USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 740 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 82 THR OG1 : rot 94:sc= 1.06 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.00691 USER MOD Set 2.1: A 67 HIS :FLIP no HE2:sc= -0.559 F(o=-3.6,f=-0.56) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.919 F(o=-1.7!,f=-0.92) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -1.35 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= -0.274 (180deg=-0.284) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 39 GLN : amide:sc= -0.0911 K(o=-0.091,f=-1.7!) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= 0.348 (180deg=0.195) USER MOD Single : A 45 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.021) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 51 TYR OH : rot 165:sc= -1.01 USER MOD Single : A 54 SER OG : rot 130:sc= -0.09 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.011 X(o=-0.011,f=0.0077) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.22) USER MOD Single : A 63 THR OG1 : rot -72:sc= -0.887 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.578 K(o=-0.58,f=-3.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 81:sc= 0.257 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -140:sc= -4.54! (180deg=-5.19!) USER MOD Single : A 95 THR OG1 : rot 140:sc= -0.936 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -3.94! C(o=-5.3!,f=-3.9!) USER MOD Single : A 101 GLN : amide:sc=-0.00545 X(o=-0.0054,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -150:sc= -0.453 USER MOD Single : A 106 THR OG1 : rot 104:sc= 0.0504 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -135:sc= -0.777! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.709 -0.608 -13.163 1.00 0.00 N ATOM 203 CA ASP A 16 17.459 0.160 -12.183 1.00 0.00 C ATOM 204 C ASP A 16 16.663 0.230 -10.879 1.00 0.00 C ATOM 205 O ASP A 16 17.149 -0.185 -9.828 1.00 0.00 O ATOM 206 CB ASP A 16 17.696 1.591 -12.670 1.00 0.00 C ATOM 207 CG ASP A 16 18.698 2.398 -11.841 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.808 2.097 -10.633 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.331 3.297 -12.435 1.00 0.00 O ATOM 0 HA ASP A 16 18.419 -0.333 -12.031 1.00 0.00 H new ATOM 0 HB2 ASP A 16 18.046 1.555 -13.701 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.743 2.120 -12.676 1.00 0.00 H new ATOM 214 N VAL A 17 15.452 0.757 -10.989 1.00 0.00 N ATOM 215 CA VAL A 17 14.584 0.886 -9.831 1.00 0.00 C ATOM 216 C VAL A 17 14.649 -0.400 -9.004 1.00 0.00 C ATOM 217 O VAL A 17 15.121 -1.429 -9.486 1.00 0.00 O ATOM 218 CB VAL A 17 13.164 1.238 -10.278 1.00 0.00 C ATOM 219 CG1 VAL A 17 13.021 2.742 -10.515 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.771 0.446 -11.527 1.00 0.00 C ATOM 0 H VAL A 17 15.052 1.100 -11.862 1.00 0.00 H new ATOM 0 HA VAL A 17 14.920 1.701 -9.191 1.00 0.00 H new ATOM 0 HB VAL A 17 12.481 0.959 -9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.002 2.965 -10.832 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.239 3.278 -9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.719 3.056 -11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.757 0.715 -11.824 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.461 0.680 -12.338 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.815 -0.621 -11.310 1.00 0.00 H new ATOM 230 N PRO A 18 14.156 -0.297 -7.741 1.00 0.00 N ATOM 231 CA PRO A 18 14.153 -1.439 -6.843 1.00 0.00 C ATOM 232 C PRO A 18 13.058 -2.436 -7.227 1.00 0.00 C ATOM 233 O PRO A 18 12.315 -2.211 -8.181 1.00 0.00 O ATOM 234 CB PRO A 18 13.960 -0.849 -5.456 1.00 0.00 C ATOM 235 CG PRO A 18 13.398 0.547 -5.672 1.00 0.00 C ATOM 236 CD PRO A 18 13.589 0.905 -7.137 1.00 0.00 C ATOM 0 HA PRO A 18 15.078 -2.014 -6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.277 -1.458 -4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.904 -0.810 -4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.341 0.578 -5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.909 1.267 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.642 1.175 -7.605 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.257 1.759 -7.252 1.00 0.00 H new ATOM 244 N GLY A 19 12.992 -3.517 -6.463 1.00 0.00 N ATOM 245 CA GLY A 19 11.999 -4.549 -6.711 1.00 0.00 C ATOM 246 C GLY A 19 10.799 -4.392 -5.775 1.00 0.00 C ATOM 247 O GLY A 19 10.500 -3.287 -5.324 1.00 0.00 O ATOM 0 H GLY A 19 13.610 -3.700 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.666 -4.496 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.448 -5.532 -6.570 1.00 0.00 H new ATOM 251 N PRO A 20 10.126 -5.542 -5.505 1.00 0.00 N ATOM 252 CA PRO A 20 8.966 -5.543 -4.631 1.00 0.00 C ATOM 253 C PRO A 20 9.382 -5.401 -3.165 1.00 0.00 C ATOM 254 O PRO A 20 10.249 -6.133 -2.689 1.00 0.00 O ATOM 255 CB PRO A 20 8.255 -6.854 -4.922 1.00 0.00 C ATOM 256 CG PRO A 20 9.283 -7.744 -5.601 1.00 0.00 C ATOM 257 CD PRO A 20 10.452 -6.868 -6.022 1.00 0.00 C ATOM 0 HA PRO A 20 8.303 -4.697 -4.812 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.888 -7.312 -4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.390 -6.695 -5.566 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.618 -8.527 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.846 -8.240 -6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.391 -7.235 -5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.566 -6.854 -7.106 1.00 0.00 H new ATOM 265 N VAL A 21 8.745 -4.455 -2.491 1.00 0.00 N ATOM 266 CA VAL A 21 9.039 -4.208 -1.090 1.00 0.00 C ATOM 267 C VAL A 21 8.874 -5.509 -0.302 1.00 0.00 C ATOM 268 O VAL A 21 8.686 -6.574 -0.888 1.00 0.00 O ATOM 269 CB VAL A 21 8.158 -3.074 -0.562 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.592 -1.727 -1.142 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.681 -3.346 -0.855 1.00 0.00 C ATOM 0 H VAL A 21 8.026 -3.850 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 21 10.072 -3.882 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 21 8.283 -3.029 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.949 -0.938 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.626 -1.526 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.510 -1.755 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.076 -2.525 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.533 -3.431 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.380 -4.276 -0.373 1.00 0.00 H new ATOM 281 N GLY A 22 8.952 -5.380 1.015 1.00 0.00 N ATOM 282 CA GLY A 22 8.814 -6.533 1.889 1.00 0.00 C ATOM 283 C GLY A 22 7.472 -7.233 1.665 1.00 0.00 C ATOM 284 O GLY A 22 6.846 -7.064 0.619 1.00 0.00 O ATOM 0 H GLY A 22 9.109 -4.495 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.629 -7.233 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.894 -6.217 2.929 1.00 0.00 H new ATOM 288 N HIS A 23 7.069 -8.005 2.664 1.00 0.00 N ATOM 289 CA HIS A 23 5.814 -8.732 2.589 1.00 0.00 C ATOM 290 C HIS A 23 4.674 -7.839 3.083 1.00 0.00 C ATOM 291 O HIS A 23 4.674 -7.406 4.235 1.00 0.00 O ATOM 292 CB HIS A 23 5.905 -10.054 3.353 1.00 0.00 C ATOM 293 CG HIS A 23 5.409 -9.976 4.777 1.00 0.00 C ATOM 294 ND1 HIS A 23 5.835 -9.219 5.829 1.00 0.00 N flip ATOM 295 CD2 HIS A 23 4.353 -10.738 5.246 1.00 0.00 C flip ATOM 296 CE1 HIS A 23 5.080 -9.503 6.883 1.00 0.00 C flip ATOM 297 NE2 HIS A 23 4.161 -10.445 6.524 1.00 0.00 N flip ATOM 0 H HIS A 23 7.590 -8.142 3.530 1.00 0.00 H new ATOM 0 HA HIS A 23 5.602 -8.993 1.552 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.329 -10.810 2.820 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.943 -10.388 3.358 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.782 -11.450 4.669 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.177 -9.061 7.864 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.451 -10.852 7.132 1.00 0.00 H new ATOM 305 N LEU A 24 3.729 -7.590 2.188 1.00 0.00 N ATOM 306 CA LEU A 24 2.586 -6.756 2.519 1.00 0.00 C ATOM 307 C LEU A 24 1.978 -7.233 3.839 1.00 0.00 C ATOM 308 O LEU A 24 1.781 -8.430 4.040 1.00 0.00 O ATOM 309 CB LEU A 24 1.590 -6.728 1.358 1.00 0.00 C ATOM 310 CG LEU A 24 1.531 -5.426 0.556 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.689 -4.374 1.280 1.00 0.00 C ATOM 312 CD2 LEU A 24 2.937 -4.915 0.237 1.00 0.00 C ATOM 0 H LEU A 24 3.732 -7.951 1.234 1.00 0.00 H new ATOM 0 HA LEU A 24 2.898 -5.722 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.835 -7.541 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.595 -6.933 1.754 1.00 0.00 H new ATOM 0 HG LEU A 24 1.040 -5.632 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.663 -3.459 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.326 -4.749 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.129 -4.164 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.867 -3.989 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.476 -4.729 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.472 -5.663 -0.349 1.00 0.00 H new ATOM 324 N SER A 25 1.697 -6.271 4.706 1.00 0.00 N ATOM 325 CA SER A 25 1.115 -6.577 6.002 1.00 0.00 C ATOM 326 C SER A 25 0.058 -5.531 6.361 1.00 0.00 C ATOM 327 O SER A 25 0.097 -4.407 5.863 1.00 0.00 O ATOM 328 CB SER A 25 2.191 -6.639 7.088 1.00 0.00 C ATOM 329 OG SER A 25 1.792 -7.449 8.190 1.00 0.00 O ATOM 0 H SER A 25 1.862 -5.279 4.536 1.00 0.00 H new ATOM 0 HA SER A 25 0.641 -7.557 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.113 -7.035 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.409 -5.631 7.440 1.00 0.00 H new ATOM 0 HG SER A 25 2.507 -7.464 8.860 1.00 0.00 H new ATOM 335 N PHE A 26 -0.862 -5.939 7.223 1.00 0.00 N ATOM 336 CA PHE A 26 -1.929 -5.051 7.654 1.00 0.00 C ATOM 337 C PHE A 26 -2.335 -5.345 9.100 1.00 0.00 C ATOM 338 O PHE A 26 -2.301 -6.494 9.537 1.00 0.00 O ATOM 339 CB PHE A 26 -3.126 -5.311 6.738 1.00 0.00 C ATOM 340 CG PHE A 26 -2.785 -5.285 5.246 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.390 -6.426 4.619 1.00 0.00 C ATOM 342 CD2 PHE A 26 -2.876 -4.122 4.548 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.073 -6.402 3.235 1.00 0.00 C ATOM 344 CE2 PHE A 26 -2.559 -4.098 3.164 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.164 -5.239 2.537 1.00 0.00 C ATOM 0 H PHE A 26 -0.891 -6.872 7.634 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.595 -4.015 7.601 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.556 -6.282 6.985 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.893 -4.563 6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.318 -7.350 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.189 -3.216 5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.760 -7.308 2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.631 -3.174 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.923 -5.221 1.484 1.00 0.00 H new ATOM 355 N SER A 27 -2.711 -4.286 9.802 1.00 0.00 N ATOM 356 CA SER A 27 -3.123 -4.416 11.189 1.00 0.00 C ATOM 357 C SER A 27 -4.115 -3.306 11.546 1.00 0.00 C ATOM 358 O SER A 27 -4.333 -2.387 10.759 1.00 0.00 O ATOM 359 CB SER A 27 -1.917 -4.372 12.129 1.00 0.00 C ATOM 360 OG SER A 27 -1.097 -3.230 11.893 1.00 0.00 O ATOM 0 H SER A 27 -2.739 -3.334 9.436 1.00 0.00 H new ATOM 0 HA SER A 27 -3.610 -5.384 11.312 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.263 -4.362 13.163 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.324 -5.277 12.000 1.00 0.00 H new ATOM 0 HG SER A 27 -0.339 -3.238 12.514 1.00 0.00 H new ATOM 366 N GLU A 28 -4.688 -3.429 12.734 1.00 0.00 N ATOM 367 CA GLU A 28 -5.651 -2.448 13.205 1.00 0.00 C ATOM 368 C GLU A 28 -6.670 -2.135 12.108 1.00 0.00 C ATOM 369 O GLU A 28 -6.907 -0.970 11.791 1.00 0.00 O ATOM 370 CB GLU A 28 -4.949 -1.175 13.681 1.00 0.00 C ATOM 371 CG GLU A 28 -4.379 -1.357 15.089 1.00 0.00 C ATOM 372 CD GLU A 28 -5.499 -1.544 16.115 1.00 0.00 C ATOM 373 OE1 GLU A 28 -6.032 -0.508 16.567 1.00 0.00 O ATOM 374 OE2 GLU A 28 -5.796 -2.718 16.423 1.00 0.00 O ATOM 0 H GLU A 28 -4.504 -4.193 13.384 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.183 -2.870 14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.146 -0.918 12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.653 -0.343 13.675 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.716 -2.222 15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.777 -0.488 15.357 1.00 0.00 H new ATOM 381 N ILE A 29 -7.244 -3.194 11.557 1.00 0.00 N ATOM 382 CA ILE A 29 -8.231 -3.047 10.502 1.00 0.00 C ATOM 383 C ILE A 29 -9.619 -2.885 11.126 1.00 0.00 C ATOM 384 O ILE A 29 -9.988 -3.634 12.029 1.00 0.00 O ATOM 385 CB ILE A 29 -8.135 -4.209 9.511 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.678 -4.489 9.135 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.006 -3.954 8.280 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.584 -5.135 7.751 1.00 0.00 C ATOM 0 H ILE A 29 -7.044 -4.158 11.822 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.035 -2.146 9.921 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.521 -5.105 9.997 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.111 -3.558 9.145 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.226 -5.146 9.878 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.919 -4.795 7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.046 -3.842 8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.675 -3.043 7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.538 -5.324 7.508 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.132 -6.077 7.751 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.014 -4.465 7.007 1.00 0.00 H new ATOM 400 N LEU A 30 -10.349 -1.903 10.620 1.00 0.00 N ATOM 401 CA LEU A 30 -11.688 -1.633 11.117 1.00 0.00 C ATOM 402 C LEU A 30 -12.710 -1.982 10.033 1.00 0.00 C ATOM 403 O LEU A 30 -12.753 -3.117 9.559 1.00 0.00 O ATOM 404 CB LEU A 30 -11.793 -0.191 11.619 1.00 0.00 C ATOM 405 CG LEU A 30 -10.980 0.144 12.870 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.302 -0.825 14.010 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.482 0.183 12.557 1.00 0.00 C ATOM 0 H LEU A 30 -10.039 -1.284 9.871 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.908 -2.263 11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.479 0.476 10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.842 0.027 11.822 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.265 1.141 13.205 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.710 -0.564 14.887 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.362 -0.759 14.255 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.063 -1.843 13.701 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.927 0.423 13.464 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.163 -0.790 12.183 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.288 0.943 11.801 1.00 0.00 H new ATOM 419 N ASP A 31 -13.507 -0.987 9.673 1.00 0.00 N ATOM 420 CA ASP A 31 -14.525 -1.175 8.653 1.00 0.00 C ATOM 421 C ASP A 31 -14.179 -0.325 7.430 1.00 0.00 C ATOM 422 O ASP A 31 -14.495 -0.698 6.301 1.00 0.00 O ATOM 423 CB ASP A 31 -15.900 -0.736 9.161 1.00 0.00 C ATOM 424 CG ASP A 31 -15.937 0.650 9.809 1.00 0.00 C ATOM 425 OD1 ASP A 31 -15.053 0.905 10.654 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.850 1.422 9.444 1.00 0.00 O ATOM 0 H ASP A 31 -13.469 -0.048 10.069 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.556 -2.234 8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.600 -0.749 8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.254 -1.469 9.886 1.00 0.00 H new ATOM 431 N THR A 32 -13.534 0.802 7.695 1.00 0.00 N ATOM 432 CA THR A 32 -13.142 1.708 6.629 1.00 0.00 C ATOM 433 C THR A 32 -11.784 2.341 6.940 1.00 0.00 C ATOM 434 O THR A 32 -11.417 3.354 6.347 1.00 0.00 O ATOM 435 CB THR A 32 -14.262 2.733 6.443 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.186 3.546 7.611 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.653 2.100 6.520 1.00 0.00 C ATOM 0 H THR A 32 -13.273 1.108 8.632 1.00 0.00 H new ATOM 0 HA THR A 32 -13.010 1.176 5.687 1.00 0.00 H new ATOM 0 HB THR A 32 -14.142 3.231 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.877 4.240 7.572 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.412 2.870 6.382 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.754 1.347 5.738 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.786 1.631 7.495 1.00 0.00 H new ATOM 445 N SER A 33 -11.075 1.717 7.870 1.00 0.00 N ATOM 446 CA SER A 33 -9.767 2.207 8.267 1.00 0.00 C ATOM 447 C SER A 33 -8.864 1.034 8.655 1.00 0.00 C ATOM 448 O SER A 33 -9.247 0.194 9.468 1.00 0.00 O ATOM 449 CB SER A 33 -9.878 3.197 9.428 1.00 0.00 C ATOM 450 OG SER A 33 -11.137 3.105 10.090 1.00 0.00 O ATOM 0 H SER A 33 -11.382 0.877 8.359 1.00 0.00 H new ATOM 0 HA SER A 33 -9.327 2.731 7.419 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.078 3.008 10.143 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.738 4.211 9.054 1.00 0.00 H new ATOM 0 HG SER A 33 -11.168 3.752 10.826 1.00 0.00 H new ATOM 456 N LEU A 34 -7.683 1.014 8.055 1.00 0.00 N ATOM 457 CA LEU A 34 -6.723 -0.043 8.327 1.00 0.00 C ATOM 458 C LEU A 34 -5.305 0.516 8.192 1.00 0.00 C ATOM 459 O LEU A 34 -5.115 1.624 7.694 1.00 0.00 O ATOM 460 CB LEU A 34 -6.994 -1.256 7.435 1.00 0.00 C ATOM 461 CG LEU A 34 -6.720 -1.065 5.942 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.216 -1.056 5.658 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.454 -2.118 5.110 1.00 0.00 C ATOM 0 H LEU A 34 -7.369 1.713 7.382 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.829 -0.400 9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.387 -2.088 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.037 -1.547 7.558 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.110 -0.092 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.048 -0.919 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.747 -0.239 6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.780 -2.003 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.242 -1.959 4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.117 -3.112 5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.527 -2.034 5.281 1.00 0.00 H new ATOM 475 N LYS A 35 -4.346 -0.278 8.645 1.00 0.00 N ATOM 476 CA LYS A 35 -2.951 0.123 8.581 1.00 0.00 C ATOM 477 C LYS A 35 -2.191 -0.834 7.660 1.00 0.00 C ATOM 478 O LYS A 35 -2.398 -2.045 7.710 1.00 0.00 O ATOM 479 CB LYS A 35 -2.357 0.223 9.988 1.00 0.00 C ATOM 480 CG LYS A 35 -0.831 0.314 9.933 1.00 0.00 C ATOM 481 CD LYS A 35 -0.186 -0.983 10.426 1.00 0.00 C ATOM 482 CE LYS A 35 1.224 -1.146 9.854 1.00 0.00 C ATOM 483 NZ LYS A 35 2.235 -0.666 10.823 1.00 0.00 N ATOM 0 H LYS A 35 -4.507 -1.197 9.058 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.861 1.120 8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.759 1.100 10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.652 -0.647 10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.512 0.517 8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.491 1.149 10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.142 -0.981 11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.802 -1.834 10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.408 -2.194 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.311 -0.588 8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.187 -0.799 10.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.079 0.344 11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.151 -1.205 11.708 1.00 0.00 H new ATOM 497 N VAL A 36 -1.328 -0.253 6.839 1.00 0.00 N ATOM 498 CA VAL A 36 -0.537 -1.039 5.907 1.00 0.00 C ATOM 499 C VAL A 36 0.933 -0.996 6.330 1.00 0.00 C ATOM 500 O VAL A 36 1.430 0.046 6.754 1.00 0.00 O ATOM 501 CB VAL A 36 -0.763 -0.540 4.478 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.135 -1.286 3.489 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.236 -0.662 4.082 1.00 0.00 C ATOM 0 H VAL A 36 -1.159 0.752 6.800 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.850 -2.083 5.926 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.494 0.516 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.045 -0.913 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.180 -1.126 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.089 -2.352 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.370 -0.301 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.543 -1.706 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.846 -0.066 4.761 1.00 0.00 H new ATOM 513 N SER A 37 1.587 -2.140 6.199 1.00 0.00 N ATOM 514 CA SER A 37 2.990 -2.246 6.563 1.00 0.00 C ATOM 515 C SER A 37 3.746 -3.051 5.504 1.00 0.00 C ATOM 516 O SER A 37 3.144 -3.826 4.761 1.00 0.00 O ATOM 517 CB SER A 37 3.155 -2.893 7.939 1.00 0.00 C ATOM 518 OG SER A 37 4.241 -3.815 7.969 1.00 0.00 O ATOM 0 H SER A 37 1.172 -3.002 5.846 1.00 0.00 H new ATOM 0 HA SER A 37 3.407 -1.240 6.612 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.317 -2.117 8.687 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.234 -3.409 8.210 1.00 0.00 H new ATOM 0 HG SER A 37 4.314 -4.205 8.865 1.00 0.00 H new ATOM 524 N TRP A 38 5.053 -2.841 5.468 1.00 0.00 N ATOM 525 CA TRP A 38 5.897 -3.538 4.512 1.00 0.00 C ATOM 526 C TRP A 38 7.348 -3.407 4.979 1.00 0.00 C ATOM 527 O TRP A 38 7.622 -2.766 5.993 1.00 0.00 O ATOM 528 CB TRP A 38 5.675 -3.007 3.095 1.00 0.00 C ATOM 529 CG TRP A 38 5.944 -1.508 2.943 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.117 -0.899 2.722 1.00 0.00 C ATOM 531 CD2 TRP A 38 4.967 -0.448 3.009 1.00 0.00 C ATOM 532 NE1 TRP A 38 6.968 0.471 2.642 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.619 0.753 2.821 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.578 -0.503 3.219 1.00 0.00 C ATOM 535 CZ2 TRP A 38 4.964 1.991 2.826 1.00 0.00 C ATOM 536 CZ3 TRP A 38 2.938 0.742 3.221 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.580 1.961 3.034 1.00 0.00 C ATOM 0 H TRP A 38 5.549 -2.198 6.085 1.00 0.00 H new ATOM 0 HA TRP A 38 5.639 -4.596 4.470 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.321 -3.553 2.408 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.647 -3.213 2.798 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.060 -1.415 2.619 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.711 1.151 2.481 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.047 -1.432 3.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.498 2.918 2.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.870 0.757 3.379 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.014 2.880 3.049 1.00 0.00 H new ATOM 548 N GLN A 39 8.240 -4.024 4.218 1.00 0.00 N ATOM 549 CA GLN A 39 9.656 -3.984 4.541 1.00 0.00 C ATOM 550 C GLN A 39 10.461 -3.491 3.337 1.00 0.00 C ATOM 551 O GLN A 39 9.894 -3.184 2.289 1.00 0.00 O ATOM 552 CB GLN A 39 10.151 -5.354 5.008 1.00 0.00 C ATOM 553 CG GLN A 39 10.521 -5.326 6.492 1.00 0.00 C ATOM 554 CD GLN A 39 11.512 -6.442 6.831 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.278 -6.901 5.999 1.00 0.00 O ATOM 556 NE2 GLN A 39 11.454 -6.852 8.095 1.00 0.00 N ATOM 0 H GLN A 39 8.009 -4.555 3.378 1.00 0.00 H new ATOM 0 HA GLN A 39 9.802 -3.283 5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.377 -6.102 4.836 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.018 -5.652 4.419 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.957 -4.359 6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.621 -5.437 7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.789 -6.425 8.740 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.075 -7.594 8.420 1.00 0.00 H new ATOM 565 N GLU A 40 11.771 -3.432 3.526 1.00 0.00 N ATOM 566 CA GLU A 40 12.660 -2.982 2.468 1.00 0.00 C ATOM 567 C GLU A 40 12.895 -4.107 1.458 1.00 0.00 C ATOM 568 O GLU A 40 13.026 -5.269 1.837 1.00 0.00 O ATOM 569 CB GLU A 40 13.985 -2.476 3.043 1.00 0.00 C ATOM 570 CG GLU A 40 14.131 -0.967 2.837 1.00 0.00 C ATOM 571 CD GLU A 40 15.234 -0.396 3.731 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.639 -1.121 4.666 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.648 0.751 3.459 1.00 0.00 O ATOM 0 H GLU A 40 12.238 -3.688 4.396 1.00 0.00 H new ATOM 0 HA GLU A 40 12.184 -2.149 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.036 -2.708 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.815 -2.994 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.361 -0.760 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.185 -0.473 3.059 1.00 0.00 H new ATOM 580 N PRO A 41 12.942 -3.711 0.158 1.00 0.00 N ATOM 581 CA PRO A 41 13.159 -4.673 -0.910 1.00 0.00 C ATOM 582 C PRO A 41 14.622 -5.120 -0.957 1.00 0.00 C ATOM 583 O PRO A 41 15.519 -4.360 -0.595 1.00 0.00 O ATOM 584 CB PRO A 41 12.715 -3.961 -2.177 1.00 0.00 C ATOM 585 CG PRO A 41 12.705 -2.478 -1.840 1.00 0.00 C ATOM 586 CD PRO A 41 12.791 -2.343 -0.329 1.00 0.00 C ATOM 0 HA PRO A 41 12.594 -5.594 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.397 -4.170 -3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.726 -4.298 -2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.545 -1.973 -2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.796 -2.008 -2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.637 -1.722 -0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.895 -1.874 0.078 1.00 0.00 H new ATOM 594 N GLY A 42 14.817 -6.351 -1.406 1.00 0.00 N ATOM 595 CA GLY A 42 16.155 -6.908 -1.505 1.00 0.00 C ATOM 596 C GLY A 42 16.922 -6.288 -2.674 1.00 0.00 C ATOM 597 O GLY A 42 18.145 -6.164 -2.623 1.00 0.00 O ATOM 0 H GLY A 42 14.071 -6.978 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.696 -6.731 -0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.094 -7.988 -1.637 1.00 0.00 H new ATOM 601 N GLU A 43 16.172 -5.914 -3.701 1.00 0.00 N ATOM 602 CA GLU A 43 16.766 -5.310 -4.881 1.00 0.00 C ATOM 603 C GLU A 43 16.890 -3.796 -4.697 1.00 0.00 C ATOM 604 O GLU A 43 16.610 -3.031 -5.619 1.00 0.00 O ATOM 605 CB GLU A 43 15.957 -5.646 -6.135 1.00 0.00 C ATOM 606 CG GLU A 43 16.505 -6.899 -6.822 1.00 0.00 C ATOM 607 CD GLU A 43 17.995 -6.746 -7.134 1.00 0.00 C ATOM 608 OE1 GLU A 43 18.295 -6.154 -8.193 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.800 -7.224 -6.306 1.00 0.00 O ATOM 0 H GLU A 43 15.158 -6.018 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 43 17.766 -5.723 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.912 -5.801 -5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.987 -4.805 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.351 -7.767 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.954 -7.083 -7.744 1.00 0.00 H new ATOM 616 N LYS A 44 17.309 -3.409 -3.501 1.00 0.00 N ATOM 617 CA LYS A 44 17.472 -2.001 -3.185 1.00 0.00 C ATOM 618 C LYS A 44 18.066 -1.277 -4.395 1.00 0.00 C ATOM 619 O LYS A 44 17.753 -0.113 -4.641 1.00 0.00 O ATOM 620 CB LYS A 44 18.292 -1.831 -1.904 1.00 0.00 C ATOM 621 CG LYS A 44 17.505 -2.310 -0.682 1.00 0.00 C ATOM 622 CD LYS A 44 18.123 -1.776 0.611 1.00 0.00 C ATOM 623 CE LYS A 44 17.100 -1.775 1.748 1.00 0.00 C ATOM 624 NZ LYS A 44 17.590 -2.581 2.888 1.00 0.00 N ATOM 0 H LYS A 44 17.540 -4.047 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 44 16.505 -1.542 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.222 -2.394 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.564 -0.783 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.470 -1.978 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.490 -3.400 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.980 -2.389 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.494 -0.764 0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.910 -0.752 2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.152 -2.177 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.066 -2.321 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.445 -3.591 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.604 -2.399 3.032 1.00 0.00 H new ATOM 638 N ASN A 45 18.911 -1.995 -5.119 1.00 0.00 N ATOM 639 CA ASN A 45 19.551 -1.436 -6.297 1.00 0.00 C ATOM 640 C ASN A 45 19.996 -0.003 -5.999 1.00 0.00 C ATOM 641 O ASN A 45 20.072 0.829 -6.902 1.00 0.00 O ATOM 642 CB ASN A 45 18.584 -1.393 -7.481 1.00 0.00 C ATOM 643 CG ASN A 45 18.954 -2.444 -8.530 1.00 0.00 C ATOM 644 OD1 ASN A 45 20.023 -2.424 -9.116 1.00 0.00 O ATOM 645 ND2 ASN A 45 18.012 -3.361 -8.733 1.00 0.00 N ATOM 0 H ASN A 45 19.168 -2.960 -4.912 1.00 0.00 H new ATOM 0 HA ASN A 45 20.403 -2.068 -6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.567 -1.566 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.601 -0.401 -7.933 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.163 -4.105 -9.414 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.138 -3.320 -8.208 1.00 0.00 H new ATOM 652 N GLY A 46 20.279 0.243 -4.727 1.00 0.00 N ATOM 653 CA GLY A 46 20.714 1.561 -4.298 1.00 0.00 C ATOM 654 C GLY A 46 20.069 1.944 -2.965 1.00 0.00 C ATOM 655 O GLY A 46 20.100 1.168 -2.011 1.00 0.00 O ATOM 0 H GLY A 46 20.215 -0.449 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.799 1.575 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.454 2.299 -5.057 1.00 0.00 H new ATOM 659 N ILE A 47 19.501 3.141 -2.941 1.00 0.00 N ATOM 660 CA ILE A 47 18.850 3.636 -1.741 1.00 0.00 C ATOM 661 C ILE A 47 17.460 4.165 -2.100 1.00 0.00 C ATOM 662 O ILE A 47 17.288 4.821 -3.127 1.00 0.00 O ATOM 663 CB ILE A 47 19.736 4.666 -1.037 1.00 0.00 C ATOM 664 CG1 ILE A 47 20.924 3.988 -0.350 1.00 0.00 C ATOM 665 CG2 ILE A 47 18.920 5.517 -0.062 1.00 0.00 C ATOM 666 CD1 ILE A 47 20.456 2.847 0.555 1.00 0.00 C ATOM 0 H ILE A 47 19.478 3.782 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 47 18.708 2.827 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 47 20.141 5.341 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.612 3.602 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.475 4.721 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.574 6.241 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.137 6.044 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.467 4.873 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.320 2.382 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.788 3.241 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.927 2.104 -0.041 1.00 0.00 H new ATOM 678 N LEU A 48 16.504 3.861 -1.235 1.00 0.00 N ATOM 679 CA LEU A 48 15.134 4.298 -1.449 1.00 0.00 C ATOM 680 C LEU A 48 14.956 5.703 -0.871 1.00 0.00 C ATOM 681 O LEU A 48 15.476 6.008 0.200 1.00 0.00 O ATOM 682 CB LEU A 48 14.150 3.271 -0.885 1.00 0.00 C ATOM 683 CG LEU A 48 14.526 1.801 -1.085 1.00 0.00 C ATOM 684 CD1 LEU A 48 15.031 1.553 -2.507 1.00 0.00 C ATOM 685 CD2 LEU A 48 15.537 1.346 -0.030 1.00 0.00 C ATOM 0 H LEU A 48 16.650 3.317 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 48 14.916 4.362 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.037 3.454 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.176 3.442 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 48 13.628 1.197 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.291 0.501 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.250 1.814 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.912 2.167 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.788 0.298 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.440 1.951 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.104 1.464 0.963 1.00 0.00 H new ATOM 697 N THR A 49 14.218 6.521 -1.607 1.00 0.00 N ATOM 698 CA THR A 49 13.964 7.887 -1.181 1.00 0.00 C ATOM 699 C THR A 49 12.519 8.036 -0.701 1.00 0.00 C ATOM 700 O THR A 49 12.096 9.128 -0.323 1.00 0.00 O ATOM 701 CB THR A 49 14.318 8.818 -2.342 1.00 0.00 C ATOM 702 OG1 THR A 49 13.504 8.357 -3.418 1.00 0.00 O ATOM 703 CG2 THR A 49 15.749 8.612 -2.843 1.00 0.00 C ATOM 0 H THR A 49 13.788 6.264 -2.495 1.00 0.00 H new ATOM 0 HA THR A 49 14.586 8.157 -0.328 1.00 0.00 H new ATOM 0 HB THR A 49 14.189 9.854 -2.028 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.669 8.907 -4.212 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.948 9.297 -3.667 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.450 8.807 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.869 7.585 -3.188 1.00 0.00 H new ATOM 711 N GLY A 50 11.801 6.923 -0.733 1.00 0.00 N ATOM 712 CA GLY A 50 10.412 6.916 -0.306 1.00 0.00 C ATOM 713 C GLY A 50 9.681 5.681 -0.837 1.00 0.00 C ATOM 714 O GLY A 50 10.288 4.824 -1.478 1.00 0.00 O ATOM 0 H GLY A 50 12.155 6.020 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.363 6.932 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.914 7.818 -0.661 1.00 0.00 H new ATOM 718 N TYR A 51 8.389 5.629 -0.550 1.00 0.00 N ATOM 719 CA TYR A 51 7.569 4.513 -0.991 1.00 0.00 C ATOM 720 C TYR A 51 6.209 4.998 -1.498 1.00 0.00 C ATOM 721 O TYR A 51 5.663 5.973 -0.984 1.00 0.00 O ATOM 722 CB TYR A 51 7.356 3.634 0.243 1.00 0.00 C ATOM 723 CG TYR A 51 8.647 3.052 0.823 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.247 1.966 0.220 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.212 3.615 1.950 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.462 1.419 0.767 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.427 3.069 2.496 1.00 0.00 C ATOM 728 CZ TYR A 51 10.992 1.997 1.878 1.00 0.00 C ATOM 729 OH TYR A 51 12.139 1.481 2.394 1.00 0.00 O ATOM 0 H TYR A 51 7.889 6.341 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 51 8.055 3.978 -1.807 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.856 4.222 1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.686 2.815 -0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.806 1.526 -0.662 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.742 4.465 2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.941 0.569 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.880 3.501 3.376 1.00 0.00 H new ATOM 0 HH TYR A 51 12.530 2.120 3.025 1.00 0.00 H new ATOM 739 N ARG A 52 5.702 4.295 -2.499 1.00 0.00 N ATOM 740 CA ARG A 52 4.416 4.641 -3.081 1.00 0.00 C ATOM 741 C ARG A 52 3.365 3.593 -2.710 1.00 0.00 C ATOM 742 O ARG A 52 3.552 2.405 -2.965 1.00 0.00 O ATOM 743 CB ARG A 52 4.511 4.741 -4.605 1.00 0.00 C ATOM 744 CG ARG A 52 3.445 5.689 -5.160 1.00 0.00 C ATOM 745 CD ARG A 52 3.352 5.579 -6.683 1.00 0.00 C ATOM 746 NE ARG A 52 4.659 5.910 -7.295 1.00 0.00 N ATOM 747 CZ ARG A 52 4.830 6.191 -8.594 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.779 6.185 -9.425 1.00 0.00 N ATOM 749 NH2 ARG A 52 6.052 6.480 -9.061 1.00 0.00 N ATOM 0 H ARG A 52 6.158 3.487 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 52 4.122 5.612 -2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.502 5.096 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.388 3.752 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.478 5.455 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.684 6.715 -4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.054 4.569 -6.965 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.584 6.255 -7.059 1.00 0.00 H new ATOM 0 HE ARG A 52 5.480 5.925 -6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.848 5.967 -9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.909 6.399 -10.414 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.852 6.486 -8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.183 6.694 -10.050 1.00 0.00 H new ATOM 763 N ILE A 53 2.284 4.072 -2.112 1.00 0.00 N ATOM 764 CA ILE A 53 1.203 3.191 -1.703 1.00 0.00 C ATOM 765 C ILE A 53 -0.077 3.583 -2.444 1.00 0.00 C ATOM 766 O ILE A 53 -0.300 4.759 -2.726 1.00 0.00 O ATOM 767 CB ILE A 53 1.057 3.195 -0.180 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.004 2.181 0.272 1.00 0.00 C ATOM 769 CG2 ILE A 53 0.758 4.602 0.339 1.00 0.00 C ATOM 770 CD1 ILE A 53 -0.189 2.230 1.789 1.00 0.00 C ATOM 0 H ILE A 53 2.133 5.059 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 53 1.427 2.160 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 53 2.008 2.888 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.943 2.389 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.308 1.178 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.659 4.576 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.573 5.272 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.172 4.962 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.943 1.500 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.754 1.998 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.516 3.228 2.082 1.00 0.00 H new ATOM 782 N SER A 54 -0.884 2.574 -2.738 1.00 0.00 N ATOM 783 CA SER A 54 -2.135 2.798 -3.441 1.00 0.00 C ATOM 784 C SER A 54 -3.148 1.715 -3.066 1.00 0.00 C ATOM 785 O SER A 54 -2.798 0.539 -2.971 1.00 0.00 O ATOM 786 CB SER A 54 -1.920 2.821 -4.956 1.00 0.00 C ATOM 787 OG SER A 54 -0.681 2.224 -5.328 1.00 0.00 O ATOM 0 H SER A 54 -0.696 1.600 -2.502 1.00 0.00 H new ATOM 0 HA SER A 54 -2.525 3.771 -3.142 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.738 2.294 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.947 3.851 -5.310 1.00 0.00 H new ATOM 0 HG SER A 54 -0.835 1.567 -6.038 1.00 0.00 H new ATOM 793 N TRP A 55 -4.383 2.149 -2.862 1.00 0.00 N ATOM 794 CA TRP A 55 -5.449 1.230 -2.499 1.00 0.00 C ATOM 795 C TRP A 55 -6.649 1.517 -3.403 1.00 0.00 C ATOM 796 O TRP A 55 -7.205 2.614 -3.373 1.00 0.00 O ATOM 797 CB TRP A 55 -5.782 1.338 -1.010 1.00 0.00 C ATOM 798 CG TRP A 55 -6.382 2.686 -0.603 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.622 3.140 -0.829 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.712 3.743 0.116 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.800 4.406 -0.312 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.601 4.785 0.281 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.397 3.816 0.610 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.273 5.975 0.941 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -4.085 5.013 1.267 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.969 6.071 1.442 1.00 0.00 C ATOM 0 H TRP A 55 -4.670 3.125 -2.941 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.137 0.197 -2.653 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.482 0.546 -0.746 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.874 1.166 -0.432 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.387 2.584 -1.351 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.654 4.962 -0.356 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.685 3.013 0.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.988 6.776 1.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -3.087 5.121 1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.652 6.963 1.962 1.00 0.00 H new ATOM 817 N GLU A 56 -7.014 0.513 -4.186 1.00 0.00 N ATOM 818 CA GLU A 56 -8.138 0.644 -5.097 1.00 0.00 C ATOM 819 C GLU A 56 -9.048 -0.582 -4.997 1.00 0.00 C ATOM 820 O GLU A 56 -9.194 -1.332 -5.962 1.00 0.00 O ATOM 821 CB GLU A 56 -7.658 0.855 -6.534 1.00 0.00 C ATOM 822 CG GLU A 56 -7.019 -0.419 -7.091 1.00 0.00 C ATOM 823 CD GLU A 56 -5.922 -0.084 -8.103 1.00 0.00 C ATOM 824 OE1 GLU A 56 -6.289 0.219 -9.259 1.00 0.00 O ATOM 825 OE2 GLU A 56 -4.740 -0.139 -7.698 1.00 0.00 O ATOM 0 H GLU A 56 -6.551 -0.396 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.713 1.524 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.499 1.149 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.936 1.671 -6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.599 -1.006 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.782 -1.035 -7.567 1.00 0.00 H new ATOM 832 N GLU A 57 -9.637 -0.749 -3.822 1.00 0.00 N ATOM 833 CA GLU A 57 -10.528 -1.872 -3.584 1.00 0.00 C ATOM 834 C GLU A 57 -9.997 -3.127 -4.279 1.00 0.00 C ATOM 835 O GLU A 57 -8.823 -3.194 -4.637 1.00 0.00 O ATOM 836 CB GLU A 57 -11.951 -1.549 -4.045 1.00 0.00 C ATOM 837 CG GLU A 57 -12.889 -1.377 -2.849 1.00 0.00 C ATOM 838 CD GLU A 57 -14.352 -1.365 -3.297 1.00 0.00 C ATOM 839 OE1 GLU A 57 -14.856 -2.463 -3.620 1.00 0.00 O ATOM 840 OE2 GLU A 57 -14.933 -0.259 -3.306 1.00 0.00 O ATOM 0 H GLU A 57 -9.515 -0.125 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.563 -2.063 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.946 -0.637 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.319 -2.348 -4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.729 -2.187 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.656 -0.447 -2.330 1.00 0.00 H new ATOM 847 N TYR A 58 -10.889 -4.092 -4.449 1.00 0.00 N ATOM 848 CA TYR A 58 -10.526 -5.342 -5.095 1.00 0.00 C ATOM 849 C TYR A 58 -10.763 -5.268 -6.604 1.00 0.00 C ATOM 850 O TYR A 58 -9.974 -5.797 -7.387 1.00 0.00 O ATOM 851 CB TYR A 58 -11.446 -6.409 -4.498 1.00 0.00 C ATOM 852 CG TYR A 58 -11.529 -7.693 -5.325 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.390 -8.433 -5.566 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.744 -8.111 -5.830 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.468 -9.642 -6.345 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.822 -9.320 -6.609 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.680 -10.025 -6.828 1.00 0.00 C ATOM 858 OH TYR A 58 -11.754 -11.167 -7.563 1.00 0.00 O ATOM 0 H TYR A 58 -11.863 -4.033 -4.150 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.471 -5.564 -4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.096 -6.657 -3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.448 -5.992 -4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.440 -8.106 -5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.636 -7.532 -5.641 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.584 -10.231 -6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.766 -9.659 -7.010 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.682 -11.317 -7.841 1.00 0.00 H new ATOM 868 N ASN A 59 -11.853 -4.609 -6.969 1.00 0.00 N ATOM 869 CA ASN A 59 -12.203 -4.459 -8.371 1.00 0.00 C ATOM 870 C ASN A 59 -12.830 -3.081 -8.591 1.00 0.00 C ATOM 871 O ASN A 59 -13.889 -2.968 -9.207 1.00 0.00 O ATOM 872 CB ASN A 59 -13.222 -5.517 -8.800 1.00 0.00 C ATOM 873 CG ASN A 59 -12.944 -6.001 -10.224 1.00 0.00 C ATOM 874 OD1 ASN A 59 -13.110 -5.281 -11.195 1.00 0.00 O ATOM 875 ND2 ASN A 59 -12.514 -7.257 -10.294 1.00 0.00 N ATOM 0 H ASN A 59 -12.506 -4.173 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.293 -4.575 -8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.186 -6.361 -8.112 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.228 -5.102 -8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.301 -7.673 -11.200 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.397 -7.804 -9.441 1.00 0.00 H new ATOM 882 N ARG A 60 -12.150 -2.068 -8.075 1.00 0.00 N ATOM 883 CA ARG A 60 -12.628 -0.702 -8.208 1.00 0.00 C ATOM 884 C ARG A 60 -11.449 0.275 -8.207 1.00 0.00 C ATOM 885 O ARG A 60 -10.702 0.350 -7.233 1.00 0.00 O ATOM 886 CB ARG A 60 -13.582 -0.339 -7.069 1.00 0.00 C ATOM 887 CG ARG A 60 -14.974 -0.926 -7.312 1.00 0.00 C ATOM 888 CD ARG A 60 -15.871 -0.735 -6.087 1.00 0.00 C ATOM 889 NE ARG A 60 -17.247 -0.396 -6.515 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.616 0.810 -6.969 1.00 0.00 C ATOM 891 NH1 ARG A 60 -16.716 1.798 -7.057 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.887 1.027 -7.335 1.00 0.00 N ATOM 0 H ARG A 60 -11.272 -2.165 -7.564 1.00 0.00 H new ATOM 0 HA ARG A 60 -13.165 -0.629 -9.154 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.186 -0.712 -6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.651 0.745 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -15.429 -0.446 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.890 -1.988 -7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.882 -1.646 -5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.472 0.058 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 60 -17.958 -1.125 -6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.749 1.633 -6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.998 2.715 -7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -19.573 0.275 -7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.169 1.944 -7.681 1.00 0.00 H new ATOM 906 N THR A 61 -11.321 0.998 -9.310 1.00 0.00 N ATOM 907 CA THR A 61 -10.246 1.966 -9.449 1.00 0.00 C ATOM 908 C THR A 61 -10.672 3.320 -8.879 1.00 0.00 C ATOM 909 O THR A 61 -9.829 4.132 -8.501 1.00 0.00 O ATOM 910 CB THR A 61 -9.851 2.025 -10.926 1.00 0.00 C ATOM 911 OG1 THR A 61 -9.403 0.704 -11.219 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.619 2.899 -11.168 1.00 0.00 C ATOM 0 H THR A 61 -11.944 0.933 -10.115 1.00 0.00 H new ATOM 0 HA THR A 61 -9.368 1.668 -8.875 1.00 0.00 H new ATOM 0 HB THR A 61 -10.688 2.408 -11.510 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.129 0.652 -12.158 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.382 2.907 -12.232 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.823 3.916 -10.835 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.773 2.498 -10.610 1.00 0.00 H new ATOM 920 N ASN A 62 -11.981 3.523 -8.836 1.00 0.00 N ATOM 921 CA ASN A 62 -12.529 4.765 -8.319 1.00 0.00 C ATOM 922 C ASN A 62 -12.086 4.947 -6.865 1.00 0.00 C ATOM 923 O ASN A 62 -12.109 6.059 -6.340 1.00 0.00 O ATOM 924 CB ASN A 62 -14.059 4.747 -8.348 1.00 0.00 C ATOM 925 CG ASN A 62 -14.637 5.914 -7.544 1.00 0.00 C ATOM 926 OD1 ASN A 62 -14.728 7.037 -8.010 1.00 0.00 O ATOM 927 ND2 ASN A 62 -15.020 5.585 -6.314 1.00 0.00 N ATOM 0 H ASN A 62 -12.678 2.848 -9.151 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.166 5.580 -8.945 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.407 4.804 -9.379 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.423 3.804 -7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.418 6.293 -5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.915 4.625 -5.987 1.00 0.00 H new ATOM 934 N THR A 63 -11.694 3.838 -6.257 1.00 0.00 N ATOM 935 CA THR A 63 -11.246 3.861 -4.875 1.00 0.00 C ATOM 936 C THR A 63 -9.720 3.946 -4.809 1.00 0.00 C ATOM 937 O THR A 63 -9.142 3.971 -3.724 1.00 0.00 O ATOM 938 CB THR A 63 -11.817 2.627 -4.173 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.041 1.546 -4.685 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.244 2.306 -4.620 1.00 0.00 C ATOM 0 H THR A 63 -11.677 2.917 -6.696 1.00 0.00 H new ATOM 0 HA THR A 63 -11.611 4.747 -4.356 1.00 0.00 H new ATOM 0 HB THR A 63 -11.802 2.784 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.293 1.375 -5.616 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.601 1.422 -4.091 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.895 3.151 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.255 2.116 -5.693 1.00 0.00 H new ATOM 948 N ARG A 64 -9.111 3.988 -5.985 1.00 0.00 N ATOM 949 CA ARG A 64 -7.663 4.070 -6.075 1.00 0.00 C ATOM 950 C ARG A 64 -7.173 5.416 -5.538 1.00 0.00 C ATOM 951 O ARG A 64 -7.870 6.424 -5.649 1.00 0.00 O ATOM 952 CB ARG A 64 -7.191 3.903 -7.521 1.00 0.00 C ATOM 953 CG ARG A 64 -5.720 3.486 -7.573 1.00 0.00 C ATOM 954 CD ARG A 64 -4.814 4.696 -7.807 1.00 0.00 C ATOM 955 NE ARG A 64 -3.412 4.350 -7.483 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.650 3.533 -8.222 1.00 0.00 C ATOM 957 NH1 ARG A 64 -3.149 2.974 -9.333 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.388 3.276 -7.851 1.00 0.00 N ATOM 0 H ARG A 64 -9.594 3.967 -6.883 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.247 3.262 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.803 3.154 -8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.327 4.840 -8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.444 2.996 -6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.573 2.758 -8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.887 5.019 -8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.143 5.532 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.000 4.759 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.109 3.171 -9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.569 2.352 -9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.008 3.703 -7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.808 2.654 -8.414 1.00 0.00 H new ATOM 972 N VAL A 65 -5.978 5.390 -4.968 1.00 0.00 N ATOM 973 CA VAL A 65 -5.386 6.596 -4.413 1.00 0.00 C ATOM 974 C VAL A 65 -3.865 6.524 -4.555 1.00 0.00 C ATOM 975 O VAL A 65 -3.297 5.437 -4.650 1.00 0.00 O ATOM 976 CB VAL A 65 -5.843 6.784 -2.965 1.00 0.00 C ATOM 977 CG1 VAL A 65 -5.196 5.746 -2.046 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.551 8.205 -2.478 1.00 0.00 C ATOM 0 H VAL A 65 -5.403 4.553 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.722 7.475 -4.963 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.922 6.633 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.538 5.902 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.477 4.745 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.112 5.850 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.886 8.312 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.479 8.396 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.080 8.921 -3.107 1.00 0.00 H new ATOM 988 N THR A 66 -3.248 7.697 -4.566 1.00 0.00 N ATOM 989 CA THR A 66 -1.803 7.781 -4.695 1.00 0.00 C ATOM 990 C THR A 66 -1.205 8.544 -3.511 1.00 0.00 C ATOM 991 O THR A 66 -1.505 9.720 -3.311 1.00 0.00 O ATOM 992 CB THR A 66 -1.485 8.416 -6.050 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.161 7.585 -6.990 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.009 8.282 -6.428 1.00 0.00 C ATOM 0 H THR A 66 -3.722 8.597 -4.488 1.00 0.00 H new ATOM 0 HA THR A 66 -1.346 6.792 -4.668 1.00 0.00 H new ATOM 0 HB THR A 66 -1.760 9.471 -6.030 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.009 7.926 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.162 8.749 -7.398 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.606 8.774 -5.675 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.259 7.227 -6.481 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.370 7.844 -2.757 1.00 0.00 N ATOM 1003 CA HIS A 67 0.272 8.441 -1.599 1.00 0.00 C ATOM 1004 C HIS A 67 1.785 8.234 -1.688 1.00 0.00 C ATOM 1005 O HIS A 67 2.253 7.341 -2.393 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.326 7.891 -0.302 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.627 8.546 0.100 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.732 8.031 0.710 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.891 9.886 -0.122 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.624 9.004 0.854 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -3.104 10.155 0.339 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.123 6.869 -2.926 1.00 0.00 H new ATOM 0 HA HIS A 67 0.087 9.515 -1.589 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.490 6.819 -0.415 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.398 8.019 0.503 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.853 7.062 1.006 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.222 10.592 -0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.600 8.901 1.305 1.00 0.00 H new ATOM 1019 N TYR A 68 2.509 9.074 -0.962 1.00 0.00 N ATOM 1020 CA TYR A 68 3.960 8.994 -0.950 1.00 0.00 C ATOM 1021 C TYR A 68 4.499 9.039 0.481 1.00 0.00 C ATOM 1022 O TYR A 68 4.015 9.811 1.307 1.00 0.00 O ATOM 1023 CB TYR A 68 4.456 10.227 -1.708 1.00 0.00 C ATOM 1024 CG TYR A 68 4.116 10.218 -3.200 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.593 9.209 -4.011 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.331 11.220 -3.734 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.273 9.201 -5.415 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.011 11.212 -5.138 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.498 10.203 -5.909 1.00 0.00 C ATOM 1030 OH TYR A 68 3.195 10.195 -7.235 1.00 0.00 O ATOM 0 H TYR A 68 2.118 9.813 -0.378 1.00 0.00 H new ATOM 0 HA TYR A 68 4.297 8.061 -1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.025 11.119 -1.253 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.537 10.301 -1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.207 8.425 -3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.957 12.010 -3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.640 8.417 -6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.398 11.990 -5.569 1.00 0.00 H new ATOM 0 HH TYR A 68 2.634 10.970 -7.447 1.00 0.00 H new ATOM 1040 N LEU A 69 5.495 8.202 0.731 1.00 0.00 N ATOM 1041 CA LEU A 69 6.106 8.136 2.047 1.00 0.00 C ATOM 1042 C LEU A 69 7.628 8.202 1.903 1.00 0.00 C ATOM 1043 O LEU A 69 8.165 7.933 0.830 1.00 0.00 O ATOM 1044 CB LEU A 69 5.613 6.902 2.806 1.00 0.00 C ATOM 1045 CG LEU A 69 4.120 6.592 2.684 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.834 5.129 3.027 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.290 7.553 3.537 1.00 0.00 C ATOM 0 H LEU A 69 5.894 7.563 0.043 1.00 0.00 H new ATOM 0 HA LEU A 69 5.805 8.993 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.174 6.036 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.852 7.030 3.862 1.00 0.00 H new ATOM 0 HG LEU A 69 3.823 6.743 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.766 4.935 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.382 4.481 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.150 4.927 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.232 7.311 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.583 7.457 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.463 8.577 3.204 1.00 0.00 H new ATOM 1059 N PRO A 70 8.296 8.572 3.028 1.00 0.00 N ATOM 1060 CA PRO A 70 9.746 8.677 3.037 1.00 0.00 C ATOM 1061 C PRO A 70 10.395 7.292 3.064 1.00 0.00 C ATOM 1062 O PRO A 70 9.707 6.282 3.197 1.00 0.00 O ATOM 1063 CB PRO A 70 10.072 9.511 4.265 1.00 0.00 C ATOM 1064 CG PRO A 70 8.838 9.450 5.151 1.00 0.00 C ATOM 1065 CD PRO A 70 7.693 8.899 4.316 1.00 0.00 C ATOM 0 HA PRO A 70 10.140 9.148 2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.945 9.116 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.303 10.540 3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.020 8.813 6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.591 10.441 5.531 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.252 8.018 4.782 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.895 9.633 4.204 1.00 0.00 H new ATOM 1073 N ASN A 71 11.714 7.290 2.937 1.00 0.00 N ATOM 1074 CA ASN A 71 12.465 6.046 2.945 1.00 0.00 C ATOM 1075 C ASN A 71 12.727 5.624 4.392 1.00 0.00 C ATOM 1076 O ASN A 71 13.623 4.823 4.656 1.00 0.00 O ATOM 1077 CB ASN A 71 13.817 6.214 2.249 1.00 0.00 C ATOM 1078 CG ASN A 71 14.795 6.991 3.132 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.442 7.950 3.799 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.041 6.527 3.098 1.00 0.00 N ATOM 0 H ASN A 71 12.282 8.130 2.828 1.00 0.00 H new ATOM 0 HA ASN A 71 11.879 5.294 2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.233 5.234 2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.680 6.738 1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.769 6.979 3.652 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.269 5.720 2.518 1.00 0.00 H new ATOM 1087 N VAL A 72 11.930 6.181 5.292 1.00 0.00 N ATOM 1088 CA VAL A 72 12.065 5.872 6.705 1.00 0.00 C ATOM 1089 C VAL A 72 10.795 5.171 7.193 1.00 0.00 C ATOM 1090 O VAL A 72 10.801 4.527 8.241 1.00 0.00 O ATOM 1091 CB VAL A 72 12.384 7.146 7.491 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.584 7.877 6.887 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.163 8.065 7.565 1.00 0.00 C ATOM 0 H VAL A 72 11.188 6.845 5.070 1.00 0.00 H new ATOM 0 HA VAL A 72 12.898 5.188 6.869 1.00 0.00 H new ATOM 0 HB VAL A 72 12.646 6.855 8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.789 8.778 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.457 7.225 6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.362 8.150 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.417 8.963 8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.856 8.344 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.345 7.544 8.062 1.00 0.00 H new ATOM 1103 N THR A 73 9.737 5.320 6.410 1.00 0.00 N ATOM 1104 CA THR A 73 8.463 4.710 6.749 1.00 0.00 C ATOM 1105 C THR A 73 8.164 3.542 5.806 1.00 0.00 C ATOM 1106 O THR A 73 8.451 3.614 4.613 1.00 0.00 O ATOM 1107 CB THR A 73 7.392 5.802 6.721 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.642 6.563 7.900 1.00 0.00 O ATOM 1109 CG2 THR A 73 5.982 5.246 6.928 1.00 0.00 C ATOM 0 H THR A 73 9.736 5.855 5.541 1.00 0.00 H new ATOM 0 HA THR A 73 8.484 4.282 7.751 1.00 0.00 H new ATOM 0 HB THR A 73 7.437 6.330 5.768 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.993 7.295 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.261 6.063 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.753 4.532 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.926 4.747 7.895 1.00 0.00 H new ATOM 1117 N LEU A 74 7.591 2.493 6.379 1.00 0.00 N ATOM 1118 CA LEU A 74 7.250 1.312 5.605 1.00 0.00 C ATOM 1119 C LEU A 74 5.807 0.905 5.912 1.00 0.00 C ATOM 1120 O LEU A 74 5.348 -0.147 5.471 1.00 0.00 O ATOM 1121 CB LEU A 74 8.268 0.197 5.852 1.00 0.00 C ATOM 1122 CG LEU A 74 9.731 0.635 5.949 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.516 -0.281 6.889 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.372 0.718 4.562 1.00 0.00 C ATOM 0 H LEU A 74 7.355 2.437 7.370 1.00 0.00 H new ATOM 0 HA LEU A 74 7.301 1.529 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.000 -0.314 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.180 -0.533 5.047 1.00 0.00 H new ATOM 0 HG LEU A 74 9.760 1.637 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.553 0.052 6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.074 -0.245 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.482 -1.304 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.411 1.031 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.331 -0.260 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.830 1.442 3.954 1.00 0.00 H new ATOM 1136 N GLU A 75 5.132 1.761 6.665 1.00 0.00 N ATOM 1137 CA GLU A 75 3.751 1.504 7.036 1.00 0.00 C ATOM 1138 C GLU A 75 2.928 2.790 6.941 1.00 0.00 C ATOM 1139 O GLU A 75 3.476 3.889 7.015 1.00 0.00 O ATOM 1140 CB GLU A 75 3.664 0.900 8.439 1.00 0.00 C ATOM 1141 CG GLU A 75 3.986 1.946 9.508 1.00 0.00 C ATOM 1142 CD GLU A 75 5.306 1.623 10.212 1.00 0.00 C ATOM 1143 OE1 GLU A 75 6.350 2.073 9.693 1.00 0.00 O ATOM 1144 OE2 GLU A 75 5.240 0.932 11.251 1.00 0.00 O ATOM 0 H GLU A 75 5.516 2.633 7.028 1.00 0.00 H new ATOM 0 HA GLU A 75 3.336 0.778 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.663 0.501 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.358 0.064 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.046 2.933 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.179 1.983 10.240 1.00 0.00 H new ATOM 1151 N TYR A 76 1.625 2.611 6.778 1.00 0.00 N ATOM 1152 CA TYR A 76 0.721 3.743 6.672 1.00 0.00 C ATOM 1153 C TYR A 76 -0.717 3.328 6.989 1.00 0.00 C ATOM 1154 O TYR A 76 -1.112 2.194 6.723 1.00 0.00 O ATOM 1155 CB TYR A 76 0.796 4.207 5.216 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.186 5.328 4.869 1.00 0.00 C ATOM 1157 CD1 TYR A 76 0.191 6.647 5.015 1.00 0.00 C ATOM 1158 CD2 TYR A 76 -1.450 5.019 4.409 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -0.733 7.701 4.688 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -2.375 6.073 4.082 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.971 7.362 4.238 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.844 8.358 3.929 1.00 0.00 O ATOM 0 H TYR A 76 1.174 1.698 6.717 1.00 0.00 H new ATOM 0 HA TYR A 76 1.002 4.526 7.376 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.810 4.548 5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.604 3.355 4.564 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.180 6.889 5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.745 3.987 4.294 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.450 8.737 4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.367 5.845 3.721 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.688 7.969 3.620 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.460 4.269 7.552 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.846 4.016 7.908 1.00 0.00 C ATOM 1174 C ARG A 77 -3.779 4.544 6.817 1.00 0.00 C ATOM 1175 O ARG A 77 -3.707 5.715 6.447 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.202 4.679 9.240 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.464 4.057 9.841 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.619 5.061 9.852 1.00 0.00 C ATOM 1179 NE ARG A 77 -6.143 5.216 11.227 1.00 0.00 N ATOM 1180 CZ ARG A 77 -6.749 6.321 11.680 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -6.912 7.376 10.870 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -7.193 6.373 12.943 1.00 0.00 N ATOM 0 H ARG A 77 -1.128 5.208 7.771 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.972 2.938 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.371 4.571 9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.355 5.748 9.089 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.749 3.176 9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.260 3.721 10.858 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.278 6.024 9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.413 4.721 9.188 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.036 4.432 11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.575 7.337 9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.374 8.218 11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.070 5.571 13.560 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.654 7.215 13.287 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.634 3.655 6.333 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.581 4.017 5.292 1.00 0.00 C ATOM 1198 C VAL A 78 -6.954 4.263 5.920 1.00 0.00 C ATOM 1199 O VAL A 78 -7.268 3.708 6.972 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.604 2.938 4.208 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.453 3.379 3.013 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.185 2.572 3.767 1.00 0.00 C ATOM 0 H VAL A 78 -4.691 2.685 6.643 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.277 4.943 4.804 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.063 2.046 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.453 2.594 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.475 3.565 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.036 4.292 2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.231 1.803 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.688 3.457 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.624 2.195 4.622 1.00 0.00 H new ATOM 1212 N THR A 79 -7.736 5.095 5.249 1.00 0.00 N ATOM 1213 CA THR A 79 -9.068 5.422 5.728 1.00 0.00 C ATOM 1214 C THR A 79 -9.990 5.758 4.554 1.00 0.00 C ATOM 1215 O THR A 79 -9.521 6.116 3.475 1.00 0.00 O ATOM 1216 CB THR A 79 -8.940 6.558 6.745 1.00 0.00 C ATOM 1217 OG1 THR A 79 -8.310 7.607 6.015 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.947 6.233 7.863 1.00 0.00 C ATOM 0 H THR A 79 -7.472 5.553 4.377 1.00 0.00 H new ATOM 0 HA THR A 79 -9.528 4.570 6.228 1.00 0.00 H new ATOM 0 HB THR A 79 -9.917 6.770 7.178 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.190 8.385 6.599 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.894 7.072 8.557 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.278 5.341 8.396 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.961 6.054 7.434 1.00 0.00 H new ATOM 1226 N GLY A 80 -11.285 5.631 4.804 1.00 0.00 N ATOM 1227 CA GLY A 80 -12.277 5.917 3.782 1.00 0.00 C ATOM 1228 C GLY A 80 -12.489 4.706 2.870 1.00 0.00 C ATOM 1229 O GLY A 80 -12.754 4.860 1.679 1.00 0.00 O ATOM 0 H GLY A 80 -11.670 5.334 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.221 6.192 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.956 6.773 3.188 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.366 3.529 3.466 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.542 2.293 2.723 1.00 0.00 C ATOM 1235 C LEU A 81 -13.997 1.835 2.839 1.00 0.00 C ATOM 1236 O LEU A 81 -14.892 2.650 3.060 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.528 1.243 3.182 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.099 1.742 3.403 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.341 0.826 4.366 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.364 1.907 2.072 1.00 0.00 C ATOM 0 H LEU A 81 -12.147 3.405 4.454 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.342 2.454 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.886 0.803 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.502 0.444 2.441 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.149 2.727 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.328 1.203 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.855 0.803 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.299 -0.182 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.351 2.263 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.323 0.947 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.894 2.629 1.451 1.00 0.00 H new ATOM 1252 N THR A 82 -14.188 0.533 2.686 1.00 0.00 N ATOM 1253 CA THR A 82 -15.520 -0.043 2.771 1.00 0.00 C ATOM 1254 C THR A 82 -15.531 -1.218 3.751 1.00 0.00 C ATOM 1255 O THR A 82 -14.604 -2.025 3.768 1.00 0.00 O ATOM 1256 CB THR A 82 -15.960 -0.427 1.357 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.693 0.739 0.582 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.475 -0.610 1.245 1.00 0.00 C ATOM 0 H THR A 82 -13.443 -0.140 2.504 1.00 0.00 H new ATOM 0 HA THR A 82 -16.238 0.676 3.166 1.00 0.00 H new ATOM 0 HB THR A 82 -15.460 -1.348 1.059 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.803 0.667 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.734 -0.882 0.222 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.797 -1.400 1.923 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.975 0.322 1.510 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.591 -1.276 4.543 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.735 -2.338 5.524 1.00 0.00 C ATOM 1268 C ALA A 83 -16.888 -3.677 4.800 1.00 0.00 C ATOM 1269 O ALA A 83 -17.518 -3.748 3.745 1.00 0.00 O ATOM 1270 CB ALA A 83 -17.922 -2.031 6.439 1.00 0.00 C ATOM 0 H ALA A 83 -17.359 -0.605 4.525 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.847 -2.402 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.030 -2.828 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.751 -1.084 6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.832 -1.962 5.843 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.302 -4.706 5.394 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.365 -6.038 4.819 1.00 0.00 C ATOM 1278 C LEU A 84 -16.193 -5.943 3.302 1.00 0.00 C ATOM 1279 O LEU A 84 -17.061 -6.377 2.546 1.00 0.00 O ATOM 1280 CB LEU A 84 -17.651 -6.747 5.249 1.00 0.00 C ATOM 1281 CG LEU A 84 -17.885 -6.857 6.757 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.000 -7.857 7.067 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -16.586 -7.201 7.489 1.00 0.00 C ATOM 0 H LEU A 84 -15.781 -4.644 6.269 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.548 -6.654 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.497 -6.221 4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.646 -7.752 4.828 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.214 -5.885 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.146 -7.916 8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -19.925 -7.529 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -18.725 -8.839 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.780 -7.273 8.559 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.204 -8.154 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -15.848 -6.420 7.306 1.00 0.00 H new ATOM 1295 N THR A 85 -15.067 -5.372 2.901 1.00 0.00 N ATOM 1296 CA THR A 85 -14.770 -5.214 1.487 1.00 0.00 C ATOM 1297 C THR A 85 -13.284 -5.465 1.223 1.00 0.00 C ATOM 1298 O THR A 85 -12.428 -4.992 1.971 1.00 0.00 O ATOM 1299 CB THR A 85 -15.237 -3.822 1.059 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.632 -3.982 0.818 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.669 -3.406 -0.300 1.00 0.00 C ATOM 0 H THR A 85 -14.349 -5.013 3.530 1.00 0.00 H new ATOM 0 HA THR A 85 -15.303 -5.950 0.886 1.00 0.00 H new ATOM 0 HB THR A 85 -14.943 -3.093 1.814 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.116 -3.954 1.669 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.031 -2.411 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.580 -3.394 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 85 -14.990 -4.117 -1.062 1.00 0.00 H new ATOM 1309 N THR A 86 -13.021 -6.207 0.158 1.00 0.00 N ATOM 1310 CA THR A 86 -11.654 -6.526 -0.214 1.00 0.00 C ATOM 1311 C THR A 86 -10.999 -5.333 -0.912 1.00 0.00 C ATOM 1312 O THR A 86 -11.626 -4.672 -1.738 1.00 0.00 O ATOM 1313 CB THR A 86 -11.680 -7.793 -1.071 1.00 0.00 C ATOM 1314 OG1 THR A 86 -12.480 -8.703 -0.322 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.313 -8.476 -1.150 1.00 0.00 C ATOM 0 H THR A 86 -13.733 -6.597 -0.460 1.00 0.00 H new ATOM 0 HA THR A 86 -11.041 -6.724 0.665 1.00 0.00 H new ATOM 0 HB THR A 86 -12.019 -7.543 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.551 -9.552 -0.807 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.388 -9.369 -1.770 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.588 -7.790 -1.588 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.988 -8.756 -0.148 1.00 0.00 H new ATOM 1323 N TYR A 87 -9.746 -5.094 -0.555 1.00 0.00 N ATOM 1324 CA TYR A 87 -8.999 -3.992 -1.137 1.00 0.00 C ATOM 1325 C TYR A 87 -7.595 -4.438 -1.549 1.00 0.00 C ATOM 1326 O TYR A 87 -7.002 -5.305 -0.909 1.00 0.00 O ATOM 1327 CB TYR A 87 -8.883 -2.934 -0.038 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.066 -1.966 0.022 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.210 -2.316 0.709 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -9.989 -0.742 -0.612 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.324 -1.404 0.765 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.102 0.169 -0.556 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.215 -0.207 0.130 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.267 0.654 0.183 1.00 0.00 O ATOM 0 H TYR A 87 -9.229 -5.645 0.130 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.502 -3.616 -2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.788 -3.435 0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -7.967 -2.363 -0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.271 -3.274 1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.094 -0.468 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.225 -1.665 1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.055 1.129 -1.048 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.048 1.470 -0.314 1.00 0.00 H new ATOM 1344 N THR A 88 -7.103 -3.825 -2.616 1.00 0.00 N ATOM 1345 CA THR A 88 -5.780 -4.148 -3.121 1.00 0.00 C ATOM 1346 C THR A 88 -4.803 -3.008 -2.827 1.00 0.00 C ATOM 1347 O THR A 88 -4.810 -1.988 -3.515 1.00 0.00 O ATOM 1348 CB THR A 88 -5.908 -4.470 -4.612 1.00 0.00 C ATOM 1349 OG1 THR A 88 -6.301 -5.839 -4.639 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.559 -4.455 -5.332 1.00 0.00 C ATOM 0 H THR A 88 -7.597 -3.106 -3.145 1.00 0.00 H new ATOM 0 HA THR A 88 -5.368 -5.024 -2.619 1.00 0.00 H new ATOM 0 HB THR A 88 -6.578 -3.750 -5.082 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.409 -6.130 -5.569 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.707 -4.690 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.108 -3.467 -5.240 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.899 -5.198 -4.884 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.987 -3.219 -1.806 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.006 -2.221 -1.412 1.00 0.00 C ATOM 1360 C ILE A 89 -1.670 -2.532 -2.088 1.00 0.00 C ATOM 1361 O ILE A 89 -1.066 -3.572 -1.829 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.918 -2.129 0.112 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.306 -2.223 0.749 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.175 -0.863 0.543 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.180 -1.037 0.338 1.00 0.00 C ATOM 0 H ILE A 89 -3.984 -4.067 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.312 -1.231 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.340 -2.980 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.786 -3.154 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.211 -2.250 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.127 -0.822 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.164 -0.878 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.704 0.014 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.161 -1.129 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.709 -0.109 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.294 -1.027 -0.746 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.247 -1.611 -2.942 1.00 0.00 N ATOM 1378 CA GLU A 90 0.008 -1.773 -3.657 1.00 0.00 C ATOM 1379 C GLU A 90 1.093 -0.895 -3.032 1.00 0.00 C ATOM 1380 O GLU A 90 0.950 0.325 -2.971 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.164 -1.457 -5.144 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.265 -2.320 -5.764 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.144 -1.494 -6.707 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.966 -0.715 -6.178 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -1.973 -1.660 -7.933 1.00 0.00 O ATOM 0 H GLU A 90 -1.751 -0.750 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 90 0.319 -2.814 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.410 -0.402 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.776 -1.630 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.817 -3.149 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.879 -2.754 -4.975 1.00 0.00 H new ATOM 1392 N VAL A 91 2.154 -1.550 -2.583 1.00 0.00 N ATOM 1393 CA VAL A 91 3.263 -0.843 -1.964 1.00 0.00 C ATOM 1394 C VAL A 91 4.488 -0.927 -2.877 1.00 0.00 C ATOM 1395 O VAL A 91 4.987 -2.017 -3.154 1.00 0.00 O ATOM 1396 CB VAL A 91 3.522 -1.401 -0.563 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.762 -0.758 0.062 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.297 -1.218 0.335 1.00 0.00 C ATOM 0 H VAL A 91 2.269 -2.562 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 91 3.022 0.213 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 91 3.711 -2.470 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.924 -1.172 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.632 -0.963 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.615 0.319 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.508 -1.623 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.063 -0.157 0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.446 -1.744 -0.099 1.00 0.00 H new ATOM 1408 N ALA A 92 4.937 0.238 -3.319 1.00 0.00 N ATOM 1409 CA ALA A 92 6.094 0.311 -4.195 1.00 0.00 C ATOM 1410 C ALA A 92 7.194 1.127 -3.513 1.00 0.00 C ATOM 1411 O ALA A 92 6.930 1.857 -2.559 1.00 0.00 O ATOM 1412 CB ALA A 92 5.678 0.904 -5.543 1.00 0.00 C ATOM 0 H ALA A 92 4.520 1.140 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 92 6.493 -0.685 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.546 0.959 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.917 0.271 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.274 1.905 -5.391 1.00 0.00 H new ATOM 1418 N ALA A 93 8.405 0.975 -4.030 1.00 0.00 N ATOM 1419 CA ALA A 93 9.546 1.689 -3.483 1.00 0.00 C ATOM 1420 C ALA A 93 9.911 2.848 -4.412 1.00 0.00 C ATOM 1421 O ALA A 93 9.419 2.924 -5.537 1.00 0.00 O ATOM 1422 CB ALA A 93 10.709 0.715 -3.281 1.00 0.00 C ATOM 0 H ALA A 93 8.620 0.368 -4.821 1.00 0.00 H new ATOM 0 HA ALA A 93 9.302 2.112 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.565 1.251 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.408 -0.072 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.983 0.272 -4.238 1.00 0.00 H new ATOM 1428 N MET A 94 10.769 3.722 -3.908 1.00 0.00 N ATOM 1429 CA MET A 94 11.206 4.873 -4.679 1.00 0.00 C ATOM 1430 C MET A 94 12.692 5.154 -4.452 1.00 0.00 C ATOM 1431 O MET A 94 13.154 5.191 -3.312 1.00 0.00 O ATOM 1432 CB MET A 94 10.386 6.100 -4.273 1.00 0.00 C ATOM 1433 CG MET A 94 8.949 5.995 -4.788 1.00 0.00 C ATOM 1434 SD MET A 94 8.126 7.570 -4.628 1.00 0.00 S ATOM 1435 CE MET A 94 7.954 7.651 -2.853 1.00 0.00 C ATOM 0 H MET A 94 11.174 3.656 -2.974 1.00 0.00 H new ATOM 0 HA MET A 94 11.055 4.657 -5.737 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.381 6.195 -3.187 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.853 7.001 -4.670 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.950 5.681 -5.832 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.407 5.234 -4.226 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.978 8.065 -2.601 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.043 6.649 -2.433 1.00 0.00 H new ATOM 0 HE3 MET A 94 8.736 8.288 -2.440 1.00 0.00 H new ATOM 1445 N THR A 95 13.401 5.346 -5.555 1.00 0.00 N ATOM 1446 CA THR A 95 14.826 5.622 -5.490 1.00 0.00 C ATOM 1447 C THR A 95 15.135 6.979 -6.126 1.00 0.00 C ATOM 1448 O THR A 95 14.229 7.772 -6.376 1.00 0.00 O ATOM 1449 CB THR A 95 15.564 4.458 -6.154 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.636 3.961 -7.114 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.780 3.281 -5.200 1.00 0.00 C ATOM 0 H THR A 95 13.015 5.316 -6.499 1.00 0.00 H new ATOM 0 HA THR A 95 15.168 5.696 -4.458 1.00 0.00 H new ATOM 0 HB THR A 95 16.528 4.805 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.112 3.727 -7.938 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.308 2.482 -5.721 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.371 3.609 -4.345 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.815 2.912 -4.853 1.00 0.00 H new ATOM 1459 N SER A 96 16.418 7.205 -6.368 1.00 0.00 N ATOM 1460 CA SER A 96 16.858 8.452 -6.970 1.00 0.00 C ATOM 1461 C SER A 96 16.656 8.402 -8.485 1.00 0.00 C ATOM 1462 O SER A 96 17.058 9.320 -9.199 1.00 0.00 O ATOM 1463 CB SER A 96 18.324 8.736 -6.638 1.00 0.00 C ATOM 1464 OG SER A 96 18.544 8.838 -5.234 1.00 0.00 O ATOM 0 H SER A 96 17.167 6.545 -6.158 1.00 0.00 H new ATOM 0 HA SER A 96 16.257 9.262 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.948 7.941 -7.046 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.632 9.663 -7.121 1.00 0.00 H new ATOM 0 HG SER A 96 19.492 9.018 -5.064 1.00 0.00 H new ATOM 1470 N LYS A 97 16.035 7.320 -8.932 1.00 0.00 N ATOM 1471 CA LYS A 97 15.776 7.138 -10.350 1.00 0.00 C ATOM 1472 C LYS A 97 14.265 7.153 -10.594 1.00 0.00 C ATOM 1473 O LYS A 97 13.798 7.719 -11.581 1.00 0.00 O ATOM 1474 CB LYS A 97 16.469 5.875 -10.864 1.00 0.00 C ATOM 1475 CG LYS A 97 15.445 4.839 -11.333 1.00 0.00 C ATOM 1476 CD LYS A 97 14.855 5.227 -12.690 1.00 0.00 C ATOM 1477 CE LYS A 97 13.329 5.110 -12.678 1.00 0.00 C ATOM 1478 NZ LYS A 97 12.879 4.098 -13.659 1.00 0.00 N ATOM 0 H LYS A 97 15.704 6.561 -8.337 1.00 0.00 H new ATOM 0 HA LYS A 97 16.201 7.962 -10.923 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.135 6.131 -11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.088 5.448 -10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.919 3.860 -11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.646 4.753 -10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.143 6.249 -12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.267 4.583 -13.467 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.987 4.835 -11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.882 6.076 -12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.841 4.031 -13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.189 4.377 -14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.290 3.174 -13.418 1.00 0.00 H new ATOM 1492 N GLY A 98 13.544 6.524 -9.677 1.00 0.00 N ATOM 1493 CA GLY A 98 12.096 6.458 -9.780 1.00 0.00 C ATOM 1494 C GLY A 98 11.534 5.341 -8.898 1.00 0.00 C ATOM 1495 O GLY A 98 12.157 4.951 -7.912 1.00 0.00 O ATOM 0 H GLY A 98 13.935 6.056 -8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.663 7.413 -9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.809 6.286 -10.817 1.00 0.00 H new ATOM 1499 N GLN A 99 10.363 4.858 -9.285 1.00 0.00 N ATOM 1500 CA GLN A 99 9.710 3.794 -8.542 1.00 0.00 C ATOM 1501 C GLN A 99 9.950 2.446 -9.225 1.00 0.00 C ATOM 1502 O GLN A 99 10.005 2.368 -10.451 1.00 0.00 O ATOM 1503 CB GLN A 99 8.214 4.072 -8.387 1.00 0.00 C ATOM 1504 CG GLN A 99 7.548 3.015 -7.503 1.00 0.00 C ATOM 1505 CD GLN A 99 6.330 2.405 -8.199 1.00 0.00 C ATOM 1506 OE1 GLN A 99 5.168 2.733 -7.642 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 6.439 1.684 -9.177 1.00 0.00 N flip ATOM 0 H GLN A 99 9.849 5.184 -10.104 1.00 0.00 H new ATOM 0 HA GLN A 99 10.144 3.755 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.067 5.060 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.739 4.083 -9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.266 2.230 -7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.244 3.466 -6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.363 1.472 -9.554 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.606 1.293 -9.618 1.00 0.00 H new ATOM 1516 N GLY A 100 10.085 1.417 -8.401 1.00 0.00 N ATOM 1517 CA GLY A 100 10.317 0.076 -8.909 1.00 0.00 C ATOM 1518 C GLY A 100 9.052 -0.778 -8.802 1.00 0.00 C ATOM 1519 O GLY A 100 7.940 -0.253 -8.832 1.00 0.00 O ATOM 0 H GLY A 100 10.038 1.485 -7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.638 0.128 -9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.126 -0.394 -8.349 1.00 0.00 H new ATOM 1523 N GLN A 101 9.264 -2.080 -8.680 1.00 0.00 N ATOM 1524 CA GLN A 101 8.154 -3.012 -8.568 1.00 0.00 C ATOM 1525 C GLN A 101 7.178 -2.547 -7.485 1.00 0.00 C ATOM 1526 O GLN A 101 7.389 -1.511 -6.857 1.00 0.00 O ATOM 1527 CB GLN A 101 8.655 -4.429 -8.284 1.00 0.00 C ATOM 1528 CG GLN A 101 8.041 -5.434 -9.262 1.00 0.00 C ATOM 1529 CD GLN A 101 9.123 -6.301 -9.908 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.854 -5.875 -10.787 1.00 0.00 O ATOM 1531 NE2 GLN A 101 9.185 -7.538 -9.424 1.00 0.00 N ATOM 0 H GLN A 101 10.188 -2.512 -8.656 1.00 0.00 H new ATOM 0 HA GLN A 101 7.625 -3.034 -9.521 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.742 -4.457 -8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.402 -4.710 -7.262 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.327 -6.068 -8.737 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.486 -4.902 -10.035 1.00 0.00 H new ATOM 0 HE21 GLN A 101 8.543 -7.830 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.875 -8.195 -9.789 1.00 0.00 H new ATOM 1540 N VAL A 102 6.130 -3.337 -7.300 1.00 0.00 N ATOM 1541 CA VAL A 102 5.121 -3.020 -6.304 1.00 0.00 C ATOM 1542 C VAL A 102 4.560 -4.318 -5.721 1.00 0.00 C ATOM 1543 O VAL A 102 4.600 -5.362 -6.371 1.00 0.00 O ATOM 1544 CB VAL A 102 4.043 -2.125 -6.918 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.951 -2.962 -7.587 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.447 -1.185 -5.867 1.00 0.00 C ATOM 0 H VAL A 102 5.958 -4.196 -7.823 1.00 0.00 H new ATOM 0 HA VAL A 102 5.561 -2.458 -5.480 1.00 0.00 H new ATOM 0 HB VAL A 102 4.514 -1.513 -7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.197 -2.301 -8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.391 -3.570 -8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.485 -3.612 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.683 -0.560 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.999 -1.773 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.234 -0.553 -5.456 1.00 0.00 H new ATOM 1556 N SER A 103 4.050 -4.211 -4.503 1.00 0.00 N ATOM 1557 CA SER A 103 3.482 -5.364 -3.826 1.00 0.00 C ATOM 1558 C SER A 103 2.004 -5.114 -3.517 1.00 0.00 C ATOM 1559 O SER A 103 1.677 -4.410 -2.563 1.00 0.00 O ATOM 1560 CB SER A 103 4.247 -5.680 -2.539 1.00 0.00 C ATOM 1561 OG SER A 103 5.397 -6.484 -2.786 1.00 0.00 O ATOM 0 H SER A 103 4.018 -3.343 -3.967 1.00 0.00 H new ATOM 0 HA SER A 103 3.568 -6.225 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.551 -4.749 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.587 -6.196 -1.842 1.00 0.00 H new ATOM 0 HG SER A 103 5.859 -6.662 -1.940 1.00 0.00 H new ATOM 1567 N ALA A 104 1.152 -5.704 -4.342 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.283 -5.553 -4.169 1.00 0.00 C ATOM 1569 C ALA A 104 -0.825 -6.746 -3.379 1.00 0.00 C ATOM 1570 O ALA A 104 -0.746 -7.886 -3.836 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.950 -5.409 -5.538 1.00 0.00 C ATOM 0 H ALA A 104 1.427 -6.287 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.508 -4.651 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.026 -5.296 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.551 -4.531 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.748 -6.297 -6.136 1.00 0.00 H new ATOM 1577 N SER A 105 -1.363 -6.444 -2.206 1.00 0.00 N ATOM 1578 CA SER A 105 -1.918 -7.477 -1.349 1.00 0.00 C ATOM 1579 C SER A 105 -3.395 -7.191 -1.073 1.00 0.00 C ATOM 1580 O SER A 105 -3.753 -6.082 -0.678 1.00 0.00 O ATOM 1581 CB SER A 105 -1.142 -7.577 -0.034 1.00 0.00 C ATOM 1582 OG SER A 105 -0.171 -8.619 -0.065 1.00 0.00 O ATOM 0 H SER A 105 -1.426 -5.498 -1.829 1.00 0.00 H new ATOM 0 HA SER A 105 -1.830 -8.433 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.648 -6.627 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.839 -7.755 0.785 1.00 0.00 H new ATOM 0 HG SER A 105 -0.043 -8.974 0.839 1.00 0.00 H new ATOM 1588 N THR A 106 -4.213 -8.210 -1.292 1.00 0.00 N ATOM 1589 CA THR A 106 -5.644 -8.081 -1.072 1.00 0.00 C ATOM 1590 C THR A 106 -5.961 -8.143 0.423 1.00 0.00 C ATOM 1591 O THR A 106 -5.553 -9.078 1.110 1.00 0.00 O ATOM 1592 CB THR A 106 -6.347 -9.168 -1.888 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.441 -9.443 -2.953 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.604 -8.651 -2.591 1.00 0.00 C ATOM 0 H THR A 106 -3.913 -9.128 -1.619 1.00 0.00 H new ATOM 0 HA THR A 106 -6.011 -7.112 -1.410 1.00 0.00 H new ATOM 0 HB THR A 106 -6.613 -9.998 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.978 -10.289 -2.778 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.064 -9.462 -3.156 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.310 -8.280 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.334 -7.843 -3.271 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.686 -7.134 0.884 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.063 -7.062 2.285 1.00 0.00 C ATOM 1604 C ILE A 107 -8.539 -6.673 2.393 1.00 0.00 C ATOM 1605 O ILE A 107 -8.986 -5.733 1.738 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.123 -6.124 3.045 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.495 -6.058 4.528 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.092 -4.738 2.399 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.006 -7.302 5.272 1.00 0.00 C ATOM 0 H ILE A 107 -7.022 -6.360 0.312 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.955 -8.038 2.759 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.113 -6.530 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.058 -5.166 4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.576 -5.970 4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.417 -4.091 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.743 -4.824 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.094 -4.310 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -6.283 -7.230 6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -6.464 -8.190 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -4.922 -7.374 5.187 1.00 0.00 H new ATOM 1621 N SER A 108 -9.255 -7.417 3.224 1.00 0.00 N ATOM 1622 CA SER A 108 -10.671 -7.162 3.425 1.00 0.00 C ATOM 1623 C SER A 108 -10.894 -6.493 4.784 1.00 0.00 C ATOM 1624 O SER A 108 -10.584 -7.074 5.823 1.00 0.00 O ATOM 1625 CB SER A 108 -11.483 -8.455 3.331 1.00 0.00 C ATOM 1626 OG SER A 108 -12.885 -8.212 3.402 1.00 0.00 O ATOM 0 H SER A 108 -8.881 -8.196 3.766 1.00 0.00 H new ATOM 0 HA SER A 108 -11.013 -6.492 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.250 -8.962 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.190 -9.126 4.138 1.00 0.00 H new ATOM 0 HG SER A 108 -13.368 -9.062 3.337 1.00 0.00 H new ATOM 1632 N SER A 109 -11.429 -5.283 4.731 1.00 0.00 N ATOM 1633 CA SER A 109 -11.698 -4.530 5.944 1.00 0.00 C ATOM 1634 C SER A 109 -12.167 -5.473 7.053 1.00 0.00 C ATOM 1635 O SER A 109 -12.744 -6.524 6.776 1.00 0.00 O ATOM 1636 CB SER A 109 -12.743 -3.440 5.697 1.00 0.00 C ATOM 1637 OG SER A 109 -13.955 -3.974 5.171 1.00 0.00 O ATOM 0 H SER A 109 -11.684 -4.805 3.867 1.00 0.00 H new ATOM 0 HA SER A 109 -10.773 -4.044 6.256 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.951 -2.919 6.631 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.340 -2.702 5.003 1.00 0.00 H new ATOM 0 HG SER A 109 -14.260 -3.418 4.424 1.00 0.00 H new ATOM 1643 N GLY A 110 -11.901 -5.065 8.285 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.289 -5.861 9.437 1.00 0.00 C ATOM 1645 C GLY A 110 -13.810 -6.013 9.512 1.00 0.00 C ATOM 1646 O GLY A 110 -14.378 -6.920 8.906 1.00 0.00 O ATOM 0 H GLY A 110 -11.421 -4.194 8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.824 -6.845 9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.922 -5.390 10.349 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.426 -5.110 10.261 1.00 0.00 N ATOM 1651 CA VAL A 111 -15.870 -5.132 10.423 1.00 0.00 C ATOM 1652 C VAL A 111 -16.309 -3.894 11.208 1.00 0.00 C ATOM 1653 O VAL A 111 -15.620 -3.463 12.131 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.303 -6.443 11.083 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.611 -6.631 12.435 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -17.824 -6.505 11.231 1.00 0.00 C ATOM 0 H VAL A 111 -13.952 -4.359 10.762 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.364 -5.094 9.452 1.00 0.00 H new ATOM 0 HB VAL A 111 -15.996 -7.263 10.434 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -15.936 -7.570 12.883 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.531 -6.653 12.291 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.872 -5.804 13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.106 -7.446 11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.164 -5.674 11.849 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.288 -6.439 10.247 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.485 -3.343 10.802 1.00 0.00 N ATOM 1667 CA PRO A 112 -18.024 -2.164 11.457 1.00 0.00 C ATOM 1668 C PRO A 112 -18.622 -2.519 12.820 1.00 0.00 C ATOM 1669 O PRO A 112 -19.466 -3.408 12.920 1.00 0.00 O ATOM 1670 CB PRO A 112 -19.052 -1.609 10.484 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.384 -2.749 9.534 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.328 -3.827 9.713 1.00 0.00 C ATOM 0 HA PRO A 112 -17.260 -1.419 11.677 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.943 -1.267 11.010 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.653 -0.752 9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.376 -3.147 9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.398 -2.395 8.503 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.781 -4.788 9.959 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.751 -3.972 8.800 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.147 -1.786 13.864 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.625 -2.015 15.217 1.00 0.00 C ATOM 1682 C PRO A 113 -20.030 -1.439 15.406 1.00 0.00 C ATOM 1683 O PRO A 113 -20.520 -0.694 14.559 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.589 -1.361 16.116 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.819 -0.394 15.230 1.00 0.00 C ATOM 1686 CD PRO A 113 -17.147 -0.726 13.783 1.00 0.00 C ATOM 0 HA PRO A 113 -18.727 -3.074 15.454 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -18.066 -0.837 16.944 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.923 -2.106 16.551 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.096 0.635 15.458 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.747 -0.483 15.409 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.535 0.145 13.255 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.261 -1.058 13.242 1.00 0.00 H new