USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 675 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 98 LYS NZ :NH3+ -169:sc= -0.735 (180deg=-0.986) USER MOD Set 1.2: A 105 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 51 GLN : amide:sc= -0.693 K(o=-5.7,f=-5.1) USER MOD Set 2.2: A 107 ASN : amide:sc= -4.98! C(o=-5.7!,f=-4.4!) USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0.0199 USER MOD Set 3.2: A 83 THR OG1 : rot -79:sc= 0.0237 USER MOD Set 4.1: A 29 SER OG : rot -62:sc= 0.205 USER MOD Set 4.2: A 30 HIS : no HD1:sc= -1.57! C(o=-1.4!,f=-3.3!) USER MOD Single : A 17 ASN : amide:sc= -0.441 K(o=-0.44,f=-5.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -46:sc= -0.22 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.987 USER MOD Single : A 36 HIS : no HE2:sc= -1.17 X(o=-1.2,f=-0.75) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.729 USER MOD Single : A 52 TYR OH : rot 134:sc= -0.121 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -112:sc= -0.645 (180deg=-1.17) USER MOD Single : A 76 ASN : amide:sc= -5.43! C(o=-5.4!,f=-6.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.9 X(o=-2.9,f=-2.5!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 81 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.0014) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0384 USER MOD Single : A 85 HIS : no HD1:sc= -0.616 K(o=-0.62,f=0.071) USER MOD Single : A 88 GLN : amide:sc= -0.48 K(o=-0.48,f=-1.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 64:sc= 0.686 USER MOD Single : A 93 TYR OH : rot -15:sc= -0.425 USER MOD Single : A 101 ASN : amide:sc= -1.41 K(o=-1.4,f=-12!) USER MOD Single : A 102 GLN : amide:sc= -4.25! C(o=-4.2!,f=-15!) USER MOD Single : A 108 SER OG : rot -87:sc= 0.532 USER MOD Single : A 111 THR OG1 : rot -120:sc= -0.0016 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -174:sc= 1.2 USER MOD Single : A 116 ASN : amide:sc= -2.32 K(o=-2.3,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.134 -16.317 -5.998 1.00 0.00 N ATOM 174 CA ALA A 15 -4.182 -14.880 -5.759 1.00 0.00 C ATOM 175 C ALA A 15 -3.553 -14.525 -4.416 1.00 0.00 C ATOM 176 O ALA A 15 -3.789 -15.179 -3.401 1.00 0.00 O ATOM 177 CB ALA A 15 -5.618 -14.382 -5.819 1.00 0.00 C ATOM 0 HA ALA A 15 -3.605 -14.388 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.638 -13.307 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.035 -14.593 -6.804 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.211 -14.889 -5.058 1.00 0.00 H new ATOM 183 N PRO A 16 -2.731 -13.465 -4.409 1.00 0.00 N ATOM 184 CA PRO A 16 -2.051 -13.000 -3.197 1.00 0.00 C ATOM 185 C PRO A 16 -3.016 -12.382 -2.191 1.00 0.00 C ATOM 186 O PRO A 16 -3.833 -11.532 -2.542 1.00 0.00 O ATOM 187 CB PRO A 16 -1.076 -11.942 -3.721 1.00 0.00 C ATOM 188 CG PRO A 16 -1.690 -11.456 -4.988 1.00 0.00 C ATOM 189 CD PRO A 16 -2.403 -12.639 -5.583 1.00 0.00 C ATOM 0 HA PRO A 16 -1.568 -13.818 -2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.951 -11.130 -3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.088 -12.367 -3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.384 -10.638 -4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.929 -11.076 -5.670 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.299 -12.337 -6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.770 -13.177 -6.289 1.00 0.00 H new ATOM 197 N ASN A 17 -2.915 -12.815 -0.938 1.00 0.00 N ATOM 198 CA ASN A 17 -3.780 -12.304 0.119 1.00 0.00 C ATOM 199 C ASN A 17 -3.738 -10.780 0.167 1.00 0.00 C ATOM 200 O ASN A 17 -2.681 -10.159 0.053 1.00 0.00 O ATOM 201 CB ASN A 17 -3.361 -12.880 1.473 1.00 0.00 C ATOM 202 CG ASN A 17 -3.291 -14.395 1.460 1.00 0.00 C ATOM 203 OD1 ASN A 17 -3.248 -15.016 0.398 1.00 0.00 O ATOM 204 ND2 ASN A 17 -3.280 -14.997 2.643 1.00 0.00 N ATOM 0 H ASN A 17 -2.243 -13.518 -0.630 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.802 -12.615 -0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.387 -12.476 1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.069 -12.558 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.234 -16.015 2.697 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.317 -14.442 3.498 1.00 0.00 H new ATOM 211 N PRO A 18 -4.915 -10.160 0.341 1.00 0.00 N ATOM 212 CA PRO A 18 -5.039 -8.701 0.410 1.00 0.00 C ATOM 213 C PRO A 18 -4.437 -8.128 1.689 1.00 0.00 C ATOM 214 O PRO A 18 -4.743 -8.565 2.798 1.00 0.00 O ATOM 215 CB PRO A 18 -6.552 -8.472 0.382 1.00 0.00 C ATOM 216 CG PRO A 18 -7.136 -9.731 0.923 1.00 0.00 C ATOM 217 CD PRO A 18 -6.215 -10.836 0.485 1.00 0.00 C ATOM 0 HA PRO A 18 -4.504 -8.208 -0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.833 -7.612 0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.904 -8.276 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.209 -9.692 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.145 -9.889 0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.171 -11.638 1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.542 -11.283 -0.454 1.00 0.00 H new ATOM 225 N PRO A 19 -3.559 -7.126 1.533 1.00 0.00 N ATOM 226 CA PRO A 19 -2.896 -6.470 2.664 1.00 0.00 C ATOM 227 C PRO A 19 -3.861 -5.628 3.492 1.00 0.00 C ATOM 228 O PRO A 19 -4.904 -5.198 3.000 1.00 0.00 O ATOM 229 CB PRO A 19 -1.848 -5.579 1.994 1.00 0.00 C ATOM 230 CG PRO A 19 -2.390 -5.315 0.632 1.00 0.00 C ATOM 231 CD PRO A 19 -3.146 -6.554 0.240 1.00 0.00 C ATOM 0 HA PRO A 19 -2.476 -7.192 3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.703 -4.652 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.879 -6.076 1.945 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.044 -4.443 0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.586 -5.108 -0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.005 -6.318 -0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.519 -7.245 -0.323 1.00 0.00 H new ATOM 239 N SER A 20 -3.505 -5.395 4.751 1.00 0.00 N ATOM 240 CA SER A 20 -4.341 -4.606 5.649 1.00 0.00 C ATOM 241 C SER A 20 -3.667 -3.281 5.994 1.00 0.00 C ATOM 242 O SER A 20 -2.787 -3.226 6.853 1.00 0.00 O ATOM 243 CB SER A 20 -4.635 -5.391 6.928 1.00 0.00 C ATOM 244 OG SER A 20 -5.827 -6.147 6.801 1.00 0.00 O ATOM 0 H SER A 20 -2.643 -5.741 5.173 1.00 0.00 H new ATOM 0 HA SER A 20 -5.280 -4.394 5.139 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.801 -6.057 7.150 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.725 -4.702 7.768 1.00 0.00 H new ATOM 0 HG SER A 20 -5.991 -6.641 7.631 1.00 0.00 H new ATOM 250 N ILE A 21 -4.088 -2.217 5.319 1.00 0.00 N ATOM 251 CA ILE A 21 -3.527 -0.893 5.555 1.00 0.00 C ATOM 252 C ILE A 21 -3.843 -0.405 6.965 1.00 0.00 C ATOM 253 O ILE A 21 -4.967 0.006 7.253 1.00 0.00 O ATOM 254 CB ILE A 21 -4.059 0.134 4.538 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.661 -0.271 3.117 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.535 1.524 4.864 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.347 0.544 2.042 1.00 0.00 C ATOM 0 H ILE A 21 -4.815 -2.246 4.605 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.447 -0.983 5.437 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.147 0.154 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.582 -0.167 3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.897 -1.325 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.920 2.238 4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.863 1.812 5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.446 1.520 4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.018 0.202 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.427 0.421 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.091 1.596 2.164 1.00 0.00 H new ATOM 269 N ARG A 22 -2.843 -0.452 7.839 1.00 0.00 N ATOM 270 CA ARG A 22 -3.014 -0.014 9.219 1.00 0.00 C ATOM 271 C ARG A 22 -2.986 1.509 9.314 1.00 0.00 C ATOM 272 O ARG A 22 -2.055 2.153 8.833 1.00 0.00 O ATOM 273 CB ARG A 22 -1.919 -0.611 10.106 1.00 0.00 C ATOM 274 CG ARG A 22 -1.929 -2.130 10.146 1.00 0.00 C ATOM 275 CD ARG A 22 -3.219 -2.663 10.749 1.00 0.00 C ATOM 276 NE ARG A 22 -4.339 -2.571 9.816 1.00 0.00 N ATOM 277 CZ ARG A 22 -5.610 -2.523 10.197 1.00 0.00 C ATOM 278 NH1 ARG A 22 -5.922 -2.557 11.486 1.00 0.00 N ATOM 279 NH2 ARG A 22 -6.573 -2.439 9.289 1.00 0.00 N ATOM 0 H ARG A 22 -1.906 -0.789 7.616 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.986 -0.365 9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.947 -0.272 9.747 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.036 -0.228 11.120 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.809 -2.522 9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.079 -2.485 10.729 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.078 -3.703 11.045 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.454 -2.103 11.654 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.134 -2.542 8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.184 -2.620 12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.899 -2.520 11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.338 -2.411 8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.549 -2.402 9.583 1.00 0.00 H new ATOM 293 N GLU A 23 -4.014 2.076 9.938 1.00 0.00 N ATOM 294 CA GLU A 23 -4.107 3.523 10.094 1.00 0.00 C ATOM 295 C GLU A 23 -3.397 3.980 11.365 1.00 0.00 C ATOM 296 O GLU A 23 -2.874 5.092 11.430 1.00 0.00 O ATOM 297 CB GLU A 23 -5.573 3.962 10.129 1.00 0.00 C ATOM 298 CG GLU A 23 -6.219 4.035 8.756 1.00 0.00 C ATOM 299 CD GLU A 23 -7.445 4.927 8.735 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.547 4.429 9.045 1.00 0.00 O ATOM 301 OE2 GLU A 23 -7.301 6.124 8.409 1.00 0.00 O ATOM 0 H GLU A 23 -4.793 1.556 10.343 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.617 3.987 9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.137 3.266 10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.639 4.940 10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.491 4.407 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.499 3.031 8.436 1.00 0.00 H new ATOM 308 N GLU A 24 -3.385 3.113 12.373 1.00 0.00 N ATOM 309 CA GLU A 24 -2.741 3.428 13.643 1.00 0.00 C ATOM 310 C GLU A 24 -1.222 3.440 13.495 1.00 0.00 C ATOM 311 O GLU A 24 -0.516 4.085 14.272 1.00 0.00 O ATOM 312 CB GLU A 24 -3.152 2.416 14.714 1.00 0.00 C ATOM 313 CG GLU A 24 -2.820 0.978 14.352 1.00 0.00 C ATOM 314 CD GLU A 24 -3.218 -0.004 15.436 1.00 0.00 C ATOM 315 OE1 GLU A 24 -3.123 0.358 16.628 1.00 0.00 O ATOM 316 OE2 GLU A 24 -3.625 -1.134 15.094 1.00 0.00 O ATOM 0 H GLU A 24 -3.813 2.188 12.335 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.067 4.422 13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.656 2.670 15.651 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.225 2.500 14.888 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.328 0.715 13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.750 0.892 14.165 1.00 0.00 H new ATOM 323 N LEU A 25 -0.726 2.723 12.493 1.00 0.00 N ATOM 324 CA LEU A 25 0.709 2.649 12.242 1.00 0.00 C ATOM 325 C LEU A 25 1.141 3.712 11.237 1.00 0.00 C ATOM 326 O LEU A 25 2.271 4.201 11.282 1.00 0.00 O ATOM 327 CB LEU A 25 1.086 1.260 11.726 1.00 0.00 C ATOM 328 CG LEU A 25 0.691 0.082 12.618 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.199 -1.226 12.032 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.225 0.280 14.029 1.00 0.00 C ATOM 0 H LEU A 25 -1.296 2.184 11.841 1.00 0.00 H new ATOM 0 HA LEU A 25 1.227 2.833 13.183 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.625 1.120 10.748 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.165 1.231 11.576 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.397 0.036 12.666 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.908 -2.052 12.681 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.768 -1.373 11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.286 -1.192 11.953 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.935 -0.567 14.650 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.312 0.353 14.000 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.811 1.197 14.449 1.00 0.00 H new ATOM 342 N CYS A 26 0.235 4.067 10.332 1.00 0.00 N ATOM 343 CA CYS A 26 0.522 5.074 9.317 1.00 0.00 C ATOM 344 C CYS A 26 0.559 6.470 9.930 1.00 0.00 C ATOM 345 O CYS A 26 -0.068 6.725 10.959 1.00 0.00 O ATOM 346 CB CYS A 26 -0.527 5.019 8.205 1.00 0.00 C ATOM 347 SG CYS A 26 -2.042 5.934 8.573 1.00 0.00 S ATOM 0 H CYS A 26 -0.704 3.672 10.281 1.00 0.00 H new ATOM 0 HA CYS A 26 1.503 4.858 8.893 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.090 5.415 7.288 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.782 3.977 8.012 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.432 5.659 9.782 1.00 0.00 H new ATOM 353 N THR A 27 1.299 7.371 9.292 1.00 0.00 N ATOM 354 CA THR A 27 1.420 8.741 9.775 1.00 0.00 C ATOM 355 C THR A 27 1.171 9.744 8.655 1.00 0.00 C ATOM 356 O THR A 27 1.444 9.465 7.488 1.00 0.00 O ATOM 357 CB THR A 27 2.813 9.001 10.381 1.00 0.00 C ATOM 358 OG1 THR A 27 3.814 8.920 9.361 1.00 0.00 O ATOM 359 CG2 THR A 27 3.120 7.997 11.482 1.00 0.00 C ATOM 0 H THR A 27 1.824 7.177 8.439 1.00 0.00 H new ATOM 0 HA THR A 27 0.664 8.871 10.549 1.00 0.00 H new ATOM 0 HB THR A 27 2.816 10.002 10.813 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.696 9.088 9.754 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.108 8.200 11.895 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.373 8.082 12.271 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.099 6.988 11.070 1.00 0.00 H new ATOM 367 N ALA A 28 0.650 10.911 9.018 1.00 0.00 N ATOM 368 CA ALA A 28 0.366 11.957 8.043 1.00 0.00 C ATOM 369 C ALA A 28 1.206 13.201 8.312 1.00 0.00 C ATOM 370 O ALA A 28 1.275 13.682 9.443 1.00 0.00 O ATOM 371 CB ALA A 28 -1.115 12.304 8.057 1.00 0.00 C ATOM 0 H ALA A 28 0.416 11.156 9.980 1.00 0.00 H new ATOM 0 HA ALA A 28 0.630 11.580 7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.312 13.086 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.699 11.418 7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.397 12.657 9.049 1.00 0.00 H new ATOM 377 N SER A 29 1.842 13.718 7.265 1.00 0.00 N ATOM 378 CA SER A 29 2.681 14.904 7.390 1.00 0.00 C ATOM 379 C SER A 29 2.292 15.955 6.356 1.00 0.00 C ATOM 380 O SER A 29 1.559 15.670 5.408 1.00 0.00 O ATOM 381 CB SER A 29 4.156 14.531 7.226 1.00 0.00 C ATOM 382 OG SER A 29 4.989 15.405 7.969 1.00 0.00 O ATOM 0 H SER A 29 1.792 13.334 6.321 1.00 0.00 H new ATOM 0 HA SER A 29 2.529 15.324 8.384 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.314 13.504 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.430 14.572 6.172 1.00 0.00 H new ATOM 0 HG SER A 29 4.886 16.320 7.633 1.00 0.00 H new ATOM 388 N HIS A 30 2.789 17.174 6.544 1.00 0.00 N ATOM 389 CA HIS A 30 2.495 18.270 5.628 1.00 0.00 C ATOM 390 C HIS A 30 2.560 17.798 4.178 1.00 0.00 C ATOM 391 O HIS A 30 1.543 17.740 3.488 1.00 0.00 O ATOM 392 CB HIS A 30 3.475 19.423 5.846 1.00 0.00 C ATOM 393 CG HIS A 30 4.884 18.974 6.082 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.307 18.412 7.268 1.00 0.00 N ATOM 395 CD2 HIS A 30 5.970 19.005 5.274 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.592 18.119 7.181 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.018 18.468 5.981 1.00 0.00 N ATOM 0 H HIS A 30 3.397 17.427 7.323 1.00 0.00 H new ATOM 0 HA HIS A 30 1.483 18.620 5.833 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.452 20.078 4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.143 20.015 6.699 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.006 19.382 4.262 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.192 17.670 7.959 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.971 18.357 5.635 1.00 0.00 H new ATOM 406 N ASP A 31 3.763 17.464 3.724 1.00 0.00 N ATOM 407 CA ASP A 31 3.962 16.997 2.357 1.00 0.00 C ATOM 408 C ASP A 31 4.599 15.611 2.343 1.00 0.00 C ATOM 409 O ASP A 31 5.443 15.312 1.497 1.00 0.00 O ATOM 410 CB ASP A 31 4.837 17.982 1.581 1.00 0.00 C ATOM 411 CG ASP A 31 4.597 19.421 1.996 1.00 0.00 C ATOM 412 OD1 ASP A 31 3.421 19.793 2.193 1.00 0.00 O ATOM 413 OD2 ASP A 31 5.584 20.174 2.124 1.00 0.00 O ATOM 0 H ASP A 31 4.615 17.508 4.283 1.00 0.00 H new ATOM 0 HA ASP A 31 2.986 16.933 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.886 17.732 1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.639 17.877 0.514 1.00 0.00 H new ATOM 418 N THR A 32 4.191 14.768 3.287 1.00 0.00 N ATOM 419 CA THR A 32 4.723 13.415 3.384 1.00 0.00 C ATOM 420 C THR A 32 3.804 12.521 4.210 1.00 0.00 C ATOM 421 O THR A 32 3.321 12.921 5.269 1.00 0.00 O ATOM 422 CB THR A 32 6.129 13.408 4.015 1.00 0.00 C ATOM 423 OG1 THR A 32 6.271 14.519 4.906 1.00 0.00 O ATOM 424 CG2 THR A 32 7.204 13.473 2.940 1.00 0.00 C ATOM 0 H THR A 32 3.494 14.999 3.995 1.00 0.00 H new ATOM 0 HA THR A 32 4.787 13.027 2.367 1.00 0.00 H new ATOM 0 HB THR A 32 6.249 12.479 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.166 14.507 5.304 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.188 13.467 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.111 12.611 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.084 14.388 2.360 1.00 0.00 H new ATOM 432 N ILE A 33 3.568 11.309 3.719 1.00 0.00 N ATOM 433 CA ILE A 33 2.709 10.358 4.413 1.00 0.00 C ATOM 434 C ILE A 33 3.310 8.957 4.393 1.00 0.00 C ATOM 435 O ILE A 33 3.777 8.483 3.356 1.00 0.00 O ATOM 436 CB ILE A 33 1.303 10.310 3.787 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.590 11.651 3.974 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.488 9.181 4.401 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.760 11.718 3.296 1.00 0.00 C ATOM 0 H ILE A 33 3.960 10.963 2.843 1.00 0.00 H new ATOM 0 HA ILE A 33 2.628 10.701 5.445 1.00 0.00 H new ATOM 0 HB ILE A 33 1.404 10.120 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.462 11.839 5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.223 12.447 3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.503 9.160 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.990 8.230 4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.393 9.343 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.207 12.697 3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.637 11.562 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.411 10.944 3.703 1.00 0.00 H new ATOM 451 N THR A 34 3.296 8.296 5.546 1.00 0.00 N ATOM 452 CA THR A 34 3.839 6.949 5.662 1.00 0.00 C ATOM 453 C THR A 34 2.735 5.932 5.929 1.00 0.00 C ATOM 454 O THR A 34 2.140 5.915 7.007 1.00 0.00 O ATOM 455 CB THR A 34 4.886 6.860 6.788 1.00 0.00 C ATOM 456 OG1 THR A 34 5.749 8.002 6.745 1.00 0.00 O ATOM 457 CG2 THR A 34 5.712 5.589 6.660 1.00 0.00 C ATOM 0 H THR A 34 2.914 8.672 6.414 1.00 0.00 H new ATOM 0 HA THR A 34 4.319 6.719 4.711 1.00 0.00 H new ATOM 0 HB THR A 34 4.360 6.838 7.742 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.411 7.939 7.465 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.445 5.548 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.056 4.721 6.722 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.228 5.586 5.700 1.00 0.00 H new ATOM 465 N VAL A 35 2.466 5.084 4.941 1.00 0.00 N ATOM 466 CA VAL A 35 1.434 4.062 5.071 1.00 0.00 C ATOM 467 C VAL A 35 2.042 2.709 5.420 1.00 0.00 C ATOM 468 O VAL A 35 3.008 2.269 4.794 1.00 0.00 O ATOM 469 CB VAL A 35 0.614 3.925 3.774 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.433 2.832 3.917 1.00 0.00 C ATOM 471 CG2 VAL A 35 -0.035 5.253 3.412 1.00 0.00 C ATOM 0 H VAL A 35 2.948 5.085 4.042 1.00 0.00 H new ATOM 0 HA VAL A 35 0.774 4.379 5.878 1.00 0.00 H new ATOM 0 HB VAL A 35 1.289 3.644 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.002 2.750 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.059 1.882 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.107 3.079 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.610 5.138 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.698 5.566 4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.738 6.007 3.264 1.00 0.00 H new ATOM 481 N HIS A 36 1.470 2.050 6.423 1.00 0.00 N ATOM 482 CA HIS A 36 1.955 0.744 6.855 1.00 0.00 C ATOM 483 C HIS A 36 0.936 -0.346 6.537 1.00 0.00 C ATOM 484 O HIS A 36 -0.220 -0.269 6.953 1.00 0.00 O ATOM 485 CB HIS A 36 2.253 0.758 8.355 1.00 0.00 C ATOM 486 CG HIS A 36 3.309 1.745 8.747 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.353 1.435 9.592 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.479 3.043 8.402 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.119 2.499 9.752 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.610 3.489 9.040 1.00 0.00 N ATOM 0 H HIS A 36 0.670 2.399 6.952 1.00 0.00 H new ATOM 0 HA HIS A 36 2.875 0.527 6.311 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.335 0.986 8.897 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.567 -0.239 8.664 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.510 0.525 10.026 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.843 3.620 7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.009 2.551 10.361 1.00 0.00 H new ATOM 499 N TRP A 37 1.373 -1.359 5.798 1.00 0.00 N ATOM 500 CA TRP A 37 0.499 -2.465 5.424 1.00 0.00 C ATOM 501 C TRP A 37 0.928 -3.756 6.112 1.00 0.00 C ATOM 502 O TRP A 37 2.113 -4.087 6.146 1.00 0.00 O ATOM 503 CB TRP A 37 0.504 -2.656 3.906 1.00 0.00 C ATOM 504 CG TRP A 37 1.877 -2.599 3.306 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.768 -3.628 3.201 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.513 -1.453 2.730 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.921 -3.191 2.594 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.790 -1.861 2.295 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.129 -0.124 2.537 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.681 -0.985 1.681 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.015 0.744 1.928 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.279 0.311 1.505 1.00 0.00 C ATOM 0 H TRP A 37 2.327 -1.438 5.446 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.512 -2.221 5.749 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.050 -3.617 3.666 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.118 -1.887 3.448 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.593 -4.637 3.544 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.741 -3.764 2.398 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.157 0.219 2.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.656 -1.317 1.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.728 1.774 1.775 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.948 1.014 1.031 1.00 0.00 H new ATOM 523 N ILE A 38 -0.042 -4.480 6.660 1.00 0.00 N ATOM 524 CA ILE A 38 0.237 -5.735 7.347 1.00 0.00 C ATOM 525 C ILE A 38 -0.308 -6.924 6.562 1.00 0.00 C ATOM 526 O ILE A 38 -1.474 -6.939 6.169 1.00 0.00 O ATOM 527 CB ILE A 38 -0.368 -5.749 8.763 1.00 0.00 C ATOM 528 CG1 ILE A 38 -0.020 -7.056 9.477 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.876 -5.560 8.697 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.313 -7.019 10.190 1.00 0.00 C ATOM 0 H ILE A 38 -1.028 -4.219 6.642 1.00 0.00 H new ATOM 0 HA ILE A 38 1.321 -5.818 7.423 1.00 0.00 H new ATOM 0 HB ILE A 38 0.057 -4.922 9.332 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.803 -7.285 10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.011 -7.867 8.749 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.289 -5.572 9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.103 -4.605 8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.319 -6.368 8.114 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.494 -7.979 10.674 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.106 -6.821 9.469 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.301 -6.230 10.942 1.00 0.00 H new ATOM 542 N SER A 39 0.544 -7.919 6.339 1.00 0.00 N ATOM 543 CA SER A 39 0.149 -9.112 5.599 1.00 0.00 C ATOM 544 C SER A 39 0.558 -10.376 6.349 1.00 0.00 C ATOM 545 O SER A 39 1.514 -10.370 7.125 1.00 0.00 O ATOM 546 CB SER A 39 0.780 -9.106 4.205 1.00 0.00 C ATOM 547 OG SER A 39 0.733 -10.395 3.618 1.00 0.00 O ATOM 0 H SER A 39 1.512 -7.923 6.660 1.00 0.00 H new ATOM 0 HA SER A 39 -0.936 -9.105 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.256 -8.394 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.815 -8.771 4.272 1.00 0.00 H new ATOM 0 HG SER A 39 1.141 -10.364 2.727 1.00 0.00 H new ATOM 553 N ASP A 40 -0.174 -11.459 6.112 1.00 0.00 N ATOM 554 CA ASP A 40 0.112 -12.733 6.764 1.00 0.00 C ATOM 555 C ASP A 40 1.094 -13.557 5.938 1.00 0.00 C ATOM 556 O ASP A 40 1.890 -14.322 6.484 1.00 0.00 O ATOM 557 CB ASP A 40 -1.181 -13.521 6.978 1.00 0.00 C ATOM 558 CG ASP A 40 -1.940 -13.751 5.686 1.00 0.00 C ATOM 559 OD1 ASP A 40 -1.943 -12.842 4.830 1.00 0.00 O ATOM 560 OD2 ASP A 40 -2.532 -14.840 5.531 1.00 0.00 O ATOM 0 H ASP A 40 -0.969 -11.481 5.474 1.00 0.00 H new ATOM 0 HA ASP A 40 0.566 -12.524 7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.946 -14.483 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.819 -12.983 7.680 1.00 0.00 H new ATOM 565 N ASP A 41 1.033 -13.397 4.621 1.00 0.00 N ATOM 566 CA ASP A 41 1.917 -14.126 3.720 1.00 0.00 C ATOM 567 C ASP A 41 2.558 -13.183 2.706 1.00 0.00 C ATOM 568 O ASP A 41 1.932 -12.800 1.719 1.00 0.00 O ATOM 569 CB ASP A 41 1.143 -15.227 2.992 1.00 0.00 C ATOM 570 CG ASP A 41 0.517 -16.223 3.948 1.00 0.00 C ATOM 571 OD1 ASP A 41 0.268 -15.851 5.115 1.00 0.00 O ATOM 572 OD2 ASP A 41 0.275 -17.374 3.530 1.00 0.00 O ATOM 0 H ASP A 41 0.380 -12.768 4.153 1.00 0.00 H new ATOM 0 HA ASP A 41 2.708 -14.581 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.362 -14.775 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.815 -15.752 2.314 1.00 0.00 H new ATOM 577 N GLU A 42 3.809 -12.813 2.959 1.00 0.00 N ATOM 578 CA GLU A 42 4.534 -11.913 2.069 1.00 0.00 C ATOM 579 C GLU A 42 5.698 -12.634 1.396 1.00 0.00 C ATOM 580 O GLU A 42 6.040 -12.348 0.249 1.00 0.00 O ATOM 581 CB GLU A 42 5.051 -10.700 2.845 1.00 0.00 C ATOM 582 CG GLU A 42 5.971 -11.062 3.999 1.00 0.00 C ATOM 583 CD GLU A 42 6.015 -9.989 5.069 1.00 0.00 C ATOM 584 OE1 GLU A 42 5.116 -9.978 5.935 1.00 0.00 O ATOM 585 OE2 GLU A 42 6.948 -9.159 5.040 1.00 0.00 O ATOM 0 H GLU A 42 4.342 -13.122 3.772 1.00 0.00 H new ATOM 0 HA GLU A 42 3.844 -11.574 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.584 -10.041 2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.201 -10.138 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.638 -12.000 4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.978 -11.230 3.617 1.00 0.00 H new ATOM 592 N PHE A 43 6.303 -13.571 2.119 1.00 0.00 N ATOM 593 CA PHE A 43 7.430 -14.333 1.593 1.00 0.00 C ATOM 594 C PHE A 43 7.193 -14.720 0.136 1.00 0.00 C ATOM 595 O PHE A 43 8.133 -14.820 -0.652 1.00 0.00 O ATOM 596 CB PHE A 43 7.661 -15.589 2.435 1.00 0.00 C ATOM 597 CG PHE A 43 7.912 -15.299 3.888 1.00 0.00 C ATOM 598 CD1 PHE A 43 6.855 -15.091 4.759 1.00 0.00 C ATOM 599 CD2 PHE A 43 9.205 -15.234 4.381 1.00 0.00 C ATOM 600 CE1 PHE A 43 7.082 -14.825 6.096 1.00 0.00 C ATOM 601 CE2 PHE A 43 9.438 -14.969 5.717 1.00 0.00 C ATOM 602 CZ PHE A 43 8.376 -14.763 6.576 1.00 0.00 C ATOM 0 H PHE A 43 6.032 -13.821 3.070 1.00 0.00 H new ATOM 0 HA PHE A 43 8.317 -13.702 1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.791 -16.240 2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.512 -16.137 2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.841 -15.137 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.040 -15.392 3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.249 -14.666 6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.451 -14.923 6.090 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.557 -14.554 7.620 1.00 0.00 H new ATOM 612 N SER A 44 5.929 -14.936 -0.214 1.00 0.00 N ATOM 613 CA SER A 44 5.567 -15.317 -1.574 1.00 0.00 C ATOM 614 C SER A 44 5.544 -14.098 -2.491 1.00 0.00 C ATOM 615 O SER A 44 6.077 -14.132 -3.601 1.00 0.00 O ATOM 616 CB SER A 44 4.201 -16.006 -1.588 1.00 0.00 C ATOM 617 OG SER A 44 4.114 -16.984 -0.567 1.00 0.00 O ATOM 0 H SER A 44 5.139 -14.854 0.425 1.00 0.00 H new ATOM 0 HA SER A 44 6.320 -16.014 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.414 -15.264 -1.453 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.036 -16.473 -2.559 1.00 0.00 H new ATOM 0 HG SER A 44 3.231 -17.409 -0.595 1.00 0.00 H new ATOM 623 N ILE A 45 4.923 -13.022 -2.019 1.00 0.00 N ATOM 624 CA ILE A 45 4.831 -11.792 -2.796 1.00 0.00 C ATOM 625 C ILE A 45 6.203 -11.354 -3.297 1.00 0.00 C ATOM 626 O ILE A 45 7.114 -11.108 -2.507 1.00 0.00 O ATOM 627 CB ILE A 45 4.210 -10.650 -1.969 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.841 -11.068 -1.429 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.090 -9.390 -2.813 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.253 -10.081 -0.445 1.00 0.00 C ATOM 0 H ILE A 45 4.476 -12.977 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 45 4.187 -12.005 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 45 4.864 -10.437 -1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.152 -11.190 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.932 -12.041 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.650 -8.592 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.079 -9.085 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.455 -9.589 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.283 -10.442 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.922 -9.976 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.130 -9.113 -0.930 1.00 0.00 H new ATOM 642 N SER A 46 6.342 -11.257 -4.615 1.00 0.00 N ATOM 643 CA SER A 46 7.604 -10.850 -5.223 1.00 0.00 C ATOM 644 C SER A 46 7.904 -9.385 -4.921 1.00 0.00 C ATOM 645 O SER A 46 9.027 -9.032 -4.563 1.00 0.00 O ATOM 646 CB SER A 46 7.561 -11.073 -6.736 1.00 0.00 C ATOM 647 OG SER A 46 8.854 -11.344 -7.248 1.00 0.00 O ATOM 0 H SER A 46 5.597 -11.455 -5.283 1.00 0.00 H new ATOM 0 HA SER A 46 8.399 -11.461 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.894 -11.904 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.150 -10.190 -7.225 1.00 0.00 H new ATOM 0 HG SER A 46 8.800 -11.484 -8.216 1.00 0.00 H new ATOM 653 N SER A 47 6.892 -8.537 -5.070 1.00 0.00 N ATOM 654 CA SER A 47 7.047 -7.109 -4.818 1.00 0.00 C ATOM 655 C SER A 47 5.708 -6.472 -4.461 1.00 0.00 C ATOM 656 O SER A 47 4.647 -7.009 -4.780 1.00 0.00 O ATOM 657 CB SER A 47 7.644 -6.416 -6.044 1.00 0.00 C ATOM 658 OG SER A 47 6.904 -6.720 -7.214 1.00 0.00 O ATOM 0 H SER A 47 5.955 -8.814 -5.364 1.00 0.00 H new ATOM 0 HA SER A 47 7.725 -6.985 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.654 -5.337 -5.887 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.680 -6.729 -6.174 1.00 0.00 H new ATOM 0 HG SER A 47 7.305 -6.263 -7.983 1.00 0.00 H new ATOM 664 N TYR A 48 5.766 -5.323 -3.797 1.00 0.00 N ATOM 665 CA TYR A 48 4.558 -4.612 -3.393 1.00 0.00 C ATOM 666 C TYR A 48 4.350 -3.364 -4.246 1.00 0.00 C ATOM 667 O TYR A 48 5.293 -2.837 -4.834 1.00 0.00 O ATOM 668 CB TYR A 48 4.639 -4.226 -1.915 1.00 0.00 C ATOM 669 CG TYR A 48 3.999 -5.236 -0.990 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.617 -5.367 -0.922 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.775 -6.059 -0.183 1.00 0.00 C ATOM 672 CE1 TYR A 48 2.027 -6.288 -0.077 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.194 -6.983 0.663 1.00 0.00 C ATOM 674 CZ TYR A 48 2.820 -7.094 0.713 1.00 0.00 C ATOM 675 OH TYR A 48 2.238 -8.013 1.555 1.00 0.00 O ATOM 0 H TYR A 48 6.636 -4.864 -3.527 1.00 0.00 H new ATOM 0 HA TYR A 48 3.708 -5.277 -3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.686 -4.103 -1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.156 -3.259 -1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.993 -4.738 -1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.851 -5.975 -0.218 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.951 -6.376 -0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.812 -7.616 1.282 1.00 0.00 H new ATOM 0 HH TYR A 48 2.936 -8.501 2.040 1.00 0.00 H new ATOM 685 N GLU A 49 3.106 -2.897 -4.306 1.00 0.00 N ATOM 686 CA GLU A 49 2.773 -1.712 -5.086 1.00 0.00 C ATOM 687 C GLU A 49 1.923 -0.743 -4.269 1.00 0.00 C ATOM 688 O GLU A 49 0.959 -1.145 -3.616 1.00 0.00 O ATOM 689 CB GLU A 49 2.030 -2.107 -6.364 1.00 0.00 C ATOM 690 CG GLU A 49 1.816 -0.951 -7.326 1.00 0.00 C ATOM 691 CD GLU A 49 0.512 -0.217 -7.076 1.00 0.00 C ATOM 692 OE1 GLU A 49 0.035 -0.232 -5.922 1.00 0.00 O ATOM 693 OE2 GLU A 49 -0.032 0.370 -8.034 1.00 0.00 O ATOM 0 H GLU A 49 2.314 -3.321 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 49 3.704 -1.213 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.590 -2.892 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.062 -2.529 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.646 -0.250 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.826 -1.328 -8.349 1.00 0.00 H new ATOM 700 N LEU A 50 2.288 0.534 -4.309 1.00 0.00 N ATOM 701 CA LEU A 50 1.560 1.561 -3.572 1.00 0.00 C ATOM 702 C LEU A 50 0.770 2.456 -4.521 1.00 0.00 C ATOM 703 O LEU A 50 1.243 2.796 -5.605 1.00 0.00 O ATOM 704 CB LEU A 50 2.530 2.406 -2.744 1.00 0.00 C ATOM 705 CG LEU A 50 1.899 3.294 -1.671 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.435 2.456 -0.490 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.883 4.362 -1.216 1.00 0.00 C ATOM 0 H LEU A 50 3.083 0.883 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 50 0.858 1.064 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.242 1.737 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.099 3.040 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 50 1.029 3.790 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.989 3.105 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.696 1.730 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.288 1.932 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.417 4.985 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.772 3.885 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.166 4.982 -2.067 1.00 0.00 H new ATOM 719 N GLN A 51 -0.434 2.834 -4.105 1.00 0.00 N ATOM 720 CA GLN A 51 -1.288 3.691 -4.918 1.00 0.00 C ATOM 721 C GLN A 51 -1.816 4.866 -4.102 1.00 0.00 C ATOM 722 O GLN A 51 -2.560 4.681 -3.138 1.00 0.00 O ATOM 723 CB GLN A 51 -2.457 2.886 -5.490 1.00 0.00 C ATOM 724 CG GLN A 51 -2.053 1.521 -6.023 1.00 0.00 C ATOM 725 CD GLN A 51 -3.210 0.776 -6.657 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.373 1.132 -6.465 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.898 -0.265 -7.420 1.00 0.00 N ATOM 0 H GLN A 51 -0.840 2.560 -3.210 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.689 4.083 -5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.211 2.755 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.922 3.457 -6.293 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.258 1.643 -6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.644 0.924 -5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.921 -0.526 -7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.636 -0.804 -7.874 1.00 0.00 H new ATOM 736 N TYR A 52 -1.426 6.074 -4.493 1.00 0.00 N ATOM 737 CA TYR A 52 -1.858 7.280 -3.796 1.00 0.00 C ATOM 738 C TYR A 52 -2.450 8.292 -4.772 1.00 0.00 C ATOM 739 O TYR A 52 -2.008 8.402 -5.916 1.00 0.00 O ATOM 740 CB TYR A 52 -0.683 7.907 -3.043 1.00 0.00 C ATOM 741 CG TYR A 52 0.412 8.421 -3.951 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.350 7.556 -4.499 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.507 9.772 -4.261 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.353 8.021 -5.328 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.505 10.246 -5.090 1.00 0.00 C ATOM 746 CZ TYR A 52 2.426 9.367 -5.620 1.00 0.00 C ATOM 747 OH TYR A 52 3.422 9.834 -6.447 1.00 0.00 O ATOM 0 H TYR A 52 -0.811 6.244 -5.289 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.631 6.998 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.052 8.730 -2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.262 7.167 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.295 6.501 -4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.212 10.463 -3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.075 7.335 -5.745 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.564 11.299 -5.322 1.00 0.00 H new ATOM 0 HH TYR A 52 3.038 10.450 -7.106 1.00 0.00 H new ATOM 757 N THR A 53 -3.455 9.030 -4.312 1.00 0.00 N ATOM 758 CA THR A 53 -4.109 10.033 -5.142 1.00 0.00 C ATOM 759 C THR A 53 -4.803 11.088 -4.287 1.00 0.00 C ATOM 760 O THR A 53 -5.358 10.778 -3.233 1.00 0.00 O ATOM 761 CB THR A 53 -5.144 9.393 -6.086 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.558 10.341 -7.076 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.356 8.902 -5.308 1.00 0.00 C ATOM 0 H THR A 53 -3.834 8.952 -3.368 1.00 0.00 H new ATOM 0 HA THR A 53 -3.329 10.507 -5.737 1.00 0.00 H new ATOM 0 HB THR A 53 -4.676 8.539 -6.576 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.215 9.925 -7.673 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.073 8.454 -5.996 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.042 8.158 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.823 9.742 -4.794 1.00 0.00 H new ATOM 771 N ILE A 54 -4.767 12.334 -4.749 1.00 0.00 N ATOM 772 CA ILE A 54 -5.394 13.433 -4.026 1.00 0.00 C ATOM 773 C ILE A 54 -6.914 13.315 -4.057 1.00 0.00 C ATOM 774 O ILE A 54 -7.534 13.412 -5.117 1.00 0.00 O ATOM 775 CB ILE A 54 -4.984 14.798 -4.611 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.491 15.044 -4.389 1.00 0.00 C ATOM 777 CG2 ILE A 54 -5.809 15.912 -3.985 1.00 0.00 C ATOM 778 CD1 ILE A 54 -2.874 15.975 -5.409 1.00 0.00 C ATOM 0 H ILE A 54 -4.311 12.607 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.048 13.370 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.176 14.790 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.344 15.461 -3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.966 14.089 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.508 16.870 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.866 15.741 -4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.646 15.924 -2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.814 16.104 -5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.989 15.550 -6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.373 16.943 -5.367 1.00 0.00 H new ATOM 790 N PHE A 55 -7.510 13.108 -2.888 1.00 0.00 N ATOM 791 CA PHE A 55 -8.959 12.978 -2.780 1.00 0.00 C ATOM 792 C PHE A 55 -9.599 14.314 -2.414 1.00 0.00 C ATOM 793 O PHE A 55 -9.528 14.757 -1.267 1.00 0.00 O ATOM 794 CB PHE A 55 -9.321 11.922 -1.734 1.00 0.00 C ATOM 795 CG PHE A 55 -10.793 11.635 -1.657 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.374 10.696 -2.494 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.597 12.304 -0.748 1.00 0.00 C ATOM 798 CE1 PHE A 55 -12.728 10.429 -2.426 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.951 12.041 -0.674 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.518 11.103 -1.516 1.00 0.00 C ATOM 0 H PHE A 55 -7.012 13.027 -2.001 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.344 12.665 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.790 10.998 -1.963 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.972 12.256 -0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.761 10.166 -3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.160 13.040 -0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.168 9.694 -3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.566 12.568 0.041 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.577 10.898 -1.462 1.00 0.00 H new ATOM 1050 N MET A 72 -1.052 7.814 -9.084 1.00 0.00 N ATOM 1051 CA MET A 72 0.401 7.696 -9.042 1.00 0.00 C ATOM 1052 C MET A 72 0.823 6.432 -8.301 1.00 0.00 C ATOM 1053 O MET A 72 0.470 6.236 -7.138 1.00 0.00 O ATOM 1054 CB MET A 72 1.014 8.925 -8.369 1.00 0.00 C ATOM 1055 CG MET A 72 0.980 10.174 -9.235 1.00 0.00 C ATOM 1056 SD MET A 72 0.841 11.688 -8.266 1.00 0.00 S ATOM 1057 CE MET A 72 -0.750 11.442 -7.481 1.00 0.00 C ATOM 0 HA MET A 72 0.765 7.633 -10.067 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.481 9.123 -7.439 1.00 0.00 H new ATOM 0 HB3 MET A 72 2.048 8.705 -8.103 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.886 10.216 -9.840 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.138 10.110 -9.925 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.466 12.162 -7.877 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.103 10.430 -7.682 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.651 11.584 -6.405 1.00 0.00 H new ATOM 1067 N ILE A 73 1.579 5.577 -8.981 1.00 0.00 N ATOM 1068 CA ILE A 73 2.049 4.332 -8.386 1.00 0.00 C ATOM 1069 C ILE A 73 3.554 4.372 -8.145 1.00 0.00 C ATOM 1070 O ILE A 73 4.279 5.123 -8.798 1.00 0.00 O ATOM 1071 CB ILE A 73 1.715 3.121 -9.276 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.200 2.996 -9.458 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.288 1.846 -8.674 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.591 3.411 -8.237 1.00 0.00 C ATOM 0 H ILE A 73 1.879 5.724 -9.945 1.00 0.00 H new ATOM 0 HA ILE A 73 1.533 4.224 -7.432 1.00 0.00 H new ATOM 0 HB ILE A 73 2.169 3.273 -10.255 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.108 3.608 -10.306 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.044 1.963 -9.705 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.043 0.999 -9.315 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.371 1.937 -8.591 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.861 1.687 -7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.656 3.297 -8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.311 2.783 -7.391 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.376 4.453 -8.001 1.00 0.00 H new ATOM 1086 N VAL A 74 4.019 3.556 -7.205 1.00 0.00 N ATOM 1087 CA VAL A 74 5.439 3.495 -6.879 1.00 0.00 C ATOM 1088 C VAL A 74 5.912 2.051 -6.748 1.00 0.00 C ATOM 1089 O VAL A 74 5.803 1.430 -5.691 1.00 0.00 O ATOM 1090 CB VAL A 74 5.748 4.245 -5.570 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.225 4.134 -5.226 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.325 5.702 -5.679 1.00 0.00 C ATOM 0 H VAL A 74 3.433 2.928 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 74 5.972 3.976 -7.699 1.00 0.00 H new ATOM 0 HB VAL A 74 5.177 3.784 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.424 4.670 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.492 3.084 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.819 4.568 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.551 6.217 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.867 6.178 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.254 5.756 -5.874 1.00 0.00 H new ATOM 1102 N PRO A 75 6.449 1.503 -7.848 1.00 0.00 N ATOM 1103 CA PRO A 75 6.951 0.126 -7.882 1.00 0.00 C ATOM 1104 C PRO A 75 8.220 -0.050 -7.055 1.00 0.00 C ATOM 1105 O PRO A 75 8.575 0.815 -6.256 1.00 0.00 O ATOM 1106 CB PRO A 75 7.243 -0.109 -9.366 1.00 0.00 C ATOM 1107 CG PRO A 75 7.493 1.250 -9.923 1.00 0.00 C ATOM 1108 CD PRO A 75 6.610 2.185 -9.143 1.00 0.00 C ATOM 0 HA PRO A 75 6.236 -0.578 -7.457 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.109 -0.758 -9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.402 -0.592 -9.863 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.542 1.527 -9.820 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.256 1.286 -10.986 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.069 3.167 -9.026 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.651 2.339 -9.638 1.00 0.00 H new ATOM 1116 N ASN A 76 8.899 -1.175 -7.252 1.00 0.00 N ATOM 1117 CA ASN A 76 10.129 -1.464 -6.524 1.00 0.00 C ATOM 1118 C ASN A 76 9.950 -1.206 -5.031 1.00 0.00 C ATOM 1119 O ASN A 76 10.716 -0.457 -4.424 1.00 0.00 O ATOM 1120 CB ASN A 76 11.279 -0.612 -7.066 1.00 0.00 C ATOM 1121 CG ASN A 76 10.853 0.813 -7.361 1.00 0.00 C ATOM 1122 OD1 ASN A 76 10.317 1.104 -8.430 1.00 0.00 O ATOM 1123 ND2 ASN A 76 11.092 1.711 -6.412 1.00 0.00 N ATOM 0 H ASN A 76 8.618 -1.902 -7.910 1.00 0.00 H new ATOM 0 HA ASN A 76 10.368 -2.518 -6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.093 -0.602 -6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.668 -1.068 -7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.829 2.686 -6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.539 1.426 -5.541 1.00 0.00 H new ATOM 1130 N ILE A 77 8.935 -1.832 -4.446 1.00 0.00 N ATOM 1131 CA ILE A 77 8.657 -1.671 -3.024 1.00 0.00 C ATOM 1132 C ILE A 77 8.996 -2.941 -2.251 1.00 0.00 C ATOM 1133 O ILE A 77 8.296 -3.950 -2.353 1.00 0.00 O ATOM 1134 CB ILE A 77 7.180 -1.312 -2.776 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.801 -0.053 -3.558 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.925 -1.116 -1.289 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.440 0.499 -3.192 1.00 0.00 C ATOM 0 H ILE A 77 8.292 -2.455 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 77 9.285 -0.854 -2.670 1.00 0.00 H new ATOM 0 HB ILE A 77 6.557 -2.135 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.555 0.715 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.818 -0.278 -4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.877 -0.863 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.161 -2.036 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.554 -0.308 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.238 1.391 -3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.676 -0.252 -3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.425 0.756 -2.133 1.00 0.00 H new ATOM 1149 N LYS A 78 10.073 -2.885 -1.475 1.00 0.00 N ATOM 1150 CA LYS A 78 10.505 -4.030 -0.681 1.00 0.00 C ATOM 1151 C LYS A 78 10.474 -3.701 0.808 1.00 0.00 C ATOM 1152 O LYS A 78 11.397 -4.044 1.547 1.00 0.00 O ATOM 1153 CB LYS A 78 11.916 -4.457 -1.091 1.00 0.00 C ATOM 1154 CG LYS A 78 12.023 -4.889 -2.543 1.00 0.00 C ATOM 1155 CD LYS A 78 11.585 -6.331 -2.730 1.00 0.00 C ATOM 1156 CE LYS A 78 11.761 -6.785 -4.172 1.00 0.00 C ATOM 1157 NZ LYS A 78 13.147 -7.257 -4.440 1.00 0.00 N ATOM 0 H LYS A 78 10.663 -2.059 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 78 9.815 -4.852 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.603 -3.629 -0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.238 -5.279 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.407 -4.238 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.052 -4.774 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.165 -6.977 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.540 -6.435 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.056 -7.588 -4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.522 -5.961 -4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.226 -7.557 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.818 -6.484 -4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.367 -8.060 -3.817 1.00 0.00 H new ATOM 1171 N GLN A 79 9.408 -3.036 1.241 1.00 0.00 N ATOM 1172 CA GLN A 79 9.258 -2.662 2.643 1.00 0.00 C ATOM 1173 C GLN A 79 7.801 -2.767 3.081 1.00 0.00 C ATOM 1174 O GLN A 79 6.901 -2.893 2.252 1.00 0.00 O ATOM 1175 CB GLN A 79 9.771 -1.239 2.870 1.00 0.00 C ATOM 1176 CG GLN A 79 9.052 -0.192 2.035 1.00 0.00 C ATOM 1177 CD GLN A 79 9.863 1.078 1.867 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.977 1.189 2.378 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.306 2.045 1.147 1.00 0.00 N ATOM 0 H GLN A 79 8.636 -2.745 0.642 1.00 0.00 H new ATOM 0 HA GLN A 79 9.849 -3.353 3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.663 -0.987 3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.836 -1.205 2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.827 -0.608 1.053 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.098 0.050 2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.380 1.910 0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.804 2.923 0.999 1.00 0.00 H new ATOM 1188 N ASN A 80 7.577 -2.714 4.390 1.00 0.00 N ATOM 1189 CA ASN A 80 6.229 -2.804 4.939 1.00 0.00 C ATOM 1190 C ASN A 80 5.580 -1.425 5.016 1.00 0.00 C ATOM 1191 O ASN A 80 4.397 -1.300 5.336 1.00 0.00 O ATOM 1192 CB ASN A 80 6.264 -3.442 6.329 1.00 0.00 C ATOM 1193 CG ASN A 80 6.454 -4.945 6.271 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.404 -5.439 5.664 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.547 -5.681 6.903 1.00 0.00 N ATOM 0 H ASN A 80 8.311 -2.609 5.090 1.00 0.00 H new ATOM 0 HA ASN A 80 5.633 -3.430 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.073 -2.998 6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.335 -3.216 6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.622 -6.698 6.898 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.775 -5.229 7.394 1.00 0.00 H new ATOM 1202 N HIS A 81 6.362 -0.391 4.720 1.00 0.00 N ATOM 1203 CA HIS A 81 5.864 0.979 4.755 1.00 0.00 C ATOM 1204 C HIS A 81 6.664 1.872 3.811 1.00 0.00 C ATOM 1205 O HIS A 81 7.895 1.840 3.805 1.00 0.00 O ATOM 1206 CB HIS A 81 5.930 1.533 6.178 1.00 0.00 C ATOM 1207 CG HIS A 81 7.197 1.185 6.898 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.237 0.334 7.982 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.474 1.577 6.682 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.484 0.219 8.403 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.254 0.964 7.630 1.00 0.00 N ATOM 0 H HIS A 81 7.343 -0.476 4.453 1.00 0.00 H new ATOM 0 HA HIS A 81 4.825 0.970 4.425 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.828 2.618 6.142 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.082 1.152 6.747 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.816 2.248 5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.817 -0.381 9.237 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.265 1.067 7.723 1.00 0.00 H new ATOM 1220 N TYR A 82 5.957 2.666 3.015 1.00 0.00 N ATOM 1221 CA TYR A 82 6.601 3.566 2.065 1.00 0.00 C ATOM 1222 C TYR A 82 6.178 5.011 2.310 1.00 0.00 C ATOM 1223 O TYR A 82 4.988 5.313 2.412 1.00 0.00 O ATOM 1224 CB TYR A 82 6.259 3.157 0.631 1.00 0.00 C ATOM 1225 CG TYR A 82 6.960 3.989 -0.419 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.617 5.321 -0.621 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.964 3.444 -1.209 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.254 6.084 -1.580 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.607 4.201 -2.169 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.249 5.520 -2.351 1.00 0.00 C ATOM 1231 OH TYR A 82 8.886 6.277 -3.308 1.00 0.00 O ATOM 0 H TYR A 82 4.938 2.705 3.008 1.00 0.00 H new ATOM 0 HA TYR A 82 7.679 3.494 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.523 2.109 0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.182 3.237 0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.840 5.767 -0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.247 2.411 -1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.974 7.117 -1.725 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.386 3.762 -2.774 1.00 0.00 H new ATOM 0 HH TYR A 82 9.561 5.730 -3.762 1.00 0.00 H new ATOM 1241 N THR A 83 7.160 5.901 2.401 1.00 0.00 N ATOM 1242 CA THR A 83 6.891 7.315 2.633 1.00 0.00 C ATOM 1243 C THR A 83 6.775 8.076 1.318 1.00 0.00 C ATOM 1244 O THR A 83 7.774 8.323 0.641 1.00 0.00 O ATOM 1245 CB THR A 83 7.994 7.962 3.493 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.198 7.198 4.686 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.626 9.393 3.857 1.00 0.00 C ATOM 0 H THR A 83 8.150 5.668 2.318 1.00 0.00 H new ATOM 0 HA THR A 83 5.943 7.373 3.167 1.00 0.00 H new ATOM 0 HB THR A 83 8.916 7.977 2.911 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.491 7.406 5.332 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.419 9.829 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.501 9.979 2.947 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.693 9.397 4.421 1.00 0.00 H new ATOM 1255 N VAL A 84 5.550 8.447 0.960 1.00 0.00 N ATOM 1256 CA VAL A 84 5.303 9.183 -0.274 1.00 0.00 C ATOM 1257 C VAL A 84 5.663 10.656 -0.117 1.00 0.00 C ATOM 1258 O VAL A 84 5.160 11.337 0.777 1.00 0.00 O ATOM 1259 CB VAL A 84 3.831 9.068 -0.711 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.615 9.762 -2.047 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.409 7.609 -0.785 1.00 0.00 C ATOM 0 H VAL A 84 4.712 8.250 1.508 1.00 0.00 H new ATOM 0 HA VAL A 84 5.937 8.738 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 84 3.210 9.564 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.569 9.670 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.875 10.817 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.246 9.297 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.366 7.547 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.034 7.086 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.524 7.147 0.195 1.00 0.00 H new ATOM 1271 N HIS A 85 6.536 11.143 -0.993 1.00 0.00 N ATOM 1272 CA HIS A 85 6.962 12.537 -0.953 1.00 0.00 C ATOM 1273 C HIS A 85 6.314 13.336 -2.079 1.00 0.00 C ATOM 1274 O HIS A 85 6.021 12.798 -3.146 1.00 0.00 O ATOM 1275 CB HIS A 85 8.485 12.630 -1.057 1.00 0.00 C ATOM 1276 CG HIS A 85 9.192 12.329 0.229 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.097 13.193 0.810 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.122 11.254 1.047 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.554 12.661 1.929 1.00 0.00 C ATOM 1280 NE2 HIS A 85 9.978 11.484 2.096 1.00 0.00 N ATOM 0 H HIS A 85 6.962 10.593 -1.739 1.00 0.00 H new ATOM 0 HA HIS A 85 6.644 12.961 -0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.832 11.937 -1.824 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.758 13.633 -1.386 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.507 10.378 0.902 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.276 13.111 2.594 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.142 10.849 2.877 1.00 0.00 H new ATOM 1289 N GLY A 86 6.093 14.624 -1.834 1.00 0.00 N ATOM 1290 CA GLY A 86 5.480 15.476 -2.837 1.00 0.00 C ATOM 1291 C GLY A 86 3.971 15.527 -2.710 1.00 0.00 C ATOM 1292 O GLY A 86 3.253 15.450 -3.708 1.00 0.00 O ATOM 0 H GLY A 86 6.327 15.093 -0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.883 16.485 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.746 15.113 -3.830 1.00 0.00 H new ATOM 1296 N LEU A 87 3.486 15.656 -1.480 1.00 0.00 N ATOM 1297 CA LEU A 87 2.051 15.715 -1.225 1.00 0.00 C ATOM 1298 C LEU A 87 1.620 17.132 -0.862 1.00 0.00 C ATOM 1299 O LEU A 87 2.457 18.010 -0.651 1.00 0.00 O ATOM 1300 CB LEU A 87 1.672 14.750 -0.100 1.00 0.00 C ATOM 1301 CG LEU A 87 2.044 13.283 -0.320 1.00 0.00 C ATOM 1302 CD1 LEU A 87 2.059 12.532 1.002 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.077 12.629 -1.296 1.00 0.00 C ATOM 0 H LEU A 87 4.066 15.722 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 87 1.533 15.420 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.148 15.091 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.595 14.811 0.057 1.00 0.00 H new ATOM 0 HG LEU A 87 3.045 13.242 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.326 11.490 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.791 12.986 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.071 12.581 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.357 11.585 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.065 12.681 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.116 13.151 -2.252 1.00 0.00 H new ATOM 1315 N GLN A 88 0.311 17.347 -0.788 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.230 18.658 -0.448 1.00 0.00 C ATOM 1317 C GLN A 88 -0.590 18.731 1.032 1.00 0.00 C ATOM 1318 O GLN A 88 -1.160 17.793 1.590 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.463 18.961 -1.301 1.00 0.00 C ATOM 1320 CG GLN A 88 -1.185 18.961 -2.795 1.00 0.00 C ATOM 1321 CD GLN A 88 0.018 19.806 -3.164 1.00 0.00 C ATOM 1322 OE1 GLN A 88 0.305 20.815 -2.518 1.00 0.00 O ATOM 1323 NE2 GLN A 88 0.730 19.399 -4.209 1.00 0.00 N ATOM 0 H GLN A 88 -0.395 16.631 -0.959 1.00 0.00 H new ATOM 0 HA GLN A 88 0.537 19.404 -0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.235 18.223 -1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.862 19.934 -1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.022 17.937 -3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.062 19.334 -3.324 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.457 18.557 -4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.550 19.928 -4.505 1.00 0.00 H new ATOM 1332 N SER A 89 -0.254 19.851 1.664 1.00 0.00 N ATOM 1333 CA SER A 89 -0.538 20.045 3.081 1.00 0.00 C ATOM 1334 C SER A 89 -2.039 20.184 3.320 1.00 0.00 C ATOM 1335 O SER A 89 -2.772 20.680 2.465 1.00 0.00 O ATOM 1336 CB SER A 89 0.190 21.285 3.604 1.00 0.00 C ATOM 1337 OG SER A 89 -0.175 22.439 2.867 1.00 0.00 O ATOM 0 H SER A 89 0.216 20.638 1.217 1.00 0.00 H new ATOM 0 HA SER A 89 -0.181 19.168 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.047 21.432 4.658 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.267 21.133 3.538 1.00 0.00 H new ATOM 0 HG SER A 89 0.302 23.218 3.222 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.489 19.741 4.490 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.899 19.824 4.822 1.00 0.00 C ATOM 1345 C GLY A 90 -4.791 19.371 3.682 1.00 0.00 C ATOM 1346 O GLY A 90 -5.713 20.083 3.283 1.00 0.00 O ATOM 0 H GLY A 90 -1.902 19.326 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.099 19.211 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.147 20.852 5.087 1.00 0.00 H new ATOM 1350 N THR A 91 -4.516 18.181 3.155 1.00 0.00 N ATOM 1351 CA THR A 91 -5.297 17.635 2.053 1.00 0.00 C ATOM 1352 C THR A 91 -5.495 16.132 2.211 1.00 0.00 C ATOM 1353 O THR A 91 -4.620 15.432 2.721 1.00 0.00 O ATOM 1354 CB THR A 91 -4.625 17.913 0.695 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.452 19.323 0.514 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.457 17.348 -0.446 1.00 0.00 C ATOM 0 H THR A 91 -3.758 17.578 3.474 1.00 0.00 H new ATOM 0 HA THR A 91 -6.267 18.131 2.078 1.00 0.00 H new ATOM 0 HB THR A 91 -3.651 17.424 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.836 19.667 1.194 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.963 17.557 -1.395 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.562 16.270 -0.321 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.443 17.812 -0.441 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.648 15.641 1.770 1.00 0.00 N ATOM 1365 CA ARG A 92 -6.960 14.220 1.864 1.00 0.00 C ATOM 1366 C ARG A 92 -6.144 13.417 0.855 1.00 0.00 C ATOM 1367 O ARG A 92 -5.827 13.904 -0.231 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.454 13.987 1.628 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.322 14.355 2.820 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.569 13.488 2.889 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.676 14.172 3.551 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.508 14.998 2.927 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -12.360 15.241 1.632 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.492 15.584 3.598 1.00 0.00 N ATOM 0 H ARG A 92 -7.382 16.206 1.344 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.701 13.882 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.772 14.570 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.615 12.938 1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.747 14.241 3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.610 15.404 2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.869 13.205 1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.340 12.566 3.424 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.818 14.006 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.605 14.793 1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.001 15.876 1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.610 15.400 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.130 16.218 3.117 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.807 12.186 1.221 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.025 11.316 0.350 1.00 0.00 C ATOM 1390 C TYR A 93 -5.399 9.852 0.564 1.00 0.00 C ATOM 1391 O TYR A 93 -5.254 9.317 1.663 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.530 11.515 0.604 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.906 12.587 -0.260 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.449 12.297 -1.540 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.774 13.890 0.203 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -1.877 13.273 -2.332 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.205 14.873 -0.583 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.758 14.560 -1.850 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.190 15.535 -2.637 1.00 0.00 O ATOM 0 H TYR A 93 -6.063 11.767 2.115 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.249 11.582 -0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.379 11.772 1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.012 10.572 0.429 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.543 11.291 -1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.122 14.139 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.525 13.030 -3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.111 15.881 -0.208 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.717 15.116 -3.386 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.881 9.211 -0.496 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.274 7.809 -0.425 1.00 0.00 C ATOM 1411 C ILE A 94 -5.101 6.892 -0.758 1.00 0.00 C ATOM 1412 O ILE A 94 -4.293 7.194 -1.636 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.439 7.502 -1.385 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.725 8.166 -0.888 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.630 5.999 -1.522 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.922 7.902 -1.775 1.00 0.00 C ATOM 0 H ILE A 94 -6.009 9.640 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.599 7.623 0.599 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.199 7.908 -2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.943 7.809 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.565 9.242 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.457 5.798 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.718 5.551 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.853 5.570 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.798 8.403 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.724 8.284 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.108 6.829 -1.826 1.00 0.00 H new ATOM 1428 N PHE A 95 -5.016 5.770 -0.051 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.943 4.807 -0.271 1.00 0.00 C ATOM 1430 C PHE A 95 -4.505 3.402 -0.466 1.00 0.00 C ATOM 1431 O PHE A 95 -5.386 2.966 0.275 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.968 4.820 0.908 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.166 6.087 1.008 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -0.989 6.236 0.292 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -2.589 7.127 1.819 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -0.250 7.400 0.384 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -1.854 8.294 1.914 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.683 8.430 1.195 1.00 0.00 C ATOM 0 H PHE A 95 -5.677 5.505 0.679 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.410 5.095 -1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.527 4.679 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.287 3.974 0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.646 5.434 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.504 7.025 2.384 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.666 7.504 -0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.195 9.098 2.549 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.107 9.341 1.267 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.988 2.698 -1.467 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.437 1.343 -1.759 1.00 0.00 C ATOM 1450 C ILE A 96 -3.267 0.451 -2.161 1.00 0.00 C ATOM 1451 O ILE A 96 -2.738 0.562 -3.267 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.488 1.328 -2.884 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.769 2.026 -2.424 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.783 -0.101 -3.315 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.532 2.693 -3.547 1.00 0.00 C ATOM 0 H ILE A 96 -3.258 3.044 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.889 0.957 -0.845 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.088 1.870 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.417 1.296 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.515 2.775 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.528 -0.095 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.868 -0.568 -3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -6.165 -0.666 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.428 3.167 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.901 3.448 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.817 1.946 -4.287 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.868 -0.436 -1.254 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.762 -1.350 -1.514 1.00 0.00 C ATOM 1469 C VAL A 97 -2.232 -2.575 -2.290 1.00 0.00 C ATOM 1470 O VAL A 97 -3.274 -3.156 -1.984 1.00 0.00 O ATOM 1471 CB VAL A 97 -1.094 -1.811 -0.205 1.00 0.00 C ATOM 1472 CG1 VAL A 97 -0.078 -2.908 -0.480 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.441 -0.633 0.502 1.00 0.00 C ATOM 0 H VAL A 97 -3.294 -0.541 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.033 -0.802 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.863 -2.219 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.383 -3.220 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.578 -3.760 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.691 -2.531 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.026 -0.976 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.317 -0.194 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.198 0.116 0.735 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.457 -2.965 -3.297 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.793 -4.123 -4.117 1.00 0.00 C ATOM 1485 C LYS A 98 -0.612 -5.085 -4.208 1.00 0.00 C ATOM 1486 O LYS A 98 0.403 -4.779 -4.833 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.210 -3.676 -5.520 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.457 -4.829 -6.477 1.00 0.00 C ATOM 1489 CD LYS A 98 -2.920 -4.335 -7.838 1.00 0.00 C ATOM 1490 CE LYS A 98 -1.763 -3.775 -8.650 1.00 0.00 C ATOM 1491 NZ LYS A 98 -1.068 -4.836 -9.431 1.00 0.00 N ATOM 0 H LYS A 98 -0.592 -2.496 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.627 -4.642 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.117 -3.075 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.434 -3.032 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.542 -5.410 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.208 -5.497 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.386 -5.155 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.681 -3.565 -7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.134 -3.008 -9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.051 -3.291 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.182 -4.456 -9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.856 -5.642 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.681 -5.152 -10.210 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.753 -6.249 -3.583 1.00 0.00 N ATOM 1506 CA ALA A 99 0.300 -7.256 -3.597 1.00 0.00 C ATOM 1507 C ALA A 99 0.346 -7.983 -4.936 1.00 0.00 C ATOM 1508 O ALA A 99 -0.691 -8.358 -5.486 1.00 0.00 O ATOM 1509 CB ALA A 99 0.096 -8.249 -2.462 1.00 0.00 C ATOM 0 H ALA A 99 -1.587 -6.518 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 99 1.255 -6.750 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.890 -8.996 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.121 -7.722 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.869 -8.742 -2.579 1.00 0.00 H new ATOM 1515 N ILE A 100 1.552 -8.179 -5.457 1.00 0.00 N ATOM 1516 CA ILE A 100 1.732 -8.861 -6.732 1.00 0.00 C ATOM 1517 C ILE A 100 2.671 -10.055 -6.589 1.00 0.00 C ATOM 1518 O ILE A 100 3.750 -9.942 -6.011 1.00 0.00 O ATOM 1519 CB ILE A 100 2.290 -7.909 -7.807 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.352 -6.716 -7.999 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.489 -8.651 -9.120 1.00 0.00 C ATOM 1522 CD1 ILE A 100 2.063 -5.450 -8.422 1.00 0.00 C ATOM 0 H ILE A 100 2.420 -7.875 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 100 0.748 -9.211 -7.044 1.00 0.00 H new ATOM 0 HB ILE A 100 3.258 -7.535 -7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.603 -6.970 -8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.819 -6.530 -7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.884 -7.965 -9.869 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.192 -9.470 -8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.534 -9.050 -9.461 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.336 -4.646 -8.539 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.793 -5.171 -7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.573 -5.619 -9.370 1.00 0.00 H new ATOM 1534 N ASN A 101 2.251 -11.198 -7.123 1.00 0.00 N ATOM 1535 CA ASN A 101 3.055 -12.413 -7.056 1.00 0.00 C ATOM 1536 C ASN A 101 3.003 -13.173 -8.378 1.00 0.00 C ATOM 1537 O ASN A 101 2.418 -12.702 -9.353 1.00 0.00 O ATOM 1538 CB ASN A 101 2.566 -13.311 -5.919 1.00 0.00 C ATOM 1539 CG ASN A 101 1.148 -13.803 -6.140 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.364 -13.172 -6.848 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.814 -14.935 -5.532 1.00 0.00 N ATOM 0 H ASN A 101 1.360 -11.308 -7.606 1.00 0.00 H new ATOM 0 HA ASN A 101 4.088 -12.125 -6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.234 -14.167 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.615 -12.761 -4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.126 -15.315 -5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.497 -15.424 -4.954 1.00 0.00 H new ATOM 1548 N GLN A 102 3.619 -14.350 -8.402 1.00 0.00 N ATOM 1549 CA GLN A 102 3.642 -15.175 -9.604 1.00 0.00 C ATOM 1550 C GLN A 102 2.227 -15.538 -10.043 1.00 0.00 C ATOM 1551 O GLN A 102 1.946 -15.647 -11.236 1.00 0.00 O ATOM 1552 CB GLN A 102 4.455 -16.448 -9.359 1.00 0.00 C ATOM 1553 CG GLN A 102 3.997 -17.238 -8.143 1.00 0.00 C ATOM 1554 CD GLN A 102 2.983 -18.309 -8.491 1.00 0.00 C ATOM 1555 OE1 GLN A 102 2.033 -18.063 -9.235 1.00 0.00 O ATOM 1556 NE2 GLN A 102 3.179 -19.508 -7.955 1.00 0.00 N ATOM 0 H GLN A 102 4.109 -14.754 -7.603 1.00 0.00 H new ATOM 0 HA GLN A 102 4.113 -14.599 -10.400 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.391 -17.085 -10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.504 -16.181 -9.234 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.862 -17.702 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.562 -16.555 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.980 -19.669 -7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.529 -20.268 -8.155 1.00 0.00 H new ATOM 1565 N ALA A 103 1.341 -15.724 -9.071 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.045 -16.073 -9.357 1.00 0.00 C ATOM 1567 C ALA A 103 -0.792 -14.894 -9.973 1.00 0.00 C ATOM 1568 O ALA A 103 -1.361 -15.006 -11.058 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.745 -16.539 -8.089 1.00 0.00 C ATOM 0 H ALA A 103 1.558 -15.639 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.046 -16.889 -10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.779 -16.796 -8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.233 -17.415 -7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.725 -15.740 -7.348 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.786 -13.764 -9.272 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.468 -12.582 -9.765 1.00 0.00 C ATOM 1577 C GLY A 104 -1.317 -11.395 -8.835 1.00 0.00 C ATOM 1578 O GLY A 104 -0.216 -11.098 -8.369 1.00 0.00 O ATOM 0 H GLY A 104 -0.321 -13.646 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.074 -12.322 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.527 -12.805 -9.895 1.00 0.00 H new ATOM 1582 N SER A 105 -2.425 -10.713 -8.563 1.00 0.00 N ATOM 1583 CA SER A 105 -2.410 -9.548 -7.686 1.00 0.00 C ATOM 1584 C SER A 105 -3.735 -9.412 -6.942 1.00 0.00 C ATOM 1585 O SER A 105 -4.740 -10.010 -7.326 1.00 0.00 O ATOM 1586 CB SER A 105 -2.133 -8.279 -8.494 1.00 0.00 C ATOM 1587 OG SER A 105 -3.288 -7.863 -9.203 1.00 0.00 O ATOM 0 H SER A 105 -3.344 -10.947 -8.937 1.00 0.00 H new ATOM 0 HA SER A 105 -1.614 -9.685 -6.954 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.806 -7.483 -7.825 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.318 -8.461 -9.195 1.00 0.00 H new ATOM 0 HG SER A 105 -3.085 -7.049 -9.710 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.727 -8.620 -5.874 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.927 -8.406 -5.074 1.00 0.00 C ATOM 1595 C ARG A 106 -4.964 -6.985 -4.519 1.00 0.00 C ATOM 1596 O ARG A 106 -4.139 -6.612 -3.686 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.987 -9.415 -3.925 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.215 -9.261 -3.043 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.431 -9.936 -3.658 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.682 -9.356 -3.176 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.839 -10.009 -3.166 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.903 -11.256 -3.610 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.934 -9.413 -2.712 1.00 0.00 N ATOM 0 H ARG A 106 -2.904 -8.117 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.794 -8.549 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.970 -10.424 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.093 -9.307 -3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.016 -9.692 -2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.424 -8.202 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.385 -9.847 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.411 -11.001 -3.424 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.666 -8.397 -2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.063 -11.716 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.792 -11.755 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.888 -8.453 -2.370 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.822 -9.915 -2.705 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.925 -6.196 -4.989 1.00 0.00 N ATOM 1618 CA ASN A 107 -6.068 -4.816 -4.541 1.00 0.00 C ATOM 1619 C ASN A 107 -6.802 -4.751 -3.205 1.00 0.00 C ATOM 1620 O ASN A 107 -7.830 -5.402 -3.017 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.820 -3.993 -5.589 1.00 0.00 C ATOM 1622 CG ASN A 107 -5.891 -3.379 -6.619 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -5.864 -3.799 -7.776 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -5.123 -2.380 -6.201 1.00 0.00 N ATOM 0 H ASN A 107 -6.616 -6.489 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.070 -4.398 -4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.547 -4.629 -6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.380 -3.201 -5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -4.477 -1.928 -6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.179 -2.065 -5.233 1.00 0.00 H new ATOM 1631 N SER A 108 -6.267 -3.960 -2.280 1.00 0.00 N ATOM 1632 CA SER A 108 -6.868 -3.812 -0.960 1.00 0.00 C ATOM 1633 C SER A 108 -7.888 -2.677 -0.952 1.00 0.00 C ATOM 1634 O SER A 108 -8.084 -1.999 -1.959 1.00 0.00 O ATOM 1635 CB SER A 108 -5.787 -3.550 0.090 1.00 0.00 C ATOM 1636 OG SER A 108 -5.245 -2.248 -0.051 1.00 0.00 O ATOM 0 H SER A 108 -5.418 -3.412 -2.421 1.00 0.00 H new ATOM 0 HA SER A 108 -7.383 -4.741 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.209 -3.666 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.993 -4.291 -0.008 1.00 0.00 H new ATOM 0 HG SER A 108 -4.506 -2.269 -0.694 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.533 -2.478 0.193 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.533 -1.426 0.332 1.00 0.00 C ATOM 1644 C GLU A 109 -8.870 -0.055 0.430 1.00 0.00 C ATOM 1645 O GLU A 109 -7.742 0.085 0.902 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.399 -1.676 1.569 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.276 -2.912 1.459 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.110 -3.148 2.703 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -11.520 -3.286 3.795 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.352 -3.195 2.585 1.00 0.00 O ATOM 0 H GLU A 109 -8.381 -3.031 1.037 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.166 -1.441 -0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.752 -1.776 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.032 -0.806 1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.936 -2.809 0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.648 -3.784 1.277 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.588 0.982 -0.027 1.00 0.00 N ATOM 1658 CA PRO A 110 -9.090 2.361 -0.002 1.00 0.00 C ATOM 1659 C PRO A 110 -9.001 2.920 1.414 1.00 0.00 C ATOM 1660 O PRO A 110 -9.930 2.776 2.209 1.00 0.00 O ATOM 1661 CB PRO A 110 -10.134 3.130 -0.816 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.381 2.324 -0.689 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.940 0.889 -0.602 1.00 0.00 C ATOM 0 HA PRO A 110 -8.078 2.436 -0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.274 4.139 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.830 3.228 -1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.944 2.614 0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -12.035 2.480 -1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.606 0.302 0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.928 0.412 -1.582 1.00 0.00 H new ATOM 1671 N THR A 111 -7.877 3.559 1.724 1.00 0.00 N ATOM 1672 CA THR A 111 -7.667 4.139 3.044 1.00 0.00 C ATOM 1673 C THR A 111 -7.435 5.643 2.953 1.00 0.00 C ATOM 1674 O THR A 111 -6.337 6.093 2.625 1.00 0.00 O ATOM 1675 CB THR A 111 -6.467 3.488 3.759 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.661 2.073 3.853 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.284 4.074 5.151 1.00 0.00 C ATOM 0 H THR A 111 -7.098 3.688 1.078 1.00 0.00 H new ATOM 0 HA THR A 111 -8.572 3.948 3.621 1.00 0.00 H new ATOM 0 HB THR A 111 -5.570 3.693 3.175 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.665 1.805 4.796 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.431 3.599 5.636 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.107 5.147 5.074 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.183 3.896 5.742 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.475 6.416 3.247 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.385 7.870 3.198 1.00 0.00 C ATOM 1687 C ARG A 112 -7.574 8.404 4.375 1.00 0.00 C ATOM 1688 O ARG A 112 -7.845 8.074 5.530 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.783 8.490 3.205 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.369 8.687 1.817 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.709 9.405 1.874 1.00 0.00 C ATOM 1692 NE ARG A 112 -11.718 10.467 2.876 1.00 0.00 N ATOM 1693 CZ ARG A 112 -11.996 10.265 4.159 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -12.286 9.046 4.594 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -11.984 11.282 5.011 1.00 0.00 N ATOM 0 H ARG A 112 -9.390 6.059 3.522 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.878 8.146 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.451 7.853 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.741 9.454 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -9.673 9.261 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -10.494 7.718 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.936 9.828 0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.496 8.686 2.101 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.499 11.416 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.296 8.261 3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -12.499 8.894 5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.761 12.221 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -12.198 11.125 5.996 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.578 9.230 4.074 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.727 9.811 5.107 1.00 0.00 C ATOM 1711 C LEU A 113 -5.651 11.327 4.961 1.00 0.00 C ATOM 1712 O LEU A 113 -5.756 11.862 3.858 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.322 9.209 5.035 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.233 7.691 5.196 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.796 7.220 5.034 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.787 7.265 6.548 1.00 0.00 C ATOM 0 H LEU A 113 -6.340 9.513 3.123 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.166 9.580 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.882 9.479 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.710 9.673 5.808 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.836 7.226 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.753 6.137 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.434 7.492 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.171 7.693 5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.716 6.182 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.212 7.739 7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.831 7.568 6.625 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.465 12.015 6.083 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.371 13.470 6.082 1.00 0.00 C ATOM 1730 C LYS A 114 -4.001 13.927 6.571 1.00 0.00 C ATOM 1731 O LYS A 114 -3.507 13.458 7.597 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.466 14.073 6.964 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.790 14.266 6.244 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.728 15.164 7.032 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.355 16.631 6.880 1.00 0.00 C ATOM 1736 NZ LYS A 114 -9.216 17.512 7.716 1.00 0.00 N ATOM 0 H LYS A 114 -5.376 11.588 7.005 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.506 13.817 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.622 13.426 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.125 15.036 7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.610 14.700 5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.262 13.297 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.752 15.011 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.698 14.887 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.311 16.771 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.445 16.922 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.930 18.503 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.210 17.398 7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.111 17.251 8.717 1.00 0.00 H new ATOM 1750 N THR A 115 -3.389 14.847 5.831 1.00 0.00 N ATOM 1751 CA THR A 115 -2.076 15.368 6.190 1.00 0.00 C ATOM 1752 C THR A 115 -2.189 16.473 7.233 1.00 0.00 C ATOM 1753 O THR A 115 -3.265 17.030 7.447 1.00 0.00 O ATOM 1754 CB THR A 115 -1.333 15.916 4.957 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.199 16.771 4.203 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.839 14.779 4.074 1.00 0.00 C ATOM 0 H THR A 115 -3.782 15.247 4.979 1.00 0.00 H new ATOM 0 HA THR A 115 -1.509 14.536 6.607 1.00 0.00 H new ATOM 0 HB THR A 115 -0.471 16.487 5.303 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.752 17.041 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.317 15.190 3.210 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.157 14.147 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.688 14.185 3.737 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.072 16.786 7.881 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.046 17.827 8.903 1.00 0.00 C ATOM 1766 C ASN A 116 -1.162 19.211 8.273 1.00 0.00 C ATOM 1767 O ASN A 116 -0.560 19.485 7.235 1.00 0.00 O ATOM 1768 CB ASN A 116 0.243 17.733 9.722 1.00 0.00 C ATOM 1769 CG ASN A 116 0.516 16.324 10.212 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -0.296 15.420 10.019 1.00 0.00 O ATOM 1771 ND2 ASN A 116 1.664 16.132 10.850 1.00 0.00 N ATOM 0 H ASN A 116 -0.173 16.334 7.717 1.00 0.00 H new ATOM 0 HA ASN A 116 -1.900 17.676 9.563 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.082 18.072 9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.177 18.406 10.577 1.00 0.00 H new ATOM 0 HD21 ASN A 116 1.903 15.205 11.203 1.00 0.00 H new ATOM 0 HD22 ASN A 116 2.308 16.911 10.987 1.00 0.00 H new