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.821 5.270 -9.071 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.891 1.822 -5.351 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.006 0.487 -4.738 1.00 0.00 C ATOM 1131 C ALA A 72 -12.032 -0.369 -5.435 1.00 0.00 C ATOM 1132 O ALA A 72 -12.314 -1.136 -6.346 1.00 0.00 O ATOM 1133 CB ALA A 72 -14.427 -0.113 -4.628 1.00 0.00 C ATOM 0 H ALA A 72 -12.236 2.435 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.773 0.569 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.372 -1.096 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.053 0.543 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.859 -0.209 -5.624 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.824 0.033 -5.142 1.00 0.00 N ATOM 1140 CA HIS A 73 -9.610 -0.441 -5.727 1.00 0.00 C ATOM 1141 C HIS A 73 -8.979 -1.567 -4.913 1.00 0.00 C ATOM 1142 O HIS A 73 -8.479 -2.549 -5.479 1.00 0.00 O ATOM 1143 CB HIS A 73 -8.650 0.754 -5.811 1.00 0.00 C ATOM 1144 CG HIS A 73 -8.494 1.526 -4.500 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -9.291 2.590 -4.126 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -7.619 1.364 -3.492 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -8.874 3.022 -2.947 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -7.859 2.318 -2.518 1.00 0.00 N ATOM 0 H HIS A 73 -10.657 0.751 -4.437 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.820 -0.855 -6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.670 0.397 -6.128 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -9.005 1.438 -6.582 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -10.066 2.976 -4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.849 0.608 -3.449 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.315 3.848 -2.409 1.00 0.00 H new ATOM 1156 N ALA A 74 -9.046 -1.483 -3.587 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.470 -2.535 -2.781 1.00 0.00 C ATOM 1158 C ALA A 74 -9.379 -3.724 -2.794 1.00 0.00 C ATOM 1159 O ALA A 74 -8.939 -4.864 -2.626 1.00 0.00 O ATOM 1160 CB ALA A 74 -8.179 -2.064 -1.383 1.00 0.00 C ATOM 0 H ALA A 74 -9.481 -0.720 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.511 -2.826 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.747 -2.882 -0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.475 -1.233 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.104 -1.736 -0.910 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.649 -3.457 -3.070 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.649 -4.477 -3.204 1.00 0.00 C ATOM 1168 C VAL A 75 -11.305 -5.356 -4.442 1.00 0.00 C ATOM 1169 O VAL A 75 -11.717 -6.514 -4.540 1.00 0.00 O ATOM 1170 CB VAL A 75 -13.081 -3.834 -3.340 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -13.377 -3.396 -4.740 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -14.172 -4.720 -2.768 1.00 0.00 C ATOM 0 H VAL A 75 -11.005 -2.511 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.659 -5.104 -2.313 1.00 0.00 H new ATOM 0 HB VAL A 75 -13.071 -2.931 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.375 -2.960 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.643 -2.653 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.329 -4.256 -5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -15.138 -4.230 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -14.181 -5.673 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.982 -4.894 -1.709 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.528 -4.791 -5.379 1.00 0.00 N ATOM 1183 CA ASP A 76 -10.047 -5.551 -6.519 1.00 0.00 C ATOM 1184 C ASP A 76 -8.823 -6.310 -6.110 1.00 0.00 C ATOM 1185 O ASP A 76 -8.733 -7.503 -6.353 1.00 0.00 O ATOM 1186 CB ASP A 76 -9.723 -4.676 -7.742 1.00 0.00 C ATOM 1187 CG ASP A 76 -9.174 -5.505 -8.908 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -9.968 -6.190 -9.596 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -7.946 -5.512 -9.137 1.00 0.00 O ATOM 0 H ASP A 76 -10.227 -3.817 -5.361 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.849 -6.224 -6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.623 -4.151 -8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.994 -3.916 -7.462 1.00 0.00 H new ATOM 1194 N ALA A 77 -7.910 -5.618 -5.434 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.648 -6.198 -4.949 1.00 0.00 C ATOM 1196 C ALA A 77 -6.881 -7.464 -4.119 1.00 0.00 C ATOM 1197 O ALA A 77 -6.200 -8.473 -4.307 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.865 -5.171 -4.140 1.00 0.00 C ATOM 0 H ALA A 77 -8.020 -4.631 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.064 -6.483 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.934 -5.617 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.640 -4.308 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.460 -4.852 -3.284 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.869 -7.418 -3.234 1.00 0.00 N ATOM 1205 CA VAL A 78 -8.207 -8.552 -2.400 1.00 0.00 C ATOM 1206 C VAL A 78 -8.832 -9.701 -3.218 1.00 0.00 C ATOM 1207 O VAL A 78 -8.883 -10.846 -2.765 1.00 0.00 O ATOM 1208 CB VAL A 78 -9.143 -8.149 -1.232 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -8.467 -7.158 -0.300 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -10.466 -7.599 -1.736 1.00 0.00 C ATOM 0 H VAL A 78 -8.452 -6.596 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.271 -8.912 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.357 -9.055 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.149 -6.895 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.566 -7.607 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.200 -6.259 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.094 -7.328 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.283 -6.716 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.971 -8.358 -2.334 1.00 0.00 H new ATOM 1220 N LYS A 79 -9.332 -9.378 -4.399 1.00 0.00 N ATOM 1221 CA LYS A 79 -9.890 -10.363 -5.303 1.00 0.00 C ATOM 1222 C LYS A 79 -8.780 -10.991 -6.150 1.00 0.00 C ATOM 1223 O LYS A 79 -8.930 -12.104 -6.658 1.00 0.00 O ATOM 1224 CB LYS A 79 -10.947 -9.726 -6.207 1.00 0.00 C ATOM 1225 CG LYS A 79 -11.708 -10.744 -7.039 1.00 0.00 C ATOM 1226 CD LYS A 79 -12.802 -10.133 -7.905 1.00 0.00 C ATOM 1227 CE LYS A 79 -12.271 -9.311 -9.101 1.00 0.00 C ATOM 1228 NZ LYS A 79 -11.816 -7.948 -8.731 1.00 0.00 N ATOM 0 H LYS A 79 -9.361 -8.423 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.367 -11.144 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.653 -9.166 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.465 -9.009 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.004 -11.275 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.154 -11.483 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.442 -10.931 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.426 -9.490 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.442 -9.849 -9.561 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.056 -9.231 -9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.417 -7.242 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.882 -7.828 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.829 -7.818 -9.032 1.00 0.00 H new ATOM 1242 N ASN A 80 -7.662 -10.260 -6.289 1.00 0.00 N ATOM 1243 CA ASN A 80 -6.536 -10.707 -7.118 1.00 0.00 C ATOM 1244 C ASN A 80 -5.948 -11.990 -6.596 1.00 0.00 C ATOM 1245 O ASN A 80 -6.146 -13.052 -7.200 1.00 0.00 O ATOM 1246 CB ASN A 80 -5.414 -9.642 -7.272 1.00 0.00 C ATOM 1247 CG ASN A 80 -5.726 -8.488 -8.227 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -4.831 -7.951 -8.876 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -6.951 -8.089 -8.315 1.00 0.00 N ATOM 0 H ASN A 80 -7.516 -9.357 -5.837 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.957 -10.874 -8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.194 -9.227 -6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.509 -10.141 -7.617 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.192 -7.314 -8.932 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.678 -8.549 -7.767 1.00 0.00 H new ATOM 1256 N ALA A 81 -5.254 -11.904 -5.470 1.00 0.00 N ATOM 1257 CA ALA A 81 -4.607 -13.053 -4.872 1.00 0.00 C ATOM 1258 C ALA A 81 -3.953 -12.666 -3.572 1.00 0.00 C ATOM 1259 O ALA A 81 -3.161 -11.727 -3.523 1.00 0.00 O ATOM 1260 CB ALA A 81 -3.541 -13.625 -5.806 1.00 0.00 C ATOM 0 H ALA A 81 -5.126 -11.036 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.372 -13.808 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.069 -14.487 -5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.005 -13.933 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.787 -12.864 -6.007 1.00 0.00 H new ATOM 1266 N ASP A 82 -4.311 -13.346 -2.525 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.630 -13.181 -1.258 1.00 0.00 C ATOM 1268 C ASP A 82 -2.363 -13.994 -1.251 1.00 0.00 C ATOM 1269 O ASP A 82 -2.395 -15.226 -1.371 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.515 -13.550 -0.058 1.00 0.00 C ATOM 1271 CG ASP A 82 -3.700 -13.752 1.230 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -3.045 -12.803 1.694 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -3.673 -14.895 1.767 1.00 0.00 O ATOM 0 H ASP A 82 -5.072 -14.025 -2.514 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.388 -12.124 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.253 -12.764 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.066 -14.463 -0.283 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.259 -13.313 -1.170 1.00 0.00 N ATOM 1279 CA GLY A 83 0.016 -13.974 -1.126 1.00 0.00 C ATOM 1280 C GLY A 83 0.501 -14.373 -2.494 1.00 0.00 C ATOM 1281 O GLY A 83 0.859 -15.535 -2.719 1.00 0.00 O ATOM 0 H GLY A 83 -1.213 -12.295 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.749 -13.314 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.059 -14.861 -0.497 1.00 0.00 H new ATOM 1285 N TYR A 84 0.531 -13.428 -3.416 1.00 0.00 N ATOM 1286 CA TYR A 84 1.001 -13.737 -4.745 1.00 0.00 C ATOM 1287 C TYR A 84 2.485 -13.431 -4.886 1.00 0.00 C ATOM 1288 O TYR A 84 2.960 -12.335 -4.534 1.00 0.00 O ATOM 1289 CB TYR A 84 0.144 -13.108 -5.862 1.00 0.00 C ATOM 1290 CG TYR A 84 0.159 -11.597 -5.980 1.00 0.00 C ATOM 1291 CD1 TYR A 84 -0.625 -10.797 -5.163 1.00 0.00 C ATOM 1292 CD2 TYR A 84 0.935 -10.977 -6.950 1.00 0.00 C ATOM 1293 CE1 TYR A 84 -0.634 -9.425 -5.305 1.00 0.00 C ATOM 1294 CE2 TYR A 84 0.937 -9.611 -7.094 1.00 0.00 C ATOM 1295 CZ TYR A 84 0.150 -8.840 -6.274 1.00 0.00 C ATOM 1296 OH TYR A 84 0.148 -7.472 -6.425 1.00 0.00 O ATOM 0 H TYR A 84 0.241 -12.461 -3.270 1.00 0.00 H new ATOM 0 HA TYR A 84 0.879 -14.812 -4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.472 -13.524 -6.814 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.888 -13.425 -5.714 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.239 -11.256 -4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.548 -11.580 -7.603 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.251 -8.815 -4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.554 -9.146 -7.848 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.637 -7.095 -5.977 1.00 0.00 H new ATOM 1306 N LYS A 85 3.202 -14.428 -5.330 1.00 0.00 N ATOM 1307 CA LYS A 85 4.632 -14.407 -5.466 1.00 0.00 C ATOM 1308 C LYS A 85 5.068 -13.746 -6.774 1.00 0.00 C ATOM 1309 O LYS A 85 4.755 -14.247 -7.860 1.00 0.00 O ATOM 1310 CB LYS A 85 5.171 -15.857 -5.463 1.00 0.00 C ATOM 1311 CG LYS A 85 4.590 -16.783 -4.382 1.00 0.00 C ATOM 1312 CD LYS A 85 3.293 -17.526 -4.791 1.00 0.00 C ATOM 1313 CE LYS A 85 3.454 -18.387 -6.038 1.00 0.00 C ATOM 1314 NZ LYS A 85 2.170 -18.984 -6.454 1.00 0.00 N ATOM 0 H LYS A 85 2.787 -15.314 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 85 5.031 -13.834 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.974 -16.300 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.254 -15.822 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.345 -17.521 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.387 -16.193 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.968 -18.156 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.503 -16.795 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.854 -17.781 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.178 -19.178 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.316 -19.563 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.801 -19.582 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.487 -18.228 -6.663 1.00 0.00 H new ATOM 1328 N LEU A 86 5.784 -12.645 -6.682 1.00 0.00 N ATOM 1329 CA LEU A 86 6.376 -12.031 -7.881 1.00 0.00 C ATOM 1330 C LEU A 86 7.702 -12.701 -8.181 1.00 0.00 C ATOM 1331 O LEU A 86 7.908 -13.289 -9.249 1.00 0.00 O ATOM 1332 CB LEU A 86 6.657 -10.520 -7.741 1.00 0.00 C ATOM 1333 CG LEU A 86 5.488 -9.552 -7.610 1.00 0.00 C ATOM 1334 CD1 LEU A 86 6.012 -8.126 -7.737 1.00 0.00 C ATOM 1335 CD2 LEU A 86 4.420 -9.821 -8.657 1.00 0.00 C ATOM 0 H LEU A 86 5.976 -12.153 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 86 5.641 -12.165 -8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.293 -10.385 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.240 -10.214 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 86 5.024 -9.692 -6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.183 -7.424 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.739 -7.934 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.489 -7.999 -8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.602 -9.112 -8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.850 -9.709 -9.652 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.041 -10.836 -8.538 1.00 0.00 H new ATOM 1347 N ASP A 87 8.581 -12.630 -7.221 1.00 0.00 N ATOM 1348 CA ASP A 87 9.916 -13.169 -7.341 1.00 0.00 C ATOM 1349 C ASP A 87 10.173 -13.911 -6.035 1.00 0.00 C ATOM 1350 O ASP A 87 9.207 -14.132 -5.300 1.00 0.00 O ATOM 1351 CB ASP A 87 10.937 -12.022 -7.570 1.00 0.00 C ATOM 1352 CG ASP A 87 12.260 -12.481 -8.189 1.00 0.00 C ATOM 1353 OD1 ASP A 87 13.083 -13.104 -7.491 1.00 0.00 O ATOM 1354 OD2 ASP A 87 12.504 -12.212 -9.386 1.00 0.00 O ATOM 0 H ASP A 87 8.393 -12.191 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 87 10.021 -13.841 -8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.485 -11.271 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.143 -11.537 -6.616 1.00 0.00 H new ATOM 1359 N LYS A 88 11.428 -14.246 -5.738 1.00 0.00 N ATOM 1360 CA LYS A 88 11.851 -15.064 -4.589 1.00 0.00 C ATOM 1361 C LYS A 88 11.039 -14.847 -3.300 1.00 0.00 C ATOM 1362 O LYS A 88 10.116 -15.599 -3.018 1.00 0.00 O ATOM 1363 CB LYS A 88 13.341 -14.867 -4.312 1.00 0.00 C ATOM 1364 CG LYS A 88 14.256 -15.386 -5.409 1.00 0.00 C ATOM 1365 CD LYS A 88 15.707 -14.983 -5.177 1.00 0.00 C ATOM 1366 CE LYS A 88 16.259 -15.498 -3.857 1.00 0.00 C ATOM 1367 NZ LYS A 88 17.635 -15.028 -3.626 1.00 0.00 N ATOM 0 H LYS A 88 12.215 -13.945 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 88 11.651 -16.093 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.534 -13.804 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.594 -15.367 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.184 -16.473 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.922 -15.001 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.320 -15.363 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.785 -13.896 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.618 -15.167 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.241 -16.588 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.980 -15.398 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.251 -15.365 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.648 -13.988 -3.604 1.00 0.00 H new ATOM 1381 N GLN A 89 11.360 -13.813 -2.546 1.00 0.00 N ATOM 1382 CA GLN A 89 10.663 -13.563 -1.282 1.00 0.00 C ATOM 1383 C GLN A 89 9.536 -12.553 -1.450 1.00 0.00 C ATOM 1384 O GLN A 89 8.808 -12.259 -0.499 1.00 0.00 O ATOM 1385 CB GLN A 89 11.641 -13.083 -0.209 1.00 0.00 C ATOM 1386 CG GLN A 89 12.379 -11.810 -0.581 1.00 0.00 C ATOM 1387 CD GLN A 89 13.346 -11.355 0.485 1.00 0.00 C ATOM 1388 OE1 GLN A 89 13.121 -11.558 1.673 1.00 0.00 O ATOM 1389 NE2 GLN A 89 14.444 -10.789 0.072 1.00 0.00 N ATOM 0 H GLN A 89 12.088 -13.136 -2.775 1.00 0.00 H new ATOM 0 HA GLN A 89 10.223 -14.508 -0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.095 -12.918 0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.369 -13.871 -0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.923 -11.971 -1.512 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.654 -11.018 -0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.595 -10.637 -0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.152 -10.498 0.746 1.00 0.00 H new ATOM 1398 N HIS A 90 9.372 -12.049 -2.661 1.00 0.00 N ATOM 1399 CA HIS A 90 8.373 -11.016 -2.921 1.00 0.00 C ATOM 1400 C HIS A 90 7.026 -11.655 -3.090 1.00 0.00 C ATOM 1401 O HIS A 90 6.696 -12.155 -4.159 1.00 0.00 O ATOM 1402 CB HIS A 90 8.681 -10.210 -4.179 1.00 0.00 C ATOM 1403 CG HIS A 90 10.025 -9.540 -4.220 1.00 0.00 C ATOM 1404 ND1 HIS A 90 10.574 -9.008 -5.363 1.00 0.00 N ATOM 1405 CD2 HIS A 90 10.927 -9.317 -3.234 1.00 0.00 C ATOM 1406 CE1 HIS A 90 11.758 -8.491 -5.055 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.027 -8.653 -3.764 1.00 0.00 N ATOM 0 H HIS A 90 9.912 -12.333 -3.478 1.00 0.00 H new ATOM 0 HA HIS A 90 8.386 -10.337 -2.069 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.602 -10.874 -5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.913 -9.446 -4.294 1.00 0.00 H new ATOM 0 HD1 HIS A 90 10.145 -9.010 -6.289 1.00 0.00 H new ATOM 0 HD2 HIS A 90 10.810 -9.609 -2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.415 -8.004 -5.760 1.00 0.00 H new ATOM 1415 N THR A 91 6.313 -11.732 -2.041 1.00 0.00 N ATOM 1416 CA THR A 91 5.015 -12.339 -2.041 1.00 0.00 C ATOM 1417 C THR A 91 4.033 -11.449 -1.293 1.00 0.00 C ATOM 1418 O THR A 91 4.089 -11.367 -0.094 1.00 0.00 O ATOM 1419 CB THR A 91 5.103 -13.723 -1.393 1.00 0.00 C ATOM 1420 OG1 THR A 91 6.189 -14.448 -2.000 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.837 -14.476 -1.633 1.00 0.00 C ATOM 0 H THR A 91 6.605 -11.373 -1.132 1.00 0.00 H new ATOM 0 HA THR A 91 4.659 -12.456 -3.065 1.00 0.00 H new ATOM 0 HB THR A 91 5.265 -13.612 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.257 -15.337 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.906 -15.460 -1.170 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.000 -13.928 -1.200 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.679 -14.590 -2.705 1.00 0.00 H new ATOM 1429 N PHE A 92 3.130 -10.812 -1.982 1.00 0.00 N ATOM 1430 CA PHE A 92 2.267 -9.850 -1.312 1.00 0.00 C ATOM 1431 C PHE A 92 1.099 -10.509 -0.633 1.00 0.00 C ATOM 1432 O PHE A 92 0.138 -10.904 -1.294 1.00 0.00 O ATOM 1433 CB PHE A 92 1.755 -8.796 -2.276 1.00 0.00 C ATOM 1434 CG PHE A 92 2.834 -8.113 -3.022 1.00 0.00 C ATOM 1435 CD1 PHE A 92 3.729 -7.286 -2.377 1.00 0.00 C ATOM 1436 CD2 PHE A 92 2.966 -8.313 -4.369 1.00 0.00 C ATOM 1437 CE1 PHE A 92 4.738 -6.672 -3.077 1.00 0.00 C ATOM 1438 CE2 PHE A 92 3.962 -7.711 -5.068 1.00 0.00 C ATOM 1439 CZ PHE A 92 4.852 -6.886 -4.431 1.00 0.00 C ATOM 0 H PHE A 92 2.965 -10.928 -2.982 1.00 0.00 H new ATOM 0 HA PHE A 92 2.884 -9.372 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.072 -9.263 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.180 -8.054 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.636 -7.120 -1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.269 -8.958 -4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 92 5.437 -6.025 -2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.053 -7.883 -6.130 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.641 -6.405 -4.991 1.00 0.00 H new ATOM 1449 N ARG A 93 1.195 -10.677 0.672 1.00 0.00 N ATOM 1450 CA ARG A 93 0.071 -11.180 1.437 1.00 0.00 C ATOM 1451 C ARG A 93 -0.824 -10.027 1.749 1.00 0.00 C ATOM 1452 O ARG A 93 -0.338 -8.945 2.109 1.00 0.00 O ATOM 1453 CB ARG A 93 0.470 -11.918 2.729 1.00 0.00 C ATOM 1454 CG ARG A 93 1.204 -13.228 2.504 1.00 0.00 C ATOM 1455 CD ARG A 93 2.674 -13.020 2.204 1.00 0.00 C ATOM 1456 NE ARG A 93 3.416 -12.628 3.395 1.00 0.00 N ATOM 1457 CZ ARG A 93 4.228 -13.446 4.076 1.00 0.00 C ATOM 1458 NH1 ARG A 93 4.373 -14.723 3.690 1.00 0.00 N ATOM 1459 NH2 ARG A 93 4.884 -12.994 5.132 1.00 0.00 N ATOM 0 H ARG A 93 2.031 -10.475 1.220 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.437 -11.929 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.101 -11.261 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.429 -12.115 3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.102 -13.856 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.739 -13.765 1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.096 -13.939 1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.784 -12.253 1.437 1.00 0.00 H new ATOM 0 HE ARG A 93 3.310 -11.671 3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.864 -15.071 2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.992 -15.346 4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.771 -12.024 5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.503 -13.616 5.652 1.00 0.00 H new ATOM 1473 N VAL A 94 -2.096 -10.234 1.605 1.00 0.00 N ATOM 1474 CA VAL A 94 -3.042 -9.165 1.742 1.00 0.00 C ATOM 1475 C VAL A 94 -3.791 -9.281 3.054 1.00 0.00 C ATOM 1476 O VAL A 94 -4.167 -10.382 3.492 1.00 0.00 O ATOM 1477 CB VAL A 94 -4.039 -9.123 0.549 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -3.319 -9.045 -0.775 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -4.983 -10.282 0.586 1.00 0.00 C ATOM 0 H VAL A 94 -2.508 -11.142 1.390 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.482 -8.230 1.738 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.629 -8.213 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.048 -9.017 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.709 -8.142 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.679 -9.919 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.666 -10.222 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.419 -11.213 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.554 -10.257 1.514 1.00 0.00 H new ATOM 1489 N ASN A 95 -3.976 -8.176 3.691 1.00 0.00 N ATOM 1490 CA ASN A 95 -4.685 -8.125 4.930 1.00 0.00 C ATOM 1491 C ASN A 95 -5.234 -6.711 5.100 1.00 0.00 C ATOM 1492 O ASN A 95 -4.900 -5.834 4.306 1.00 0.00 O ATOM 1493 CB ASN A 95 -3.756 -8.606 6.089 1.00 0.00 C ATOM 1494 CG ASN A 95 -3.711 -7.688 7.268 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -4.486 -7.814 8.223 1.00 0.00 O ATOM 1496 ND2 ASN A 95 -2.836 -6.763 7.198 1.00 0.00 N ATOM 0 H ASN A 95 -3.637 -7.271 3.365 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.538 -8.804 4.946 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.090 -9.589 6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -2.745 -8.728 5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.752 -6.082 7.953 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.220 -6.704 6.387 1.00 0.00 H new