USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 866 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 103 ASN : amide:sc= -0.0527 K(o=-0.27,f=-3.4!) USER MOD Set 1.2: A 113 HIS : no HD1:sc= -0.212 K(o=-0.27,f=-5) USER MOD Set 2.1: A 68 TYR OH : rot 120:sc= 0 USER MOD Set 2.2: A 83 MET CE :methyl 163:sc= -0.164 (180deg=-0.372) USER MOD Set 3.1: A 82 SER OG : rot 180:sc= -0.886 USER MOD Set 3.2: B1141 ASN : amide:sc= -2.11 K(o=-3,f=-3.6!) USER MOD Set 4.1: A 29 SER OG : rot -84:sc= 0.741 USER MOD Set 4.2: A 67 HIS : no HD1:sc= -2.6 K(o=-1.9,f=-5.7!) USER MOD Set 5.1: A 61 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-8.7!) USER MOD Set 5.2: A 66 LYS NZ :NH3+ 165:sc= 0.00596 (180deg=0) USER MOD Set 6.1: A 48 SER OG : rot 110:sc= 0.624 USER MOD Set 6.2: A 51 ASN : amide:sc= 0 X(o=0.62,f=0.62) USER MOD Set 7.1: A 35 GLN : amide:sc= 0.414 K(o=1.4,f=0.12) USER MOD Set 7.2: A 36 GLN : amide:sc= 1.02 K(o=1.4,f=0.12) USER MOD Single : A 21 HIS : no HD1:sc= 0.297 K(o=0.3,f=-3.1!) USER MOD Single : A 25 SER OG : rot -29:sc= 0.528 USER MOD Single : A 30 GLN : amide:sc= 0.565 K(o=0.56,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.635 X(o=-0.63,f=-0.49) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 58 SER OG : rot -7:sc= 0.801 USER MOD Single : A 60 CYS SG : rot -54:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 160:sc= 1.25 USER MOD Single : A 87 GLN : amide:sc= 0.837 K(o=0.84,f=-4.6!) USER MOD Single : A 88 THR OG1 : rot 170:sc= 0.0498 USER MOD Single : A 91 THR OG1 : rot 180:sc=-0.00308 USER MOD Single : A 95 GLN : amide:sc= 0.711 K(o=0.71,f=-0.00022) USER MOD Single : A 100 HIS : no HE2:sc= 0.719 K(o=0.72,f=-2.7!) USER MOD Single : A 101 GLN : amide:sc= 1.15 K(o=1.2,f=-0.0056) USER MOD Single : A 109 CYS SG : rot -150:sc= -0.102 USER MOD Single : A 114 CYS SG : rot 180:sc= -0.327 USER MOD Single : A 115 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : B1142 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 248 N TRP A 19 4.386 4.672 9.279 1.00 0.00 N ATOM 249 CA TRP A 19 4.082 3.568 8.358 1.00 0.00 C ATOM 250 C TRP A 19 4.410 3.902 6.888 1.00 0.00 C ATOM 251 O TRP A 19 4.084 3.122 5.992 1.00 0.00 O ATOM 252 CB TRP A 19 2.612 3.155 8.569 1.00 0.00 C ATOM 253 CG TRP A 19 2.251 1.763 8.147 1.00 0.00 C ATOM 254 CD1 TRP A 19 1.288 1.427 7.259 1.00 0.00 C ATOM 255 CD2 TRP A 19 2.829 0.503 8.607 1.00 0.00 C ATOM 256 NE1 TRP A 19 1.228 0.051 7.136 1.00 0.00 N ATOM 257 CE2 TRP A 19 2.171 -0.566 7.928 1.00 0.00 C ATOM 258 CE3 TRP A 19 3.837 0.157 9.532 1.00 0.00 C ATOM 259 CZ2 TRP A 19 2.525 -1.908 8.127 1.00 0.00 C ATOM 260 CZ3 TRP A 19 4.200 -1.188 9.739 1.00 0.00 C ATOM 261 CH2 TRP A 19 3.558 -2.218 9.029 1.00 0.00 C ATOM 0 HA TRP A 19 4.729 2.721 8.587 1.00 0.00 H new ATOM 0 HB2 TRP A 19 2.373 3.266 9.627 1.00 0.00 H new ATOM 0 HB3 TRP A 19 1.978 3.854 8.024 1.00 0.00 H new ATOM 0 HD1 TRP A 19 0.661 2.127 6.727 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.569 -0.444 6.535 1.00 0.00 H new ATOM 0 HE3 TRP A 19 4.337 0.935 10.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 2.011 -2.694 7.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.977 -1.430 10.449 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.858 -3.245 9.176 1.00 0.00 H new ATOM 272 N PHE A 20 5.055 5.051 6.632 1.00 0.00 N ATOM 273 CA PHE A 20 5.340 5.571 5.292 1.00 0.00 C ATOM 274 C PHE A 20 6.835 5.714 4.953 1.00 0.00 C ATOM 275 O PHE A 20 7.654 6.155 5.766 1.00 0.00 O ATOM 276 CB PHE A 20 4.584 6.895 5.113 1.00 0.00 C ATOM 277 CG PHE A 20 4.788 7.567 3.769 1.00 0.00 C ATOM 278 CD1 PHE A 20 4.004 7.193 2.661 1.00 0.00 C ATOM 279 CD2 PHE A 20 5.767 8.571 3.624 1.00 0.00 C ATOM 280 CE1 PHE A 20 4.194 7.821 1.416 1.00 0.00 C ATOM 281 CE2 PHE A 20 5.959 9.198 2.381 1.00 0.00 C ATOM 282 CZ PHE A 20 5.170 8.825 1.278 1.00 0.00 C ATOM 0 H PHE A 20 5.401 5.659 7.375 1.00 0.00 H new ATOM 0 HA PHE A 20 4.988 4.827 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.519 6.711 5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.895 7.584 5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.255 6.422 2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.372 8.859 4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.591 7.533 0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.711 9.965 2.273 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.314 9.310 0.324 1.00 0.00 H new ATOM 292 N HIS A 21 7.170 5.325 3.720 1.00 0.00 N ATOM 293 CA HIS A 21 8.476 5.432 3.045 1.00 0.00 C ATOM 294 C HIS A 21 8.236 5.784 1.560 1.00 0.00 C ATOM 295 O HIS A 21 7.075 5.877 1.159 1.00 0.00 O ATOM 296 CB HIS A 21 9.203 4.078 3.185 1.00 0.00 C ATOM 297 CG HIS A 21 10.704 4.207 3.305 1.00 0.00 C ATOM 298 ND1 HIS A 21 11.541 4.896 2.419 1.00 0.00 N ATOM 299 CD2 HIS A 21 11.467 3.667 4.300 1.00 0.00 C ATOM 300 CE1 HIS A 21 12.787 4.749 2.899 1.00 0.00 C ATOM 301 NE2 HIS A 21 12.773 4.015 4.026 1.00 0.00 N ATOM 0 H HIS A 21 6.477 4.889 3.112 1.00 0.00 H new ATOM 0 HA HIS A 21 9.092 6.213 3.491 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.820 3.559 4.063 1.00 0.00 H new ATOM 0 HB3 HIS A 21 8.968 3.458 2.320 1.00 0.00 H new ATOM 0 HD2 HIS A 21 11.117 3.082 5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 21 13.675 5.162 2.444 1.00 0.00 H new ATOM 0 HE2 HIS A 21 13.589 3.760 4.583 1.00 0.00 H new ATOM 309 N GLY A 22 9.250 5.987 0.707 1.00 0.00 N ATOM 310 CA GLY A 22 9.021 6.176 -0.718 1.00 0.00 C ATOM 311 C GLY A 22 9.743 5.128 -1.581 1.00 0.00 C ATOM 312 O GLY A 22 9.580 3.939 -1.298 1.00 0.00 O ATOM 0 H GLY A 22 10.231 6.023 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.951 6.130 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.357 7.172 -1.007 1.00 0.00 H new ATOM 316 N ARG A 23 10.498 5.513 -2.629 1.00 0.00 N ATOM 317 CA ARG A 23 11.064 4.514 -3.568 1.00 0.00 C ATOM 318 C ARG A 23 11.834 3.349 -2.926 1.00 0.00 C ATOM 319 O ARG A 23 12.852 3.499 -2.253 1.00 0.00 O ATOM 320 CB ARG A 23 11.898 5.107 -4.716 1.00 0.00 C ATOM 321 CG ARG A 23 12.110 4.076 -5.854 1.00 0.00 C ATOM 322 CD ARG A 23 13.074 4.540 -6.956 1.00 0.00 C ATOM 323 NE ARG A 23 14.438 4.797 -6.436 1.00 0.00 N ATOM 324 CZ ARG A 23 15.378 3.915 -6.133 1.00 0.00 C ATOM 325 NH1 ARG A 23 15.215 2.630 -6.288 1.00 0.00 N ATOM 326 NH2 ARG A 23 16.520 4.315 -5.658 1.00 0.00 N ATOM 0 H ARG A 23 10.728 6.483 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 23 10.149 4.098 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.398 5.990 -5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.865 5.433 -4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.489 3.149 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.145 3.847 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.122 3.781 -7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.686 5.448 -7.417 1.00 0.00 H new ATOM 0 HE ARG A 23 14.683 5.777 -6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.335 2.268 -6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.967 1.987 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.694 5.310 -5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.242 3.634 -5.425 1.00 0.00 H new ATOM 340 N ILE A 24 11.312 2.182 -3.272 1.00 0.00 N ATOM 341 CA ILE A 24 11.773 0.813 -3.022 1.00 0.00 C ATOM 342 C ILE A 24 11.098 0.109 -4.204 1.00 0.00 C ATOM 343 O ILE A 24 10.042 -0.509 -4.091 1.00 0.00 O ATOM 344 CB ILE A 24 11.459 0.324 -1.587 1.00 0.00 C ATOM 345 CG1 ILE A 24 12.091 -1.063 -1.351 1.00 0.00 C ATOM 346 CG2 ILE A 24 9.972 0.351 -1.203 1.00 0.00 C ATOM 347 CD1 ILE A 24 12.072 -1.503 0.118 1.00 0.00 C ATOM 0 H ILE A 24 10.442 2.165 -3.804 1.00 0.00 H new ATOM 0 HA ILE A 24 12.848 0.635 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 24 11.915 1.050 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.559 -1.802 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.122 -1.048 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.854 -0.009 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.596 1.372 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.409 -0.291 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.532 -2.487 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.629 -0.785 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.042 -1.550 0.470 1.00 0.00 H new ATOM 359 N SER A 25 11.739 0.287 -5.366 1.00 0.00 N ATOM 360 CA SER A 25 11.291 -0.091 -6.712 1.00 0.00 C ATOM 361 C SER A 25 10.402 -1.330 -6.773 1.00 0.00 C ATOM 362 O SER A 25 10.779 -2.432 -6.374 1.00 0.00 O ATOM 363 CB SER A 25 12.526 -0.282 -7.596 1.00 0.00 C ATOM 364 OG SER A 25 13.284 0.917 -7.661 1.00 0.00 O ATOM 0 H SER A 25 12.656 0.734 -5.391 1.00 0.00 H new ATOM 0 HA SER A 25 10.658 0.721 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.143 -1.088 -7.199 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.220 -0.580 -8.599 1.00 0.00 H new ATOM 0 HG SER A 25 12.688 1.687 -7.551 1.00 0.00 H new ATOM 370 N ARG A 26 9.194 -1.137 -7.305 1.00 0.00 N ATOM 371 CA ARG A 26 8.105 -2.120 -7.377 1.00 0.00 C ATOM 372 C ARG A 26 8.476 -3.398 -8.155 1.00 0.00 C ATOM 373 O ARG A 26 7.941 -4.465 -7.867 1.00 0.00 O ATOM 374 CB ARG A 26 6.810 -1.385 -7.821 1.00 0.00 C ATOM 375 CG ARG A 26 6.495 -1.385 -9.330 1.00 0.00 C ATOM 376 CD ARG A 26 7.511 -0.613 -10.177 1.00 0.00 C ATOM 377 NE ARG A 26 7.075 -0.369 -11.568 1.00 0.00 N ATOM 378 CZ ARG A 26 7.860 -0.212 -12.621 1.00 0.00 C ATOM 379 NH1 ARG A 26 9.141 -0.445 -12.575 1.00 0.00 N ATOM 380 NH2 ARG A 26 7.385 0.180 -13.765 1.00 0.00 N ATOM 0 H ARG A 26 8.932 -0.243 -7.721 1.00 0.00 H new ATOM 0 HA ARG A 26 7.907 -2.537 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.967 -1.836 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.875 -0.349 -7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.452 -2.416 -9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.506 -0.954 -9.485 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.714 0.345 -9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.450 -1.167 -10.194 1.00 0.00 H new ATOM 0 HE ARG A 26 6.070 -0.317 -11.732 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.571 -0.760 -11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.714 -0.312 -13.409 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.388 0.373 -13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.009 0.294 -14.564 1.00 0.00 H new ATOM 394 N GLU A 27 9.446 -3.304 -9.070 1.00 0.00 N ATOM 395 CA GLU A 27 10.012 -4.432 -9.822 1.00 0.00 C ATOM 396 C GLU A 27 11.071 -5.217 -9.017 1.00 0.00 C ATOM 397 O GLU A 27 11.129 -6.442 -9.102 1.00 0.00 O ATOM 398 CB GLU A 27 10.540 -3.977 -11.207 1.00 0.00 C ATOM 399 CG GLU A 27 11.857 -3.161 -11.292 1.00 0.00 C ATOM 400 CD GLU A 27 11.718 -1.658 -10.999 1.00 0.00 C ATOM 401 OE1 GLU A 27 10.709 -1.248 -10.385 1.00 0.00 O ATOM 402 OE2 GLU A 27 12.582 -0.839 -11.390 1.00 0.00 O ATOM 0 H GLU A 27 9.874 -2.412 -9.317 1.00 0.00 H new ATOM 0 HA GLU A 27 9.198 -5.135 -10.000 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.670 -4.871 -11.817 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.756 -3.382 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.575 -3.586 -10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.277 -3.283 -12.291 1.00 0.00 H new ATOM 409 N GLU A 28 11.918 -4.519 -8.248 1.00 0.00 N ATOM 410 CA GLU A 28 13.014 -5.099 -7.452 1.00 0.00 C ATOM 411 C GLU A 28 12.560 -5.669 -6.099 1.00 0.00 C ATOM 412 O GLU A 28 13.006 -6.737 -5.685 1.00 0.00 O ATOM 413 CB GLU A 28 14.117 -4.040 -7.280 1.00 0.00 C ATOM 414 CG GLU A 28 15.397 -4.609 -6.655 1.00 0.00 C ATOM 415 CD GLU A 28 16.514 -3.549 -6.628 1.00 0.00 C ATOM 416 OE1 GLU A 28 16.558 -2.729 -5.677 1.00 0.00 O ATOM 417 OE2 GLU A 28 17.362 -3.531 -7.555 1.00 0.00 O ATOM 0 H GLU A 28 11.860 -3.505 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 28 13.404 -5.958 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.354 -3.608 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.742 -3.230 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.190 -4.951 -5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.729 -5.478 -7.223 1.00 0.00 H new ATOM 424 N SER A 29 11.653 -4.971 -5.408 1.00 0.00 N ATOM 425 CA SER A 29 11.179 -5.302 -4.048 1.00 0.00 C ATOM 426 C SER A 29 10.607 -6.715 -3.921 1.00 0.00 C ATOM 427 O SER A 29 10.821 -7.378 -2.910 1.00 0.00 O ATOM 428 CB SER A 29 10.143 -4.265 -3.586 1.00 0.00 C ATOM 429 OG SER A 29 9.187 -4.020 -4.600 1.00 0.00 O ATOM 0 H SER A 29 11.211 -4.133 -5.786 1.00 0.00 H new ATOM 0 HA SER A 29 12.056 -5.272 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.642 -4.622 -2.686 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.646 -3.335 -3.323 1.00 0.00 H new ATOM 0 HG SER A 29 9.540 -3.356 -5.229 1.00 0.00 H new ATOM 435 N GLN A 30 9.978 -7.238 -4.977 1.00 0.00 N ATOM 436 CA GLN A 30 9.476 -8.621 -5.030 1.00 0.00 C ATOM 437 C GLN A 30 10.571 -9.707 -4.955 1.00 0.00 C ATOM 438 O GLN A 30 10.260 -10.855 -4.633 1.00 0.00 O ATOM 439 CB GLN A 30 8.439 -8.834 -6.157 1.00 0.00 C ATOM 440 CG GLN A 30 8.639 -8.020 -7.446 1.00 0.00 C ATOM 441 CD GLN A 30 7.485 -8.198 -8.434 1.00 0.00 C ATOM 442 OE1 GLN A 30 7.661 -8.663 -9.553 1.00 0.00 O ATOM 443 NE2 GLN A 30 6.267 -7.833 -8.091 1.00 0.00 N ATOM 0 H GLN A 30 9.799 -6.710 -5.831 1.00 0.00 H new ATOM 0 HA GLN A 30 8.928 -8.763 -4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.436 -9.892 -6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.451 -8.602 -5.758 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.738 -6.964 -7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.571 -8.323 -7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.093 -7.443 -7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.497 -7.941 -8.752 1.00 0.00 H new ATOM 452 N ARG A 31 11.850 -9.364 -5.172 1.00 0.00 N ATOM 453 CA ARG A 31 12.993 -10.282 -5.004 1.00 0.00 C ATOM 454 C ARG A 31 13.417 -10.414 -3.527 1.00 0.00 C ATOM 455 O ARG A 31 13.929 -11.457 -3.127 1.00 0.00 O ATOM 456 CB ARG A 31 14.141 -9.803 -5.916 1.00 0.00 C ATOM 457 CG ARG A 31 15.303 -10.805 -6.022 1.00 0.00 C ATOM 458 CD ARG A 31 16.425 -10.291 -6.935 1.00 0.00 C ATOM 459 NE ARG A 31 16.005 -10.206 -8.350 1.00 0.00 N ATOM 460 CZ ARG A 31 16.694 -9.676 -9.345 1.00 0.00 C ATOM 461 NH1 ARG A 31 17.873 -9.146 -9.164 1.00 0.00 N ATOM 462 NH2 ARG A 31 16.208 -9.668 -10.553 1.00 0.00 N ATOM 0 H ARG A 31 12.126 -8.429 -5.473 1.00 0.00 H new ATOM 0 HA ARG A 31 12.702 -11.289 -5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 31 13.745 -9.611 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.523 -8.855 -5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.705 -11.000 -5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.929 -11.754 -6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.745 -9.306 -6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 31 17.288 -10.952 -6.854 1.00 0.00 H new ATOM 0 HE ARG A 31 15.091 -10.596 -8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.289 -9.133 -8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.379 -8.745 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.290 -10.073 -10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.746 -9.257 -11.316 1.00 0.00 H new ATOM 476 N LEU A 32 13.187 -9.367 -2.718 1.00 0.00 N ATOM 477 CA LEU A 32 13.615 -9.262 -1.309 1.00 0.00 C ATOM 478 C LEU A 32 12.446 -9.454 -0.318 1.00 0.00 C ATOM 479 O LEU A 32 12.469 -10.359 0.512 1.00 0.00 O ATOM 480 CB LEU A 32 14.311 -7.902 -1.075 1.00 0.00 C ATOM 481 CG LEU A 32 15.768 -7.769 -1.571 1.00 0.00 C ATOM 482 CD1 LEU A 32 15.907 -7.816 -3.094 1.00 0.00 C ATOM 483 CD2 LEU A 32 16.331 -6.427 -1.100 1.00 0.00 C ATOM 0 H LEU A 32 12.681 -8.541 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 32 14.320 -10.071 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.716 -7.128 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.296 -7.693 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 32 16.310 -8.621 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.958 -7.717 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.524 -8.767 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.338 -6.998 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.360 -6.323 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.728 -5.616 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.307 -6.385 -0.011 1.00 0.00 H new ATOM 495 N ILE A 33 11.415 -8.606 -0.413 1.00 0.00 N ATOM 496 CA ILE A 33 10.199 -8.600 0.435 1.00 0.00 C ATOM 497 C ILE A 33 9.169 -9.652 -0.038 1.00 0.00 C ATOM 498 O ILE A 33 8.206 -9.961 0.658 1.00 0.00 O ATOM 499 CB ILE A 33 9.659 -7.142 0.531 1.00 0.00 C ATOM 500 CG1 ILE A 33 10.761 -6.147 0.997 1.00 0.00 C ATOM 501 CG2 ILE A 33 8.508 -6.999 1.542 1.00 0.00 C ATOM 502 CD1 ILE A 33 11.394 -5.334 -0.140 1.00 0.00 C ATOM 0 H ILE A 33 11.397 -7.866 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 33 10.439 -8.913 1.451 1.00 0.00 H new ATOM 0 HB ILE A 33 9.313 -6.913 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.330 -5.459 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.545 -6.704 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.172 -5.962 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.680 -7.642 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.856 -7.291 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.151 -4.665 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.857 -6.011 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.624 -4.747 -0.640 1.00 0.00 H new ATOM 514 N GLY A 34 9.413 -10.316 -1.175 1.00 0.00 N ATOM 515 CA GLY A 34 8.462 -11.262 -1.773 1.00 0.00 C ATOM 516 C GLY A 34 8.726 -12.728 -1.423 1.00 0.00 C ATOM 517 O GLY A 34 8.048 -13.607 -1.954 1.00 0.00 O ATOM 0 H GLY A 34 10.277 -10.212 -1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.455 -10.999 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.488 -11.149 -2.857 1.00 0.00 H new ATOM 521 N GLN A 35 9.676 -12.998 -0.515 1.00 0.00 N ATOM 522 CA GLN A 35 9.924 -14.353 0.002 1.00 0.00 C ATOM 523 C GLN A 35 8.964 -14.659 1.174 1.00 0.00 C ATOM 524 O GLN A 35 8.895 -15.794 1.648 1.00 0.00 O ATOM 525 CB GLN A 35 11.419 -14.572 0.306 1.00 0.00 C ATOM 526 CG GLN A 35 12.032 -13.741 1.449 1.00 0.00 C ATOM 527 CD GLN A 35 11.654 -14.233 2.846 1.00 0.00 C ATOM 528 OE1 GLN A 35 10.828 -13.641 3.526 1.00 0.00 O ATOM 529 NE2 GLN A 35 12.232 -15.313 3.325 1.00 0.00 N ATOM 0 H GLN A 35 10.291 -12.287 -0.120 1.00 0.00 H new ATOM 0 HA GLN A 35 9.695 -15.092 -0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.566 -15.627 0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.983 -14.364 -0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.118 -13.753 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.714 -12.704 1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.922 -15.813 2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.990 -15.650 4.257 1.00 0.00 H new ATOM 538 N GLN A 36 8.210 -13.641 1.627 1.00 0.00 N ATOM 539 CA GLN A 36 7.171 -13.751 2.642 1.00 0.00 C ATOM 540 C GLN A 36 5.941 -14.496 2.074 1.00 0.00 C ATOM 541 O GLN A 36 5.580 -14.304 0.911 1.00 0.00 O ATOM 542 CB GLN A 36 6.798 -12.356 3.184 1.00 0.00 C ATOM 543 CG GLN A 36 7.788 -11.826 4.236 1.00 0.00 C ATOM 544 CD GLN A 36 8.663 -10.670 3.780 1.00 0.00 C ATOM 545 OE1 GLN A 36 8.319 -9.502 3.877 1.00 0.00 O ATOM 546 NE2 GLN A 36 9.869 -10.974 3.358 1.00 0.00 N ATOM 0 H GLN A 36 8.319 -12.689 1.278 1.00 0.00 H new ATOM 0 HA GLN A 36 7.552 -14.336 3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.750 -11.652 2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.801 -12.399 3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.225 -11.510 5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.433 -12.647 4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.150 -11.951 3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.524 -10.233 3.109 1.00 0.00 H new ATOM 555 N GLY A 37 5.287 -15.330 2.894 1.00 0.00 N ATOM 556 CA GLY A 37 4.166 -16.201 2.488 1.00 0.00 C ATOM 557 C GLY A 37 2.872 -16.038 3.299 1.00 0.00 C ATOM 558 O GLY A 37 2.129 -17.012 3.459 1.00 0.00 O ATOM 0 H GLY A 37 5.525 -15.423 3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.942 -16.010 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.491 -17.239 2.561 1.00 0.00 H new ATOM 562 N LEU A 38 2.622 -14.852 3.864 1.00 0.00 N ATOM 563 CA LEU A 38 1.448 -14.565 4.702 1.00 0.00 C ATOM 564 C LEU A 38 0.179 -14.276 3.860 1.00 0.00 C ATOM 565 O LEU A 38 0.213 -14.307 2.627 1.00 0.00 O ATOM 566 CB LEU A 38 1.790 -13.404 5.667 1.00 0.00 C ATOM 567 CG LEU A 38 2.841 -13.643 6.777 1.00 0.00 C ATOM 568 CD1 LEU A 38 2.568 -14.910 7.588 1.00 0.00 C ATOM 569 CD2 LEU A 38 4.285 -13.684 6.273 1.00 0.00 C ATOM 0 H LEU A 38 3.240 -14.048 3.751 1.00 0.00 H new ATOM 0 HA LEU A 38 1.208 -15.452 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.132 -12.563 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.864 -13.093 6.151 1.00 0.00 H new ATOM 0 HG LEU A 38 2.734 -12.770 7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.337 -15.026 8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.591 -14.833 8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.581 -15.776 6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.959 -13.855 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.395 -14.491 5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.532 -12.735 5.798 1.00 0.00 H new ATOM 581 N VAL A 39 -0.957 -14.009 4.529 1.00 0.00 N ATOM 582 CA VAL A 39 -2.218 -13.600 3.866 1.00 0.00 C ATOM 583 C VAL A 39 -2.030 -12.349 3.026 1.00 0.00 C ATOM 584 O VAL A 39 -1.236 -11.478 3.380 1.00 0.00 O ATOM 585 CB VAL A 39 -3.416 -13.471 4.830 1.00 0.00 C ATOM 586 CG1 VAL A 39 -3.761 -14.829 5.450 1.00 0.00 C ATOM 587 CG2 VAL A 39 -3.222 -12.448 5.953 1.00 0.00 C ATOM 0 H VAL A 39 -1.031 -14.069 5.544 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.475 -14.418 3.194 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.235 -13.106 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.608 -14.715 6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.019 -15.535 4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.901 -15.204 6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.112 -12.424 6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.359 -12.730 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.056 -11.461 5.521 1.00 0.00 H new ATOM 597 N ASP A 40 -2.821 -12.246 1.950 1.00 0.00 N ATOM 598 CA ASP A 40 -2.787 -11.212 0.900 1.00 0.00 C ATOM 599 C ASP A 40 -2.894 -9.747 1.333 1.00 0.00 C ATOM 600 O ASP A 40 -2.893 -8.824 0.517 1.00 0.00 O ATOM 601 CB ASP A 40 -3.822 -11.546 -0.172 1.00 0.00 C ATOM 602 CG ASP A 40 -3.628 -12.973 -0.686 1.00 0.00 C ATOM 603 OD1 ASP A 40 -4.234 -13.897 -0.094 1.00 0.00 O ATOM 604 OD2 ASP A 40 -2.842 -13.145 -1.644 1.00 0.00 O ATOM 0 H ASP A 40 -3.556 -12.932 1.775 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.769 -11.260 0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.826 -11.435 0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.736 -10.842 -0.999 1.00 0.00 H new ATOM 609 N GLY A 41 -2.963 -9.557 2.637 1.00 0.00 N ATOM 610 CA GLY A 41 -3.084 -8.293 3.339 1.00 0.00 C ATOM 611 C GLY A 41 -1.899 -7.864 4.197 1.00 0.00 C ATOM 612 O GLY A 41 -2.038 -6.891 4.931 1.00 0.00 O ATOM 0 H GLY A 41 -2.934 -10.345 3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.269 -7.512 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.965 -8.343 3.978 1.00 0.00 H new ATOM 616 N LEU A 42 -0.702 -8.439 4.060 1.00 0.00 N ATOM 617 CA LEU A 42 0.450 -8.060 4.906 1.00 0.00 C ATOM 618 C LEU A 42 1.198 -6.989 4.107 1.00 0.00 C ATOM 619 O LEU A 42 2.286 -7.170 3.569 1.00 0.00 O ATOM 620 CB LEU A 42 1.302 -9.309 5.251 1.00 0.00 C ATOM 621 CG LEU A 42 0.999 -9.976 6.601 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.378 -9.093 7.783 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.455 -10.410 6.723 1.00 0.00 C ATOM 0 H LEU A 42 -0.498 -9.167 3.376 1.00 0.00 H new ATOM 0 HA LEU A 42 0.162 -7.656 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.163 -10.049 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.354 -9.023 5.237 1.00 0.00 H new ATOM 0 HG LEU A 42 1.623 -10.869 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.144 -9.610 8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.446 -8.876 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.816 -8.160 7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.615 -10.875 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.104 -9.540 6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.688 -11.126 5.935 1.00 0.00 H new ATOM 635 N PHE A 43 0.543 -5.835 4.051 1.00 0.00 N ATOM 636 CA PHE A 43 0.925 -4.681 3.251 1.00 0.00 C ATOM 637 C PHE A 43 1.673 -3.540 3.976 1.00 0.00 C ATOM 638 O PHE A 43 1.826 -3.541 5.200 1.00 0.00 O ATOM 639 CB PHE A 43 -0.390 -4.162 2.640 1.00 0.00 C ATOM 640 CG PHE A 43 -1.083 -3.067 3.445 1.00 0.00 C ATOM 641 CD1 PHE A 43 -1.519 -3.321 4.760 1.00 0.00 C ATOM 642 CD2 PHE A 43 -1.237 -1.773 2.910 1.00 0.00 C ATOM 643 CE1 PHE A 43 -2.119 -2.305 5.524 1.00 0.00 C ATOM 644 CE2 PHE A 43 -1.874 -0.769 3.660 1.00 0.00 C ATOM 645 CZ PHE A 43 -2.307 -1.032 4.966 1.00 0.00 C ATOM 0 H PHE A 43 -0.309 -5.673 4.588 1.00 0.00 H new ATOM 0 HA PHE A 43 1.665 -5.012 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.184 -3.782 1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.077 -5.000 2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.391 -4.305 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.865 -1.552 1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.434 -2.504 6.538 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.030 0.208 3.228 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.786 -0.255 5.543 1.00 0.00 H new ATOM 655 N LEU A 44 2.112 -2.554 3.184 1.00 0.00 N ATOM 656 CA LEU A 44 2.746 -1.282 3.574 1.00 0.00 C ATOM 657 C LEU A 44 2.214 -0.151 2.659 1.00 0.00 C ATOM 658 O LEU A 44 1.678 -0.432 1.576 1.00 0.00 O ATOM 659 CB LEU A 44 4.286 -1.435 3.497 1.00 0.00 C ATOM 660 CG LEU A 44 5.152 -0.306 4.111 1.00 0.00 C ATOM 661 CD1 LEU A 44 4.894 -0.137 5.608 1.00 0.00 C ATOM 662 CD2 LEU A 44 6.633 -0.650 3.930 1.00 0.00 C ATOM 0 H LEU A 44 2.027 -2.628 2.170 1.00 0.00 H new ATOM 0 HA LEU A 44 2.496 -1.019 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.555 -2.370 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.561 -1.536 2.447 1.00 0.00 H new ATOM 0 HG LEU A 44 4.889 0.620 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.522 0.665 5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.845 0.112 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.131 -1.067 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.246 0.142 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.852 -1.592 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.857 -0.745 2.868 1.00 0.00 H new ATOM 674 N VAL A 45 2.372 1.117 3.057 1.00 0.00 N ATOM 675 CA VAL A 45 2.020 2.298 2.238 1.00 0.00 C ATOM 676 C VAL A 45 3.279 3.121 1.971 1.00 0.00 C ATOM 677 O VAL A 45 3.840 3.749 2.864 1.00 0.00 O ATOM 678 CB VAL A 45 0.919 3.167 2.877 1.00 0.00 C ATOM 679 CG1 VAL A 45 0.501 4.312 1.941 1.00 0.00 C ATOM 680 CG2 VAL A 45 -0.331 2.333 3.154 1.00 0.00 C ATOM 0 H VAL A 45 2.754 1.362 3.971 1.00 0.00 H new ATOM 0 HA VAL A 45 1.607 1.937 1.296 1.00 0.00 H new ATOM 0 HB VAL A 45 1.332 3.568 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.277 4.907 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.364 4.944 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.119 3.898 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.097 2.964 3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.707 1.919 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.082 1.520 3.836 1.00 0.00 H new ATOM 690 N ARG A 46 3.755 3.073 0.730 1.00 0.00 N ATOM 691 CA ARG A 46 4.974 3.735 0.229 1.00 0.00 C ATOM 692 C ARG A 46 4.689 4.239 -1.160 1.00 0.00 C ATOM 693 O ARG A 46 3.701 3.857 -1.773 1.00 0.00 O ATOM 694 CB ARG A 46 6.172 2.766 0.421 1.00 0.00 C ATOM 695 CG ARG A 46 6.863 2.167 -0.812 1.00 0.00 C ATOM 696 CD ARG A 46 5.944 1.335 -1.711 1.00 0.00 C ATOM 697 NE ARG A 46 6.589 0.737 -2.898 1.00 0.00 N ATOM 698 CZ ARG A 46 7.180 1.324 -3.927 1.00 0.00 C ATOM 699 NH1 ARG A 46 7.618 2.546 -3.920 1.00 0.00 N ATOM 700 NH2 ARG A 46 7.314 0.666 -5.038 1.00 0.00 N ATOM 0 H ARG A 46 3.280 2.543 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 46 5.269 4.626 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.931 3.295 0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.826 1.936 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.292 2.977 -1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.691 1.541 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.508 0.534 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.122 1.967 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 46 6.577 -0.282 -2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.516 3.119 -3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.064 2.933 -4.752 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.966 -0.290 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.767 1.105 -5.839 1.00 0.00 H new ATOM 714 N GLU A 47 5.522 5.116 -1.677 1.00 0.00 N ATOM 715 CA GLU A 47 5.344 5.552 -3.052 1.00 0.00 C ATOM 716 C GLU A 47 6.631 5.724 -3.791 1.00 0.00 C ATOM 717 O GLU A 47 7.679 5.333 -3.312 1.00 0.00 O ATOM 718 CB GLU A 47 4.416 6.782 -3.053 1.00 0.00 C ATOM 719 CG GLU A 47 5.077 8.099 -2.603 1.00 0.00 C ATOM 720 CD GLU A 47 4.062 9.196 -2.270 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.927 9.005 -1.844 1.00 0.00 O ATOM 722 OE2 GLU A 47 4.521 10.459 -2.431 1.00 0.00 O ATOM 0 H GLU A 47 6.311 5.534 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 47 4.856 4.767 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.019 6.918 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.567 6.578 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.696 7.907 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.741 8.454 -3.391 1.00 0.00 H new ATOM 730 N SER A 48 6.536 6.261 -4.985 1.00 0.00 N ATOM 731 CA SER A 48 7.674 6.389 -5.854 1.00 0.00 C ATOM 732 C SER A 48 8.230 7.796 -5.753 1.00 0.00 C ATOM 733 O SER A 48 7.479 8.774 -5.740 1.00 0.00 O ATOM 734 CB SER A 48 7.175 6.152 -7.256 1.00 0.00 C ATOM 735 OG SER A 48 8.283 6.034 -8.101 1.00 0.00 O ATOM 0 H SER A 48 5.666 6.620 -5.378 1.00 0.00 H new ATOM 0 HA SER A 48 8.459 5.682 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.569 5.247 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.538 6.976 -7.577 1.00 0.00 H new ATOM 0 HG SER A 48 8.366 5.106 -8.404 1.00 0.00 H new ATOM 741 N GLN A 49 9.558 7.891 -5.721 1.00 0.00 N ATOM 742 CA GLN A 49 10.247 9.181 -5.762 1.00 0.00 C ATOM 743 C GLN A 49 10.707 9.451 -7.231 1.00 0.00 C ATOM 744 O GLN A 49 11.339 10.469 -7.514 1.00 0.00 O ATOM 745 CB GLN A 49 11.221 9.323 -4.550 1.00 0.00 C ATOM 746 CG GLN A 49 12.644 8.735 -4.595 1.00 0.00 C ATOM 747 CD GLN A 49 13.529 9.201 -5.749 1.00 0.00 C ATOM 748 OE1 GLN A 49 14.162 10.249 -5.707 1.00 0.00 O ATOM 749 NE2 GLN A 49 13.626 8.420 -6.808 1.00 0.00 N ATOM 0 H GLN A 49 10.182 7.086 -5.667 1.00 0.00 H new ATOM 0 HA GLN A 49 9.618 10.050 -5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.324 10.389 -4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.722 8.882 -3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.145 8.979 -3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.565 7.649 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.101 7.546 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.226 8.690 -7.587 1.00 0.00 H new ATOM 758 N ARG A 50 10.305 8.557 -8.175 1.00 0.00 N ATOM 759 CA ARG A 50 10.502 8.615 -9.642 1.00 0.00 C ATOM 760 C ARG A 50 9.191 8.787 -10.447 1.00 0.00 C ATOM 761 O ARG A 50 9.177 9.601 -11.370 1.00 0.00 O ATOM 762 CB ARG A 50 11.341 7.406 -10.140 1.00 0.00 C ATOM 763 CG ARG A 50 10.708 6.033 -9.849 1.00 0.00 C ATOM 764 CD ARG A 50 11.410 4.813 -10.448 1.00 0.00 C ATOM 765 NE ARG A 50 10.669 3.586 -10.068 1.00 0.00 N ATOM 766 CZ ARG A 50 11.012 2.330 -10.290 1.00 0.00 C ATOM 767 NH1 ARG A 50 12.062 1.973 -10.969 1.00 0.00 N ATOM 768 NH2 ARG A 50 10.282 1.375 -9.814 1.00 0.00 N ATOM 0 H ARG A 50 9.797 7.715 -7.905 1.00 0.00 H new ATOM 0 HA ARG A 50 11.069 9.526 -9.835 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.493 7.502 -11.215 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.326 7.445 -9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.661 5.902 -8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.681 6.048 -10.213 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.456 4.902 -11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.437 4.757 -10.088 1.00 0.00 H new ATOM 0 HE ARG A 50 9.787 3.729 -9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.678 2.682 -11.367 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.270 0.984 -11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.447 1.594 -9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.541 0.403 -9.982 1.00 0.00 H new ATOM 782 N ASN A 51 8.092 8.077 -10.126 1.00 0.00 N ATOM 783 CA ASN A 51 6.815 8.187 -10.854 1.00 0.00 C ATOM 784 C ASN A 51 6.046 9.487 -10.476 1.00 0.00 C ATOM 785 O ASN A 51 5.785 9.686 -9.285 1.00 0.00 O ATOM 786 CB ASN A 51 5.939 6.937 -10.656 1.00 0.00 C ATOM 787 CG ASN A 51 6.320 5.876 -11.667 1.00 0.00 C ATOM 788 OD1 ASN A 51 5.891 5.901 -12.814 1.00 0.00 O ATOM 789 ND2 ASN A 51 7.204 4.980 -11.315 1.00 0.00 N ATOM 0 H ASN A 51 8.066 7.411 -9.354 1.00 0.00 H new ATOM 0 HA ASN A 51 7.056 8.251 -11.915 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.065 6.550 -9.645 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.887 7.198 -10.769 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.539 4.299 -11.996 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.559 4.962 -10.359 1.00 0.00 H new ATOM 796 N PRO A 52 5.612 10.346 -11.427 1.00 0.00 N ATOM 797 CA PRO A 52 5.018 11.662 -11.112 1.00 0.00 C ATOM 798 C PRO A 52 3.623 11.652 -10.449 1.00 0.00 C ATOM 799 O PRO A 52 3.261 12.601 -9.753 1.00 0.00 O ATOM 800 CB PRO A 52 4.955 12.416 -12.448 1.00 0.00 C ATOM 801 CG PRO A 52 6.044 11.760 -13.287 1.00 0.00 C ATOM 802 CD PRO A 52 5.961 10.303 -12.844 1.00 0.00 C ATOM 0 HA PRO A 52 5.646 12.132 -10.355 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.976 12.319 -12.917 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.140 13.482 -12.315 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.857 11.872 -14.355 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.025 12.190 -13.088 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.209 9.761 -13.417 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.911 9.791 -12.999 1.00 0.00 H new ATOM 810 N GLN A 53 2.839 10.591 -10.667 1.00 0.00 N ATOM 811 CA GLN A 53 1.446 10.414 -10.199 1.00 0.00 C ATOM 812 C GLN A 53 1.359 9.328 -9.106 1.00 0.00 C ATOM 813 O GLN A 53 0.289 8.763 -8.875 1.00 0.00 O ATOM 814 CB GLN A 53 0.549 10.109 -11.418 1.00 0.00 C ATOM 815 CG GLN A 53 0.467 11.306 -12.383 1.00 0.00 C ATOM 816 CD GLN A 53 -0.435 11.070 -13.598 1.00 0.00 C ATOM 817 OE1 GLN A 53 -0.923 9.980 -13.873 1.00 0.00 O ATOM 818 NE2 GLN A 53 -0.688 12.091 -14.391 1.00 0.00 N ATOM 0 H GLN A 53 3.169 9.787 -11.201 1.00 0.00 H new ATOM 0 HA GLN A 53 1.089 11.332 -9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.940 9.241 -11.949 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.453 9.849 -11.076 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.102 12.175 -11.836 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.471 11.548 -12.731 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.293 13.008 -14.183 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.279 11.964 -15.213 1.00 0.00 H new ATOM 827 N GLY A 54 2.467 9.066 -8.393 1.00 0.00 N ATOM 828 CA GLY A 54 2.552 7.962 -7.442 1.00 0.00 C ATOM 829 C GLY A 54 2.372 8.167 -5.944 1.00 0.00 C ATOM 830 O GLY A 54 3.012 8.981 -5.279 1.00 0.00 O ATOM 0 H GLY A 54 3.323 9.616 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.809 7.226 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.531 7.504 -7.580 1.00 0.00 H new ATOM 834 N PHE A 55 1.491 7.296 -5.472 1.00 0.00 N ATOM 835 CA PHE A 55 1.030 6.944 -4.124 1.00 0.00 C ATOM 836 C PHE A 55 0.801 5.425 -4.245 1.00 0.00 C ATOM 837 O PHE A 55 0.064 5.066 -5.155 1.00 0.00 O ATOM 838 CB PHE A 55 -0.274 7.704 -3.796 1.00 0.00 C ATOM 839 CG PHE A 55 -0.278 9.184 -4.157 1.00 0.00 C ATOM 840 CD1 PHE A 55 -0.636 9.590 -5.460 1.00 0.00 C ATOM 841 CD2 PHE A 55 0.085 10.154 -3.202 1.00 0.00 C ATOM 842 CE1 PHE A 55 -0.597 10.948 -5.818 1.00 0.00 C ATOM 843 CE2 PHE A 55 0.103 11.517 -3.556 1.00 0.00 C ATOM 844 CZ PHE A 55 -0.231 11.914 -4.862 1.00 0.00 C ATOM 0 H PHE A 55 0.993 6.715 -6.147 1.00 0.00 H new ATOM 0 HA PHE A 55 1.723 7.203 -3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.098 7.218 -4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.472 7.608 -2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.942 8.852 -6.187 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.349 9.853 -2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.847 11.250 -6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.375 12.260 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.207 12.959 -5.132 1.00 0.00 H new ATOM 854 N VAL A 56 1.424 4.516 -3.475 1.00 0.00 N ATOM 855 CA VAL A 56 1.252 3.056 -3.705 1.00 0.00 C ATOM 856 C VAL A 56 0.779 2.309 -2.452 1.00 0.00 C ATOM 857 O VAL A 56 1.223 2.533 -1.324 1.00 0.00 O ATOM 858 CB VAL A 56 2.413 2.317 -4.467 1.00 0.00 C ATOM 859 CG1 VAL A 56 3.597 3.181 -4.913 1.00 0.00 C ATOM 860 CG2 VAL A 56 3.014 1.146 -3.672 1.00 0.00 C ATOM 0 H VAL A 56 2.042 4.752 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 56 0.440 3.020 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 56 1.881 1.977 -5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.329 2.558 -5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.245 3.959 -5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.060 3.642 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.809 0.681 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.423 1.516 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.237 0.410 -3.465 1.00 0.00 H new ATOM 870 N LEU A 57 -0.142 1.381 -2.685 1.00 0.00 N ATOM 871 CA LEU A 57 -0.635 0.421 -1.705 1.00 0.00 C ATOM 872 C LEU A 57 0.214 -0.799 -2.094 1.00 0.00 C ATOM 873 O LEU A 57 0.260 -1.139 -3.276 1.00 0.00 O ATOM 874 CB LEU A 57 -2.158 0.238 -1.854 1.00 0.00 C ATOM 875 CG LEU A 57 -2.837 -0.459 -0.664 1.00 0.00 C ATOM 876 CD1 LEU A 57 -4.342 -0.549 -0.921 1.00 0.00 C ATOM 877 CD2 LEU A 57 -2.321 -1.881 -0.445 1.00 0.00 C ATOM 0 H LEU A 57 -0.583 1.273 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.535 0.683 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.616 1.217 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.355 -0.339 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.610 0.135 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.826 -1.043 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.752 0.454 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.522 -1.123 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.834 -2.327 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.512 -2.479 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.249 -1.853 -0.249 1.00 0.00 H new ATOM 889 N SER A 58 0.948 -1.420 -1.169 1.00 0.00 N ATOM 890 CA SER A 58 1.878 -2.501 -1.519 1.00 0.00 C ATOM 891 C SER A 58 1.539 -3.708 -0.676 1.00 0.00 C ATOM 892 O SER A 58 1.786 -3.680 0.523 1.00 0.00 O ATOM 893 CB SER A 58 3.328 -2.022 -1.373 1.00 0.00 C ATOM 894 OG SER A 58 3.553 -1.388 -0.128 1.00 0.00 O ATOM 0 H SER A 58 0.919 -1.196 -0.174 1.00 0.00 H new ATOM 0 HA SER A 58 1.775 -2.793 -2.564 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.003 -2.872 -1.474 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.564 -1.329 -2.181 1.00 0.00 H new ATOM 0 HG SER A 58 2.701 -1.287 0.347 1.00 0.00 H new ATOM 900 N LEU A 59 1.037 -4.769 -1.304 1.00 0.00 N ATOM 901 CA LEU A 59 0.522 -5.966 -0.634 1.00 0.00 C ATOM 902 C LEU A 59 1.584 -7.056 -0.543 1.00 0.00 C ATOM 903 O LEU A 59 2.602 -7.006 -1.231 1.00 0.00 O ATOM 904 CB LEU A 59 -0.671 -6.516 -1.448 1.00 0.00 C ATOM 905 CG LEU A 59 -1.885 -5.591 -1.628 1.00 0.00 C ATOM 906 CD1 LEU A 59 -2.935 -6.315 -2.467 1.00 0.00 C ATOM 907 CD2 LEU A 59 -2.555 -5.233 -0.307 1.00 0.00 C ATOM 0 H LEU A 59 0.975 -4.824 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 59 0.220 -5.689 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.306 -6.791 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.013 -7.433 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.519 -4.679 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.802 -5.668 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.514 -6.565 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.240 -7.229 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.406 -4.578 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.900 -6.143 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.840 -4.722 0.337 1.00 0.00 H new ATOM 919 N CYS A 60 1.302 -8.070 0.275 1.00 0.00 N ATOM 920 CA CYS A 60 2.165 -9.256 0.394 1.00 0.00 C ATOM 921 C CYS A 60 1.201 -10.379 0.143 1.00 0.00 C ATOM 922 O CYS A 60 0.423 -10.752 1.017 1.00 0.00 O ATOM 923 CB CYS A 60 2.869 -9.372 1.748 1.00 0.00 C ATOM 924 SG CYS A 60 3.888 -10.874 1.787 1.00 0.00 S ATOM 0 H CYS A 60 0.476 -8.098 0.872 1.00 0.00 H new ATOM 0 HA CYS A 60 3.004 -9.236 -0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.492 -8.495 1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.131 -9.401 2.550 1.00 0.00 H new ATOM 0 HG CYS A 60 3.153 -11.905 1.491 1.00 0.00 H new ATOM 930 N HIS A 61 1.174 -10.794 -1.114 1.00 0.00 N ATOM 931 CA HIS A 61 0.211 -11.759 -1.577 1.00 0.00 C ATOM 932 C HIS A 61 0.730 -13.194 -1.450 1.00 0.00 C ATOM 933 O HIS A 61 1.702 -13.459 -0.737 1.00 0.00 O ATOM 934 CB HIS A 61 -0.325 -11.210 -2.907 1.00 0.00 C ATOM 935 CG HIS A 61 -0.491 -12.114 -4.100 1.00 0.00 C ATOM 936 ND1 HIS A 61 0.559 -12.645 -4.855 1.00 0.00 N ATOM 937 CD2 HIS A 61 -1.668 -12.581 -4.596 1.00 0.00 C ATOM 938 CE1 HIS A 61 -0.016 -13.425 -5.785 1.00 0.00 C ATOM 939 NE2 HIS A 61 -1.351 -13.395 -5.659 1.00 0.00 N ATOM 0 H HIS A 61 1.820 -10.468 -1.833 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.676 -11.881 -0.955 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.300 -10.767 -2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.337 -10.398 -3.209 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.658 -12.357 -4.227 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.520 -13.995 -6.529 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.018 -13.891 -6.250 1.00 0.00 H new ATOM 947 N LEU A 62 0.105 -14.117 -2.171 1.00 0.00 N ATOM 948 CA LEU A 62 0.393 -15.563 -2.078 1.00 0.00 C ATOM 949 C LEU A 62 1.328 -16.141 -3.091 1.00 0.00 C ATOM 950 O LEU A 62 1.508 -17.358 -3.172 1.00 0.00 O ATOM 951 CB LEU A 62 -0.825 -16.398 -1.624 1.00 0.00 C ATOM 952 CG LEU A 62 -1.676 -17.044 -2.735 1.00 0.00 C ATOM 953 CD1 LEU A 62 -2.940 -17.650 -2.126 1.00 0.00 C ATOM 954 CD2 LEU A 62 -2.095 -16.071 -3.832 1.00 0.00 C ATOM 0 H LEU A 62 -0.625 -13.891 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 62 1.072 -15.661 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.468 -17.190 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.474 -15.756 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.044 -17.804 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.540 -18.106 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.663 -18.409 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.519 -16.867 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.690 -16.598 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.687 -15.266 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.207 -15.653 -4.306 1.00 0.00 H new ATOM 966 N GLN A 63 1.990 -15.216 -3.777 1.00 0.00 N ATOM 967 CA GLN A 63 3.082 -15.567 -4.638 1.00 0.00 C ATOM 968 C GLN A 63 4.150 -14.476 -4.688 1.00 0.00 C ATOM 969 O GLN A 63 5.336 -14.806 -4.750 1.00 0.00 O ATOM 970 CB GLN A 63 2.693 -16.010 -6.066 1.00 0.00 C ATOM 971 CG GLN A 63 1.650 -17.133 -6.194 1.00 0.00 C ATOM 972 CD GLN A 63 1.361 -17.540 -7.642 1.00 0.00 C ATOM 973 OE1 GLN A 63 1.849 -16.970 -8.612 1.00 0.00 O ATOM 974 NE2 GLN A 63 0.538 -18.548 -7.850 1.00 0.00 N ATOM 0 H GLN A 63 1.779 -14.219 -3.744 1.00 0.00 H new ATOM 0 HA GLN A 63 3.498 -16.457 -4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.317 -15.137 -6.600 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.600 -16.331 -6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.999 -18.006 -5.643 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.721 -16.810 -5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.120 -19.037 -7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.319 -18.839 -8.803 1.00 0.00 H new ATOM 983 N LYS A 64 3.753 -13.191 -4.643 1.00 0.00 N ATOM 984 CA LYS A 64 4.710 -12.075 -4.575 1.00 0.00 C ATOM 985 C LYS A 64 4.168 -10.828 -3.855 1.00 0.00 C ATOM 986 O LYS A 64 3.039 -10.809 -3.375 1.00 0.00 O ATOM 987 CB LYS A 64 5.157 -11.749 -6.022 1.00 0.00 C ATOM 988 CG LYS A 64 4.058 -11.038 -6.840 1.00 0.00 C ATOM 989 CD LYS A 64 4.373 -10.972 -8.345 1.00 0.00 C ATOM 990 CE LYS A 64 4.327 -12.346 -9.037 1.00 0.00 C ATOM 991 NZ LYS A 64 4.600 -12.233 -10.500 1.00 0.00 N ATOM 0 H LYS A 64 2.775 -12.901 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 64 5.559 -12.387 -3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.045 -11.118 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.440 -12.673 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.112 -11.559 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.926 -10.026 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.660 -10.305 -8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.362 -10.536 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.061 -13.009 -8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.348 -12.799 -8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.561 -13.177 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.885 -11.620 -10.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.545 -11.823 -10.646 1.00 0.00 H new ATOM 1005 N VAL A 65 4.978 -9.769 -3.810 1.00 0.00 N ATOM 1006 CA VAL A 65 4.601 -8.433 -3.300 1.00 0.00 C ATOM 1007 C VAL A 65 4.291 -7.552 -4.518 1.00 0.00 C ATOM 1008 O VAL A 65 5.084 -7.490 -5.457 1.00 0.00 O ATOM 1009 CB VAL A 65 5.647 -7.814 -2.346 1.00 0.00 C ATOM 1010 CG1 VAL A 65 5.588 -8.487 -0.976 1.00 0.00 C ATOM 1011 CG2 VAL A 65 7.075 -7.926 -2.831 1.00 0.00 C ATOM 0 H VAL A 65 5.944 -9.810 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 65 3.717 -8.519 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 65 5.383 -6.758 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.332 -8.038 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.595 -8.352 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.795 -9.552 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.744 -7.467 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.337 -8.977 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.175 -7.415 -3.788 1.00 0.00 H new ATOM 1021 N LYS A 66 3.117 -6.915 -4.531 1.00 0.00 N ATOM 1022 CA LYS A 66 2.589 -6.121 -5.664 1.00 0.00 C ATOM 1023 C LYS A 66 2.142 -4.734 -5.202 1.00 0.00 C ATOM 1024 O LYS A 66 1.646 -4.590 -4.091 1.00 0.00 O ATOM 1025 CB LYS A 66 1.543 -6.937 -6.446 1.00 0.00 C ATOM 1026 CG LYS A 66 0.459 -7.612 -5.582 1.00 0.00 C ATOM 1027 CD LYS A 66 -0.420 -8.591 -6.381 1.00 0.00 C ATOM 1028 CE LYS A 66 0.359 -9.821 -6.896 1.00 0.00 C ATOM 1029 NZ LYS A 66 -0.520 -10.762 -7.664 1.00 0.00 N ATOM 0 H LYS A 66 2.482 -6.933 -3.733 1.00 0.00 H new ATOM 0 HA LYS A 66 3.381 -5.917 -6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.055 -6.279 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.060 -7.707 -7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.937 -8.147 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.174 -6.844 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.244 -8.927 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.860 -8.066 -7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.179 -9.490 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.804 -10.348 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.071 -11.429 -8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.125 -11.290 -7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.117 -10.221 -8.322 1.00 0.00 H new ATOM 1043 N HIS A 67 2.305 -3.734 -6.069 1.00 0.00 N ATOM 1044 CA HIS A 67 2.089 -2.307 -5.770 1.00 0.00 C ATOM 1045 C HIS A 67 0.968 -1.631 -6.598 1.00 0.00 C ATOM 1046 O HIS A 67 0.607 -2.126 -7.654 1.00 0.00 O ATOM 1047 CB HIS A 67 3.462 -1.638 -5.943 1.00 0.00 C ATOM 1048 CG HIS A 67 4.601 -2.251 -5.141 1.00 0.00 C ATOM 1049 ND1 HIS A 67 5.242 -1.668 -4.044 1.00 0.00 N ATOM 1050 CD2 HIS A 67 5.249 -3.418 -5.438 1.00 0.00 C ATOM 1051 CE1 HIS A 67 6.216 -2.523 -3.678 1.00 0.00 C ATOM 1052 NE2 HIS A 67 6.253 -3.570 -4.510 1.00 0.00 N ATOM 0 H HIS A 67 2.601 -3.894 -7.032 1.00 0.00 H new ATOM 0 HA HIS A 67 1.711 -2.192 -4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.729 -1.667 -6.999 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.371 -0.588 -5.666 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.016 -4.093 -6.248 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.874 -2.383 -2.833 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.912 -4.347 -4.464 1.00 0.00 H new ATOM 1060 N TYR A 68 0.424 -0.491 -6.135 1.00 0.00 N ATOM 1061 CA TYR A 68 -0.739 0.216 -6.730 1.00 0.00 C ATOM 1062 C TYR A 68 -0.548 1.758 -6.937 1.00 0.00 C ATOM 1063 O TYR A 68 -1.017 2.505 -6.089 1.00 0.00 O ATOM 1064 CB TYR A 68 -1.935 0.004 -5.761 1.00 0.00 C ATOM 1065 CG TYR A 68 -2.619 -1.350 -5.639 1.00 0.00 C ATOM 1066 CD1 TYR A 68 -1.934 -2.505 -5.207 1.00 0.00 C ATOM 1067 CD2 TYR A 68 -4.012 -1.415 -5.828 1.00 0.00 C ATOM 1068 CE1 TYR A 68 -2.618 -3.719 -5.023 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -4.710 -2.620 -5.617 1.00 0.00 C ATOM 1070 CZ TYR A 68 -4.014 -3.779 -5.229 1.00 0.00 C ATOM 1071 OH TYR A 68 -4.682 -4.954 -5.089 1.00 0.00 O ATOM 0 H TYR A 68 0.789 -0.016 -5.310 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.890 -0.199 -7.727 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.589 0.277 -4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.703 0.725 -6.041 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.872 -2.456 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.551 -0.532 -6.138 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.077 -4.605 -4.725 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.781 -2.654 -5.753 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.359 -4.863 -4.387 1.00 0.00 H new ATOM 1081 N LEU A 69 0.064 2.283 -8.024 1.00 0.00 N ATOM 1082 CA LEU A 69 0.349 3.759 -8.162 1.00 0.00 C ATOM 1083 C LEU A 69 0.092 4.511 -9.473 1.00 0.00 C ATOM 1084 O LEU A 69 0.455 5.686 -9.545 1.00 0.00 O ATOM 1085 CB LEU A 69 1.826 4.056 -7.790 1.00 0.00 C ATOM 1086 CG LEU A 69 2.999 4.060 -8.821 1.00 0.00 C ATOM 1087 CD1 LEU A 69 2.922 4.439 -10.305 1.00 0.00 C ATOM 1088 CD2 LEU A 69 4.190 4.847 -8.282 1.00 0.00 C ATOM 0 H LEU A 69 0.373 1.725 -8.820 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.418 4.140 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.830 5.039 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.098 3.333 -7.021 1.00 0.00 H new ATOM 0 HG LEU A 69 3.029 2.972 -8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.909 4.341 -10.757 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.222 3.776 -10.814 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.580 5.470 -10.400 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.995 4.837 -9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.888 5.876 -8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.538 4.391 -7.355 1.00 0.00 H new ATOM 1100 N ILE A 70 -0.722 4.032 -10.405 1.00 0.00 N ATOM 1101 CA ILE A 70 -0.750 4.673 -11.736 1.00 0.00 C ATOM 1102 C ILE A 70 -1.803 5.769 -11.947 1.00 0.00 C ATOM 1103 O ILE A 70 -1.855 6.341 -13.034 1.00 0.00 O ATOM 1104 CB ILE A 70 -0.815 3.557 -12.828 1.00 0.00 C ATOM 1105 CG1 ILE A 70 -0.046 2.259 -12.438 1.00 0.00 C ATOM 1106 CG2 ILE A 70 -0.230 4.048 -14.171 1.00 0.00 C ATOM 1107 CD1 ILE A 70 -0.438 1.019 -13.211 1.00 0.00 C ATOM 0 H ILE A 70 -1.350 3.238 -10.285 1.00 0.00 H new ATOM 0 HA ILE A 70 0.177 5.240 -11.820 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.876 3.326 -12.921 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.021 2.432 -12.578 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.201 2.069 -11.376 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.290 3.248 -14.909 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.799 4.909 -14.522 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.812 4.334 -14.031 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.154 0.172 -12.865 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.496 0.811 -13.053 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.255 1.179 -14.273 1.00 0.00 H new ATOM 1119 N LEU A 71 -2.570 6.161 -10.920 1.00 0.00 N ATOM 1120 CA LEU A 71 -3.517 7.280 -11.023 1.00 0.00 C ATOM 1121 C LEU A 71 -3.446 8.213 -9.784 1.00 0.00 C ATOM 1122 O LEU A 71 -3.336 7.721 -8.656 1.00 0.00 O ATOM 1123 CB LEU A 71 -4.950 6.731 -11.263 1.00 0.00 C ATOM 1124 CG LEU A 71 -5.116 5.605 -12.317 1.00 0.00 C ATOM 1125 CD1 LEU A 71 -6.491 4.951 -12.197 1.00 0.00 C ATOM 1126 CD2 LEU A 71 -4.972 6.062 -13.771 1.00 0.00 C ATOM 0 H LEU A 71 -2.552 5.716 -10.002 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.238 7.896 -11.878 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.333 6.361 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.585 7.566 -11.559 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.304 4.913 -12.094 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.586 4.164 -12.945 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.604 4.521 -11.202 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.266 5.701 -12.358 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.103 5.208 -14.436 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.729 6.814 -13.993 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.981 6.490 -13.921 1.00 0.00 H new ATOM 1138 N PRO A 72 -3.508 9.553 -9.967 1.00 0.00 N ATOM 1139 CA PRO A 72 -3.548 10.535 -8.878 1.00 0.00 C ATOM 1140 C PRO A 72 -4.991 10.749 -8.372 1.00 0.00 C ATOM 1141 O PRO A 72 -5.926 10.101 -8.843 1.00 0.00 O ATOM 1142 CB PRO A 72 -2.964 11.802 -9.514 1.00 0.00 C ATOM 1143 CG PRO A 72 -3.526 11.747 -10.934 1.00 0.00 C ATOM 1144 CD PRO A 72 -3.530 10.250 -11.248 1.00 0.00 C ATOM 0 HA PRO A 72 -2.989 10.221 -7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.279 12.703 -8.987 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.874 11.794 -9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.528 12.173 -10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.905 12.304 -11.635 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.416 9.977 -11.822 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.664 9.979 -11.851 1.00 0.00 H new ATOM 1152 N SER A 73 -5.205 11.663 -7.419 1.00 0.00 N ATOM 1153 CA SER A 73 -6.556 12.025 -6.950 1.00 0.00 C ATOM 1154 C SER A 73 -7.417 12.643 -8.067 1.00 0.00 C ATOM 1155 O SER A 73 -6.897 13.345 -8.939 1.00 0.00 O ATOM 1156 CB SER A 73 -6.492 12.998 -5.765 1.00 0.00 C ATOM 1157 OG SER A 73 -5.810 12.404 -4.675 1.00 0.00 O ATOM 0 H SER A 73 -4.455 12.172 -6.951 1.00 0.00 H new ATOM 0 HA SER A 73 -7.025 11.094 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.983 13.914 -6.065 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.501 13.279 -5.462 1.00 0.00 H new ATOM 0 HG SER A 73 -5.775 13.036 -3.927 1.00 0.00 H new ATOM 1163 N GLU A 74 -8.737 12.403 -8.039 1.00 0.00 N ATOM 1164 CA GLU A 74 -9.697 12.903 -9.046 1.00 0.00 C ATOM 1165 C GLU A 74 -10.851 13.702 -8.398 1.00 0.00 C ATOM 1166 O GLU A 74 -10.894 13.877 -7.180 1.00 0.00 O ATOM 1167 CB GLU A 74 -10.204 11.720 -9.902 1.00 0.00 C ATOM 1168 CG GLU A 74 -9.083 11.021 -10.694 1.00 0.00 C ATOM 1169 CD GLU A 74 -9.598 9.961 -11.673 1.00 0.00 C ATOM 1170 OE1 GLU A 74 -10.756 9.858 -12.072 1.00 0.00 O ATOM 1171 OE2 GLU A 74 -8.650 9.108 -12.125 1.00 0.00 O ATOM 0 H GLU A 74 -9.178 11.848 -7.306 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.186 13.608 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.690 10.992 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.961 12.081 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.517 11.771 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.392 10.552 -9.994 1.00 0.00 H new ATOM 1179 N GLU A 75 -11.824 14.150 -9.202 1.00 0.00 N ATOM 1180 CA GLU A 75 -12.931 15.017 -8.747 1.00 0.00 C ATOM 1181 C GLU A 75 -14.221 14.227 -8.438 1.00 0.00 C ATOM 1182 O GLU A 75 -15.159 14.769 -7.849 1.00 0.00 O ATOM 1183 CB GLU A 75 -13.205 16.102 -9.806 1.00 0.00 C ATOM 1184 CG GLU A 75 -12.019 17.045 -10.068 1.00 0.00 C ATOM 1185 CD GLU A 75 -11.619 17.853 -8.817 1.00 0.00 C ATOM 1186 OE1 GLU A 75 -12.419 18.705 -8.357 1.00 0.00 O ATOM 1187 OE2 GLU A 75 -10.494 17.657 -8.296 1.00 0.00 O ATOM 0 H GLU A 75 -11.870 13.922 -10.195 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.620 15.481 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.482 15.617 -10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.062 16.695 -9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.164 16.462 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.277 17.733 -10.873 1.00 0.00 H new ATOM 1194 N GLU A 76 -14.254 12.930 -8.777 1.00 0.00 N ATOM 1195 CA GLU A 76 -15.351 11.997 -8.455 1.00 0.00 C ATOM 1196 C GLU A 76 -15.039 11.118 -7.223 1.00 0.00 C ATOM 1197 O GLU A 76 -15.843 10.260 -6.848 1.00 0.00 O ATOM 1198 CB GLU A 76 -15.687 11.125 -9.686 1.00 0.00 C ATOM 1199 CG GLU A 76 -14.515 10.249 -10.158 1.00 0.00 C ATOM 1200 CD GLU A 76 -14.994 9.009 -10.941 1.00 0.00 C ATOM 1201 OE1 GLU A 76 -15.527 9.163 -12.067 1.00 0.00 O ATOM 1202 OE2 GLU A 76 -14.826 7.871 -10.431 1.00 0.00 O ATOM 0 H GLU A 76 -13.498 12.485 -9.298 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.223 12.597 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.535 10.484 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.999 11.773 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.852 10.841 -10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.932 9.929 -9.295 1.00 0.00 H new ATOM 1209 N GLY A 77 -13.860 11.297 -6.610 1.00 0.00 N ATOM 1210 CA GLY A 77 -13.349 10.482 -5.501 1.00 0.00 C ATOM 1211 C GLY A 77 -12.210 11.133 -4.717 1.00 0.00 C ATOM 1212 O GLY A 77 -12.107 12.357 -4.657 1.00 0.00 O ATOM 0 H GLY A 77 -13.215 12.039 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.169 10.266 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.003 9.527 -5.896 1.00 0.00 H new ATOM 1216 N ARG A 78 -11.381 10.314 -4.056 1.00 0.00 N ATOM 1217 CA ARG A 78 -10.157 10.720 -3.326 1.00 0.00 C ATOM 1218 C ARG A 78 -8.927 10.215 -4.101 1.00 0.00 C ATOM 1219 O ARG A 78 -8.909 10.353 -5.323 1.00 0.00 O ATOM 1220 CB ARG A 78 -10.227 10.220 -1.864 1.00 0.00 C ATOM 1221 CG ARG A 78 -11.490 10.536 -1.037 1.00 0.00 C ATOM 1222 CD ARG A 78 -11.635 12.010 -0.641 1.00 0.00 C ATOM 1223 NE ARG A 78 -11.920 12.844 -1.816 1.00 0.00 N ATOM 1224 CZ ARG A 78 -11.968 14.162 -1.889 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -11.849 14.921 -0.836 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -12.138 14.734 -3.046 1.00 0.00 N ATOM 0 H ARG A 78 -11.545 9.308 -4.009 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.073 11.805 -3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.102 9.137 -1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.370 10.633 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.368 10.238 -1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.478 9.929 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.437 12.117 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.719 12.353 -0.160 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.104 12.342 -2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.714 14.500 0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.891 15.936 -0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.233 14.165 -3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.176 15.751 -3.111 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.924 9.634 -3.427 1.00 0.00 N ATOM 1241 CA LEU A 79 -6.762 9.003 -4.075 1.00 0.00 C ATOM 1242 C LEU A 79 -7.302 7.906 -5.005 1.00 0.00 C ATOM 1243 O LEU A 79 -7.953 6.977 -4.528 1.00 0.00 O ATOM 1244 CB LEU A 79 -5.810 8.406 -3.019 1.00 0.00 C ATOM 1245 CG LEU A 79 -4.872 9.431 -2.354 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -4.221 8.808 -1.119 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -3.749 9.862 -3.300 1.00 0.00 C ATOM 0 H LEU A 79 -7.895 9.588 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.191 9.738 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.405 7.921 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.205 7.631 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.476 10.299 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.558 9.536 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.994 8.513 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.646 7.931 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.107 10.585 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.160 8.991 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.179 10.317 -4.192 1.00 0.00 H new ATOM 1259 N TYR A 80 -7.087 8.010 -6.318 1.00 0.00 N ATOM 1260 CA TYR A 80 -7.686 7.074 -7.273 1.00 0.00 C ATOM 1261 C TYR A 80 -6.891 5.779 -7.452 1.00 0.00 C ATOM 1262 O TYR A 80 -5.711 5.805 -7.789 1.00 0.00 O ATOM 1263 CB TYR A 80 -7.980 7.770 -8.597 1.00 0.00 C ATOM 1264 CG TYR A 80 -9.269 7.322 -9.244 1.00 0.00 C ATOM 1265 CD1 TYR A 80 -9.298 6.220 -10.116 1.00 0.00 C ATOM 1266 CD2 TYR A 80 -10.451 8.029 -8.961 1.00 0.00 C ATOM 1267 CE1 TYR A 80 -10.503 5.851 -10.747 1.00 0.00 C ATOM 1268 CE2 TYR A 80 -11.651 7.666 -9.591 1.00 0.00 C ATOM 1269 CZ TYR A 80 -11.681 6.588 -10.500 1.00 0.00 C ATOM 1270 OH TYR A 80 -12.846 6.244 -11.111 1.00 0.00 O ATOM 0 H TYR A 80 -6.504 8.731 -6.744 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.635 6.753 -6.843 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.022 8.846 -8.430 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.155 7.586 -9.285 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.396 5.656 -10.303 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -10.435 8.850 -8.260 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.525 5.005 -11.419 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -12.557 8.215 -9.379 1.00 0.00 H new ATOM 0 HH TYR A 80 -13.601 6.619 -10.611 1.00 0.00 H new ATOM 1280 N PHE A 81 -7.573 4.642 -7.276 1.00 0.00 N ATOM 1281 CA PHE A 81 -7.009 3.307 -7.440 1.00 0.00 C ATOM 1282 C PHE A 81 -7.920 2.256 -8.047 1.00 0.00 C ATOM 1283 O PHE A 81 -9.145 2.350 -8.000 1.00 0.00 O ATOM 1284 CB PHE A 81 -6.335 2.731 -6.177 1.00 0.00 C ATOM 1285 CG PHE A 81 -5.390 3.624 -5.388 1.00 0.00 C ATOM 1286 CD1 PHE A 81 -4.156 4.006 -5.943 1.00 0.00 C ATOM 1287 CD2 PHE A 81 -5.713 4.027 -4.075 1.00 0.00 C ATOM 1288 CE1 PHE A 81 -3.267 4.807 -5.203 1.00 0.00 C ATOM 1289 CE2 PHE A 81 -4.811 4.804 -3.327 1.00 0.00 C ATOM 1290 CZ PHE A 81 -3.587 5.200 -3.893 1.00 0.00 C ATOM 0 H PHE A 81 -8.557 4.630 -7.009 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.239 3.518 -8.183 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.124 2.403 -5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.780 1.841 -6.474 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.890 3.684 -6.939 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.659 3.737 -3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.333 5.122 -5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.059 5.097 -2.317 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.896 5.804 -3.323 1.00 0.00 H new ATOM 1300 N SER A 82 -7.262 1.248 -8.605 1.00 0.00 N ATOM 1301 CA SER A 82 -7.835 0.037 -9.161 1.00 0.00 C ATOM 1302 C SER A 82 -6.865 -1.153 -8.996 1.00 0.00 C ATOM 1303 O SER A 82 -5.938 -1.155 -8.196 1.00 0.00 O ATOM 1304 CB SER A 82 -8.351 0.282 -10.590 1.00 0.00 C ATOM 1305 OG SER A 82 -7.295 0.516 -11.491 1.00 0.00 O ATOM 0 H SER A 82 -6.245 1.259 -8.685 1.00 0.00 H new ATOM 0 HA SER A 82 -8.722 -0.251 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.928 -0.581 -10.922 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.027 1.137 -10.591 1.00 0.00 H new ATOM 0 HG SER A 82 -7.658 0.666 -12.389 1.00 0.00 H new ATOM 1311 N MET A 83 -7.097 -2.147 -9.823 1.00 0.00 N ATOM 1312 CA MET A 83 -6.618 -3.509 -10.022 1.00 0.00 C ATOM 1313 C MET A 83 -6.857 -3.868 -11.500 1.00 0.00 C ATOM 1314 O MET A 83 -7.251 -3.012 -12.295 1.00 0.00 O ATOM 1315 CB MET A 83 -7.384 -4.506 -9.137 1.00 0.00 C ATOM 1316 CG MET A 83 -7.273 -4.256 -7.643 1.00 0.00 C ATOM 1317 SD MET A 83 -8.331 -5.366 -6.681 1.00 0.00 S ATOM 1318 CE MET A 83 -8.445 -4.388 -5.164 1.00 0.00 C ATOM 0 H MET A 83 -7.796 -1.970 -10.544 1.00 0.00 H new ATOM 0 HA MET A 83 -5.563 -3.566 -9.756 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.437 -4.482 -9.417 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.020 -5.511 -9.350 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.236 -4.385 -7.331 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.544 -3.222 -7.429 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.283 -4.743 -4.564 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.522 -4.491 -4.594 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.599 -3.339 -5.418 1.00 0.00 H new ATOM 1328 N ASP A 84 -6.698 -5.146 -11.852 1.00 0.00 N ATOM 1329 CA ASP A 84 -7.065 -5.596 -13.203 1.00 0.00 C ATOM 1330 C ASP A 84 -8.605 -5.497 -13.369 1.00 0.00 C ATOM 1331 O ASP A 84 -9.095 -5.152 -14.446 1.00 0.00 O ATOM 1332 CB ASP A 84 -6.547 -7.012 -13.478 1.00 0.00 C ATOM 1333 CG ASP A 84 -6.802 -7.427 -14.936 1.00 0.00 C ATOM 1334 OD1 ASP A 84 -6.134 -6.882 -15.847 1.00 0.00 O ATOM 1335 OD2 ASP A 84 -7.657 -8.315 -15.175 1.00 0.00 O ATOM 0 H ASP A 84 -6.328 -5.874 -11.241 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.592 -4.949 -13.942 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.479 -7.058 -13.266 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.036 -7.717 -12.806 1.00 0.00 H new ATOM 1340 N ASP A 85 -9.365 -5.755 -12.289 1.00 0.00 N ATOM 1341 CA ASP A 85 -10.826 -5.600 -12.204 1.00 0.00 C ATOM 1342 C ASP A 85 -11.229 -5.038 -10.817 1.00 0.00 C ATOM 1343 O ASP A 85 -11.904 -5.708 -10.032 1.00 0.00 O ATOM 1344 CB ASP A 85 -11.500 -6.943 -12.549 1.00 0.00 C ATOM 1345 CG ASP A 85 -13.035 -6.845 -12.606 1.00 0.00 C ATOM 1346 OD1 ASP A 85 -13.573 -5.811 -13.072 1.00 0.00 O ATOM 1347 OD2 ASP A 85 -13.718 -7.829 -12.225 1.00 0.00 O ATOM 0 H ASP A 85 -8.959 -6.091 -11.416 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.177 -4.870 -12.933 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.127 -7.294 -13.511 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.216 -7.688 -11.806 1.00 0.00 H new ATOM 1352 N GLY A 86 -10.747 -3.829 -10.474 1.00 0.00 N ATOM 1353 CA GLY A 86 -10.941 -3.209 -9.144 1.00 0.00 C ATOM 1354 C GLY A 86 -11.343 -1.727 -9.120 1.00 0.00 C ATOM 1355 O GLY A 86 -11.355 -1.043 -10.142 1.00 0.00 O ATOM 0 H GLY A 86 -10.207 -3.248 -11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.706 -3.776 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.014 -3.318 -8.580 1.00 0.00 H new ATOM 1359 N GLN A 87 -11.664 -1.242 -7.913 1.00 0.00 N ATOM 1360 CA GLN A 87 -12.192 0.107 -7.629 1.00 0.00 C ATOM 1361 C GLN A 87 -11.629 0.745 -6.332 1.00 0.00 C ATOM 1362 O GLN A 87 -12.377 1.328 -5.548 1.00 0.00 O ATOM 1363 CB GLN A 87 -13.737 0.019 -7.620 1.00 0.00 C ATOM 1364 CG GLN A 87 -14.275 -1.048 -6.645 1.00 0.00 C ATOM 1365 CD GLN A 87 -15.769 -0.886 -6.381 1.00 0.00 C ATOM 1366 OE1 GLN A 87 -16.215 -0.754 -5.246 1.00 0.00 O ATOM 1367 NE2 GLN A 87 -16.601 -0.910 -7.403 1.00 0.00 N ATOM 0 H GLN A 87 -11.559 -1.802 -7.067 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.856 0.784 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.149 0.991 -7.349 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.088 -0.207 -8.627 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.086 -2.040 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.732 -0.983 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.241 -1.019 -8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.605 -0.819 -7.246 1.00 0.00 H new ATOM 1376 N THR A 88 -10.322 0.633 -6.066 1.00 0.00 N ATOM 1377 CA THR A 88 -9.686 1.091 -4.803 1.00 0.00 C ATOM 1378 C THR A 88 -9.536 2.581 -4.503 1.00 0.00 C ATOM 1379 O THR A 88 -9.057 2.978 -3.447 1.00 0.00 O ATOM 1380 CB THR A 88 -8.494 0.212 -4.408 1.00 0.00 C ATOM 1381 OG1 THR A 88 -7.782 -0.145 -5.572 1.00 0.00 O ATOM 1382 CG2 THR A 88 -9.011 -1.077 -3.779 1.00 0.00 C ATOM 0 H THR A 88 -9.660 0.219 -6.722 1.00 0.00 H new ATOM 0 HA THR A 88 -10.493 0.922 -4.090 1.00 0.00 H new ATOM 0 HB THR A 88 -7.858 0.758 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.935 -0.568 -5.320 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.168 -1.707 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.600 -0.839 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.635 -1.608 -4.498 1.00 0.00 H new ATOM 1390 N ARG A 89 -9.987 3.369 -5.465 1.00 0.00 N ATOM 1391 CA ARG A 89 -10.166 4.843 -5.538 1.00 0.00 C ATOM 1392 C ARG A 89 -10.774 5.610 -4.327 1.00 0.00 C ATOM 1393 O ARG A 89 -11.751 6.346 -4.472 1.00 0.00 O ATOM 1394 CB ARG A 89 -10.930 5.164 -6.851 1.00 0.00 C ATOM 1395 CG ARG A 89 -12.273 4.407 -6.995 1.00 0.00 C ATOM 1396 CD ARG A 89 -13.431 5.284 -7.487 1.00 0.00 C ATOM 1397 NE ARG A 89 -13.881 6.193 -6.419 1.00 0.00 N ATOM 1398 CZ ARG A 89 -14.774 7.159 -6.504 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -15.287 7.575 -7.623 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -15.171 7.773 -5.427 1.00 0.00 N ATOM 0 H ARG A 89 -10.282 2.946 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.148 5.233 -5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.122 6.236 -6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.293 4.918 -7.700 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.138 3.577 -7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.541 3.976 -6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.114 5.862 -8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.260 4.654 -7.810 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.450 6.059 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.002 7.148 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.975 8.328 -7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.791 7.507 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.862 8.521 -5.491 1.00 0.00 H new ATOM 1414 N PHE A 90 -10.211 5.451 -3.136 1.00 0.00 N ATOM 1415 CA PHE A 90 -10.531 6.157 -1.886 1.00 0.00 C ATOM 1416 C PHE A 90 -9.241 6.450 -1.085 1.00 0.00 C ATOM 1417 O PHE A 90 -8.186 5.875 -1.355 1.00 0.00 O ATOM 1418 CB PHE A 90 -11.555 5.334 -1.078 1.00 0.00 C ATOM 1419 CG PHE A 90 -11.250 3.846 -0.946 1.00 0.00 C ATOM 1420 CD1 PHE A 90 -10.199 3.401 -0.119 1.00 0.00 C ATOM 1421 CD2 PHE A 90 -12.019 2.904 -1.658 1.00 0.00 C ATOM 1422 CE1 PHE A 90 -9.920 2.027 -0.008 1.00 0.00 C ATOM 1423 CE2 PHE A 90 -11.744 1.530 -1.540 1.00 0.00 C ATOM 1424 CZ PHE A 90 -10.694 1.091 -0.712 1.00 0.00 C ATOM 0 H PHE A 90 -9.460 4.774 -3.001 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.985 7.122 -2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -11.629 5.761 -0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -12.533 5.446 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.606 4.117 0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.823 3.239 -2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.108 1.691 0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -12.339 0.812 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.484 0.036 -0.618 1.00 0.00 H new ATOM 1434 N THR A 91 -9.313 7.322 -0.069 1.00 0.00 N ATOM 1435 CA THR A 91 -8.173 7.601 0.834 1.00 0.00 C ATOM 1436 C THR A 91 -7.847 6.348 1.656 1.00 0.00 C ATOM 1437 O THR A 91 -8.750 5.746 2.238 1.00 0.00 O ATOM 1438 CB THR A 91 -8.475 8.765 1.795 1.00 0.00 C ATOM 1439 OG1 THR A 91 -8.892 9.888 1.064 1.00 0.00 O ATOM 1440 CG2 THR A 91 -7.255 9.209 2.606 1.00 0.00 C ATOM 0 H THR A 91 -10.154 7.854 0.154 1.00 0.00 H new ATOM 0 HA THR A 91 -7.323 7.882 0.213 1.00 0.00 H new ATOM 0 HB THR A 91 -9.243 8.396 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.085 10.626 1.679 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.535 10.032 3.263 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.892 8.373 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.467 9.538 1.928 1.00 0.00 H new ATOM 1448 N ASP A 92 -6.573 5.960 1.755 1.00 0.00 N ATOM 1449 CA ASP A 92 -6.197 4.711 2.425 1.00 0.00 C ATOM 1450 C ASP A 92 -6.236 4.812 3.956 1.00 0.00 C ATOM 1451 O ASP A 92 -6.847 3.964 4.601 1.00 0.00 O ATOM 1452 CB ASP A 92 -4.823 4.253 1.930 1.00 0.00 C ATOM 1453 CG ASP A 92 -4.483 2.872 2.517 1.00 0.00 C ATOM 1454 OD1 ASP A 92 -4.920 1.852 1.935 1.00 0.00 O ATOM 1455 OD2 ASP A 92 -3.783 2.822 3.556 1.00 0.00 O ATOM 0 H ASP A 92 -5.786 6.490 1.381 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.943 3.962 2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.817 4.205 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.063 4.978 2.221 1.00 0.00 H new ATOM 1460 N LEU A 93 -5.677 5.877 4.549 1.00 0.00 N ATOM 1461 CA LEU A 93 -5.559 6.015 6.010 1.00 0.00 C ATOM 1462 C LEU A 93 -6.916 5.967 6.735 1.00 0.00 C ATOM 1463 O LEU A 93 -7.042 5.310 7.769 1.00 0.00 O ATOM 1464 CB LEU A 93 -4.747 7.291 6.319 1.00 0.00 C ATOM 1465 CG LEU A 93 -4.394 7.488 7.812 1.00 0.00 C ATOM 1466 CD1 LEU A 93 -3.087 8.275 7.940 1.00 0.00 C ATOM 1467 CD2 LEU A 93 -5.459 8.279 8.580 1.00 0.00 C ATOM 0 H LEU A 93 -5.294 6.667 4.030 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.023 5.152 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.823 7.266 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.313 8.157 5.976 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.317 6.486 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.845 8.410 8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.282 7.726 7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.202 9.250 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.154 8.384 9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.571 9.267 8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.410 7.749 8.532 1.00 0.00 H new ATOM 1479 N LEU A 94 -7.947 6.601 6.161 1.00 0.00 N ATOM 1480 CA LEU A 94 -9.312 6.599 6.711 1.00 0.00 C ATOM 1481 C LEU A 94 -9.964 5.202 6.671 1.00 0.00 C ATOM 1482 O LEU A 94 -10.791 4.877 7.525 1.00 0.00 O ATOM 1483 CB LEU A 94 -10.175 7.623 5.946 1.00 0.00 C ATOM 1484 CG LEU A 94 -9.696 9.087 6.021 1.00 0.00 C ATOM 1485 CD1 LEU A 94 -10.644 9.977 5.219 1.00 0.00 C ATOM 1486 CD2 LEU A 94 -9.637 9.619 7.454 1.00 0.00 C ATOM 0 H LEU A 94 -7.858 7.134 5.296 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.248 6.881 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.215 7.326 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.193 7.573 6.331 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.687 9.108 5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.305 11.011 5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.655 9.652 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -11.650 9.903 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.293 10.653 7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.630 9.571 7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.946 9.013 8.039 1.00 0.00 H new ATOM 1498 N GLN A 95 -9.567 4.360 5.711 1.00 0.00 N ATOM 1499 CA GLN A 95 -9.984 2.970 5.574 1.00 0.00 C ATOM 1500 C GLN A 95 -9.084 2.008 6.371 1.00 0.00 C ATOM 1501 O GLN A 95 -9.515 0.909 6.709 1.00 0.00 O ATOM 1502 CB GLN A 95 -9.996 2.644 4.072 1.00 0.00 C ATOM 1503 CG GLN A 95 -11.387 2.785 3.432 1.00 0.00 C ATOM 1504 CD GLN A 95 -12.022 4.167 3.606 1.00 0.00 C ATOM 1505 OE1 GLN A 95 -13.075 4.318 4.211 1.00 0.00 O ATOM 1506 NE2 GLN A 95 -11.433 5.228 3.092 1.00 0.00 N ATOM 0 H GLN A 95 -8.918 4.646 4.978 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.980 2.835 5.996 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.298 3.305 3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.637 1.625 3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.308 2.565 2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.051 2.036 3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.555 5.127 2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.856 6.150 3.203 1.00 0.00 H new ATOM 1515 N LEU A 96 -7.858 2.403 6.725 1.00 0.00 N ATOM 1516 CA LEU A 96 -6.928 1.570 7.485 1.00 0.00 C ATOM 1517 C LEU A 96 -7.409 1.377 8.928 1.00 0.00 C ATOM 1518 O LEU A 96 -7.618 0.242 9.347 1.00 0.00 O ATOM 1519 CB LEU A 96 -5.515 2.187 7.385 1.00 0.00 C ATOM 1520 CG LEU A 96 -4.340 1.233 7.680 1.00 0.00 C ATOM 1521 CD1 LEU A 96 -3.024 1.976 7.441 1.00 0.00 C ATOM 1522 CD2 LEU A 96 -4.308 0.687 9.107 1.00 0.00 C ATOM 0 H LEU A 96 -7.481 3.321 6.488 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.886 0.567 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.386 2.591 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.457 3.028 8.076 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.476 0.382 7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.187 1.309 7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.977 2.308 6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.970 2.841 8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.449 0.026 9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.228 1.515 9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.224 0.130 9.304 1.00 0.00 H new ATOM 1534 N VAL A 97 -7.661 2.456 9.673 1.00 0.00 N ATOM 1535 CA VAL A 97 -8.013 2.384 11.107 1.00 0.00 C ATOM 1536 C VAL A 97 -9.205 1.448 11.369 1.00 0.00 C ATOM 1537 O VAL A 97 -9.059 0.451 12.077 1.00 0.00 O ATOM 1538 CB VAL A 97 -8.236 3.793 11.699 1.00 0.00 C ATOM 1539 CG1 VAL A 97 -8.571 3.740 13.196 1.00 0.00 C ATOM 1540 CG2 VAL A 97 -6.982 4.665 11.543 1.00 0.00 C ATOM 0 H VAL A 97 -7.629 3.407 9.306 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.162 1.944 11.627 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.073 4.220 11.146 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.720 4.752 13.572 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -9.482 3.160 13.345 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.749 3.270 13.736 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.169 5.651 11.969 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.147 4.197 12.064 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.739 4.767 10.485 1.00 0.00 H new ATOM 1550 N GLU A 98 -10.370 1.734 10.784 1.00 0.00 N ATOM 1551 CA GLU A 98 -11.571 0.886 10.866 1.00 0.00 C ATOM 1552 C GLU A 98 -11.608 -0.289 9.878 1.00 0.00 C ATOM 1553 O GLU A 98 -11.548 -1.447 10.284 1.00 0.00 O ATOM 1554 CB GLU A 98 -12.816 1.786 10.738 1.00 0.00 C ATOM 1555 CG GLU A 98 -14.146 1.085 11.048 1.00 0.00 C ATOM 1556 CD GLU A 98 -14.356 0.895 12.563 1.00 0.00 C ATOM 1557 OE1 GLU A 98 -13.900 -0.130 13.124 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -14.984 1.774 13.204 1.00 0.00 O ATOM 0 H GLU A 98 -10.512 2.577 10.228 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.551 0.395 11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -12.704 2.637 11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.858 2.184 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.969 1.670 10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -14.168 0.114 10.554 1.00 0.00 H new ATOM 1565 N PHE A 99 -11.647 -0.019 8.570 1.00 0.00 N ATOM 1566 CA PHE A 99 -11.842 -1.051 7.545 1.00 0.00 C ATOM 1567 C PHE A 99 -10.718 -2.064 7.279 1.00 0.00 C ATOM 1568 O PHE A 99 -11.013 -3.031 6.586 1.00 0.00 O ATOM 1569 CB PHE A 99 -12.425 -0.428 6.259 1.00 0.00 C ATOM 1570 CG PHE A 99 -13.797 0.191 6.460 1.00 0.00 C ATOM 1571 CD1 PHE A 99 -14.941 -0.631 6.439 1.00 0.00 C ATOM 1572 CD2 PHE A 99 -13.937 1.574 6.688 1.00 0.00 C ATOM 1573 CE1 PHE A 99 -16.216 -0.074 6.647 1.00 0.00 C ATOM 1574 CE2 PHE A 99 -15.213 2.131 6.898 1.00 0.00 C ATOM 1575 CZ PHE A 99 -16.353 1.307 6.879 1.00 0.00 C ATOM 0 H PHE A 99 -11.544 0.922 8.191 1.00 0.00 H new ATOM 0 HA PHE A 99 -12.569 -1.720 8.005 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -11.740 0.336 5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -12.490 -1.196 5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -14.839 -1.692 6.263 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -13.063 2.209 6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -17.091 -0.707 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -15.317 3.192 7.074 1.00 0.00 H new ATOM 0 HZ PHE A 99 -17.332 1.734 7.042 1.00 0.00 H new ATOM 1585 N HIS A 100 -9.506 -1.998 7.862 1.00 0.00 N ATOM 1586 CA HIS A 100 -8.488 -3.070 7.661 1.00 0.00 C ATOM 1587 C HIS A 100 -9.009 -4.484 7.983 1.00 0.00 C ATOM 1588 O HIS A 100 -8.573 -5.452 7.365 1.00 0.00 O ATOM 1589 CB HIS A 100 -7.193 -2.802 8.459 1.00 0.00 C ATOM 1590 CG HIS A 100 -7.324 -2.997 9.952 1.00 0.00 C ATOM 1591 ND1 HIS A 100 -7.720 -2.046 10.874 1.00 0.00 N ATOM 1592 CD2 HIS A 100 -7.082 -4.158 10.639 1.00 0.00 C ATOM 1593 CE1 HIS A 100 -7.731 -2.613 12.097 1.00 0.00 C ATOM 1594 NE2 HIS A 100 -7.348 -3.902 11.975 1.00 0.00 N ATOM 0 H HIS A 100 -9.203 -1.234 8.466 1.00 0.00 H new ATOM 0 HA HIS A 100 -8.262 -3.038 6.595 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -6.409 -3.462 8.087 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -6.868 -1.780 8.266 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -7.963 -1.078 10.664 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -6.747 -5.095 10.219 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -8.001 -2.119 13.019 1.00 0.00 H new ATOM 1603 N GLN A 101 -9.966 -4.586 8.914 1.00 0.00 N ATOM 1604 CA GLN A 101 -10.639 -5.826 9.335 1.00 0.00 C ATOM 1605 C GLN A 101 -11.478 -6.496 8.227 1.00 0.00 C ATOM 1606 O GLN A 101 -11.629 -7.717 8.215 1.00 0.00 O ATOM 1607 CB GLN A 101 -11.521 -5.496 10.561 1.00 0.00 C ATOM 1608 CG GLN A 101 -12.761 -4.624 10.258 1.00 0.00 C ATOM 1609 CD GLN A 101 -13.435 -4.122 11.540 1.00 0.00 C ATOM 1610 OE1 GLN A 101 -14.249 -4.809 12.147 1.00 0.00 O ATOM 1611 NE2 GLN A 101 -13.132 -2.932 12.016 1.00 0.00 N ATOM 0 H GLN A 101 -10.310 -3.769 9.419 1.00 0.00 H new ATOM 0 HA GLN A 101 -9.868 -6.555 9.583 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.854 -6.431 11.012 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.908 -4.984 11.303 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.465 -3.772 9.646 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.477 -5.202 9.674 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.457 -2.344 11.527 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.572 -2.599 12.874 1.00 0.00 H new ATOM 1620 N LEU A 102 -12.053 -5.686 7.330 1.00 0.00 N ATOM 1621 CA LEU A 102 -12.949 -6.072 6.237 1.00 0.00 C ATOM 1622 C LEU A 102 -12.759 -5.020 5.120 1.00 0.00 C ATOM 1623 O LEU A 102 -13.571 -4.108 4.942 1.00 0.00 O ATOM 1624 CB LEU A 102 -14.375 -6.183 6.828 1.00 0.00 C ATOM 1625 CG LEU A 102 -15.372 -7.005 5.993 1.00 0.00 C ATOM 1626 CD1 LEU A 102 -16.663 -7.208 6.790 1.00 0.00 C ATOM 1627 CD2 LEU A 102 -15.736 -6.319 4.682 1.00 0.00 C ATOM 0 H LEU A 102 -11.894 -4.679 7.351 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.741 -7.042 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.305 -6.627 7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.776 -5.178 6.956 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.888 -7.955 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -17.369 -7.790 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.440 -7.740 7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -17.101 -6.238 7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.442 -6.940 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.191 -5.351 4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.836 -6.175 4.085 1.00 0.00 H new ATOM 1639 N ASN A 103 -11.627 -5.120 4.414 1.00 0.00 N ATOM 1640 CA ASN A 103 -11.181 -4.157 3.402 1.00 0.00 C ATOM 1641 C ASN A 103 -11.299 -4.668 1.949 1.00 0.00 C ATOM 1642 O ASN A 103 -11.945 -5.676 1.660 1.00 0.00 O ATOM 1643 CB ASN A 103 -9.715 -3.804 3.756 1.00 0.00 C ATOM 1644 CG ASN A 103 -9.279 -2.405 3.348 1.00 0.00 C ATOM 1645 OD1 ASN A 103 -10.028 -1.621 2.786 1.00 0.00 O ATOM 1646 ND2 ASN A 103 -8.031 -2.067 3.573 1.00 0.00 N ATOM 0 H ASN A 103 -10.977 -5.897 4.535 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.832 -3.283 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.580 -3.912 4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.056 -4.529 3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.689 -1.152 3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.403 -2.719 4.042 1.00 0.00 H new ATOM 1653 N ARG A 104 -10.664 -3.939 1.021 1.00 0.00 N ATOM 1654 CA ARG A 104 -10.514 -4.269 -0.403 1.00 0.00 C ATOM 1655 C ARG A 104 -9.078 -4.767 -0.650 1.00 0.00 C ATOM 1656 O ARG A 104 -8.215 -4.010 -1.099 1.00 0.00 O ATOM 1657 CB ARG A 104 -10.886 -3.044 -1.266 1.00 0.00 C ATOM 1658 CG ARG A 104 -12.259 -2.413 -0.974 1.00 0.00 C ATOM 1659 CD ARG A 104 -13.419 -3.415 -0.987 1.00 0.00 C ATOM 1660 NE ARG A 104 -14.722 -2.730 -0.840 1.00 0.00 N ATOM 1661 CZ ARG A 104 -15.433 -2.137 -1.785 1.00 0.00 C ATOM 1662 NH1 ARG A 104 -15.054 -2.116 -3.032 1.00 0.00 N ATOM 1663 NH2 ARG A 104 -16.552 -1.536 -1.497 1.00 0.00 N ATOM 0 H ARG A 104 -10.216 -3.054 1.257 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.194 -5.070 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.120 -2.281 -1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.858 -3.340 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.224 -1.925 0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.455 -1.636 -1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.405 -3.979 -1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.290 -4.134 -0.178 1.00 0.00 H new ATOM 0 HE ARG A 104 -15.118 -2.713 0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.182 -2.567 -3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.630 -1.648 -3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -16.889 -1.519 -0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -17.092 -1.082 -2.234 1.00 0.00 H new ATOM 1677 N GLY A 105 -8.802 -6.018 -0.260 1.00 0.00 N ATOM 1678 CA GLY A 105 -7.521 -6.714 -0.503 1.00 0.00 C ATOM 1679 C GLY A 105 -7.269 -7.030 -1.993 1.00 0.00 C ATOM 1680 O GLY A 105 -7.828 -6.395 -2.885 1.00 0.00 O ATOM 0 H GLY A 105 -9.476 -6.593 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.704 -6.098 -0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.507 -7.644 0.066 1.00 0.00 H new ATOM 1684 N ILE A 106 -6.411 -8.017 -2.271 1.00 0.00 N ATOM 1685 CA ILE A 106 -5.964 -8.387 -3.637 1.00 0.00 C ATOM 1686 C ILE A 106 -7.116 -8.860 -4.568 1.00 0.00 C ATOM 1687 O ILE A 106 -8.142 -9.335 -4.076 1.00 0.00 O ATOM 1688 CB ILE A 106 -4.826 -9.429 -3.486 1.00 0.00 C ATOM 1689 CG1 ILE A 106 -3.712 -9.386 -4.552 1.00 0.00 C ATOM 1690 CG2 ILE A 106 -5.364 -10.849 -3.269 1.00 0.00 C ATOM 1691 CD1 ILE A 106 -4.021 -9.867 -5.975 1.00 0.00 C ATOM 0 H ILE A 106 -5.994 -8.599 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.588 -7.500 -4.148 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.316 -9.112 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.364 -8.355 -4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.877 -9.979 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.529 -11.543 -3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.968 -10.875 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.977 -11.140 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.129 -9.769 -6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.330 -10.912 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.824 -9.263 -6.397 1.00 0.00 H new ATOM 1703 N LEU A 107 -6.912 -8.798 -5.902 1.00 0.00 N ATOM 1704 CA LEU A 107 -7.846 -9.255 -6.963 1.00 0.00 C ATOM 1705 C LEU A 107 -8.800 -10.433 -6.569 1.00 0.00 C ATOM 1706 O LEU A 107 -10.003 -10.150 -6.537 1.00 0.00 O ATOM 1707 CB LEU A 107 -7.047 -9.577 -8.250 1.00 0.00 C ATOM 1708 CG LEU A 107 -6.831 -8.420 -9.232 1.00 0.00 C ATOM 1709 CD1 LEU A 107 -5.804 -8.840 -10.284 1.00 0.00 C ATOM 1710 CD2 LEU A 107 -8.136 -8.058 -9.939 1.00 0.00 C ATOM 0 H LEU A 107 -6.052 -8.410 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.529 -8.423 -7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.070 -9.962 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.561 -10.380 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.477 -7.553 -8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.646 -8.021 -10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.861 -9.085 -9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.171 -9.713 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.959 -7.235 -10.631 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.503 -8.923 -10.491 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.879 -7.757 -9.200 1.00 0.00 H new ATOM 1722 N PRO A 108 -8.375 -11.694 -6.247 1.00 0.00 N ATOM 1723 CA PRO A 108 -9.337 -12.767 -5.925 1.00 0.00 C ATOM 1724 C PRO A 108 -9.243 -13.407 -4.517 1.00 0.00 C ATOM 1725 O PRO A 108 -10.225 -14.008 -4.070 1.00 0.00 O ATOM 1726 CB PRO A 108 -9.048 -13.817 -6.996 1.00 0.00 C ATOM 1727 CG PRO A 108 -7.525 -13.784 -7.098 1.00 0.00 C ATOM 1728 CD PRO A 108 -7.141 -12.358 -6.688 1.00 0.00 C ATOM 0 HA PRO A 108 -10.344 -12.349 -5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -9.413 -14.802 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.523 -13.568 -7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -7.068 -14.523 -6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.191 -14.009 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.403 -12.372 -5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.693 -11.823 -7.525 1.00 0.00 H new ATOM 1736 N CYS A 109 -8.103 -13.324 -3.815 1.00 0.00 N ATOM 1737 CA CYS A 109 -7.830 -13.971 -2.536 1.00 0.00 C ATOM 1738 C CYS A 109 -8.298 -13.157 -1.300 1.00 0.00 C ATOM 1739 O CYS A 109 -9.348 -12.509 -1.342 1.00 0.00 O ATOM 1740 CB CYS A 109 -6.329 -14.291 -2.574 1.00 0.00 C ATOM 1741 SG CYS A 109 -5.893 -15.379 -3.966 1.00 0.00 S ATOM 0 H CYS A 109 -7.310 -12.774 -4.146 1.00 0.00 H new ATOM 0 HA CYS A 109 -8.416 -14.881 -2.410 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.763 -13.362 -2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -6.037 -14.767 -1.638 1.00 0.00 H new ATOM 0 HG CYS A 109 -4.866 -16.108 -3.642 1.00 0.00 H new ATOM 1747 N LEU A 110 -7.563 -13.219 -0.175 1.00 0.00 N ATOM 1748 CA LEU A 110 -7.943 -12.594 1.106 1.00 0.00 C ATOM 1749 C LEU A 110 -8.159 -11.070 1.000 1.00 0.00 C ATOM 1750 O LEU A 110 -7.411 -10.359 0.324 1.00 0.00 O ATOM 1751 CB LEU A 110 -6.916 -12.942 2.211 1.00 0.00 C ATOM 1752 CG LEU A 110 -7.065 -14.313 2.907 1.00 0.00 C ATOM 1753 CD1 LEU A 110 -8.351 -14.400 3.730 1.00 0.00 C ATOM 1754 CD2 LEU A 110 -7.016 -15.504 1.950 1.00 0.00 C ATOM 0 H LEU A 110 -6.672 -13.714 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.910 -13.014 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.919 -12.892 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.968 -12.167 2.976 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.197 -14.376 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.415 -15.380 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.344 -13.627 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.211 -14.255 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.127 -16.430 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.826 -15.422 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.060 -15.511 1.427 1.00 0.00 H new ATOM 1766 N LEU A 111 -9.172 -10.578 1.731 1.00 0.00 N ATOM 1767 CA LEU A 111 -9.640 -9.185 1.697 1.00 0.00 C ATOM 1768 C LEU A 111 -9.261 -8.285 2.890 1.00 0.00 C ATOM 1769 O LEU A 111 -9.470 -7.077 2.812 1.00 0.00 O ATOM 1770 CB LEU A 111 -11.148 -9.167 1.340 1.00 0.00 C ATOM 1771 CG LEU A 111 -12.224 -9.628 2.352 1.00 0.00 C ATOM 1772 CD1 LEU A 111 -12.051 -11.068 2.842 1.00 0.00 C ATOM 1773 CD2 LEU A 111 -12.366 -8.733 3.585 1.00 0.00 C ATOM 0 H LEU A 111 -9.703 -11.157 2.381 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.071 -8.694 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.395 -8.143 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.270 -9.780 0.447 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.132 -9.555 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -12.846 -11.310 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.099 -11.750 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -11.084 -11.171 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.142 -9.133 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.419 -8.703 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.638 -7.725 3.273 1.00 0.00 H new ATOM 1785 N ARG A 112 -8.702 -8.835 3.977 1.00 0.00 N ATOM 1786 CA ARG A 112 -8.322 -8.083 5.199 1.00 0.00 C ATOM 1787 C ARG A 112 -6.806 -7.899 5.326 1.00 0.00 C ATOM 1788 O ARG A 112 -6.052 -8.786 4.928 1.00 0.00 O ATOM 1789 CB ARG A 112 -8.969 -8.722 6.443 1.00 0.00 C ATOM 1790 CG ARG A 112 -8.481 -10.140 6.779 1.00 0.00 C ATOM 1791 CD ARG A 112 -9.235 -10.677 8.003 1.00 0.00 C ATOM 1792 NE ARG A 112 -8.781 -12.034 8.369 1.00 0.00 N ATOM 1793 CZ ARG A 112 -9.272 -12.793 9.333 1.00 0.00 C ATOM 1794 NH1 ARG A 112 -10.257 -12.396 10.090 1.00 0.00 N ATOM 1795 NH2 ARG A 112 -8.781 -13.979 9.558 1.00 0.00 N ATOM 0 H ARG A 112 -8.494 -9.832 4.041 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.718 -7.071 5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -8.782 -8.078 7.302 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.049 -8.752 6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -8.639 -10.800 5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -7.409 -10.127 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.087 -10.003 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -10.304 -10.695 7.793 1.00 0.00 H new ATOM 0 HE ARG A 112 -8.012 -12.424 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.671 -11.475 9.946 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -10.613 -13.006 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -8.011 -14.329 8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -9.167 -14.557 10.304 1.00 0.00 H new ATOM 1809 N HIS A 113 -6.366 -6.776 5.897 1.00 0.00 N ATOM 1810 CA HIS A 113 -4.951 -6.373 6.004 1.00 0.00 C ATOM 1811 C HIS A 113 -4.402 -6.388 7.431 1.00 0.00 C ATOM 1812 O HIS A 113 -5.130 -6.215 8.410 1.00 0.00 O ATOM 1813 CB HIS A 113 -4.726 -4.983 5.393 1.00 0.00 C ATOM 1814 CG HIS A 113 -5.160 -4.838 3.962 1.00 0.00 C ATOM 1815 ND1 HIS A 113 -6.466 -4.612 3.536 1.00 0.00 N ATOM 1816 CD2 HIS A 113 -4.334 -4.851 2.880 1.00 0.00 C ATOM 1817 CE1 HIS A 113 -6.400 -4.507 2.199 1.00 0.00 C ATOM 1818 NE2 HIS A 113 -5.132 -4.640 1.779 1.00 0.00 N ATOM 0 H HIS A 113 -7.001 -6.095 6.313 1.00 0.00 H new ATOM 0 HA HIS A 113 -4.401 -7.128 5.443 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -5.260 -4.248 5.995 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -3.665 -4.741 5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -3.264 -4.998 2.885 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -7.248 -4.339 1.552 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -4.815 -4.593 0.811 1.00 0.00 H new ATOM 1826 N CYS A 114 -3.087 -6.584 7.516 1.00 0.00 N ATOM 1827 CA CYS A 114 -2.285 -6.657 8.734 1.00 0.00 C ATOM 1828 C CYS A 114 -0.917 -5.949 8.538 1.00 0.00 C ATOM 1829 O CYS A 114 -0.610 -5.474 7.443 1.00 0.00 O ATOM 1830 CB CYS A 114 -2.128 -8.135 9.148 1.00 0.00 C ATOM 1831 SG CYS A 114 -3.473 -9.259 8.629 1.00 0.00 S ATOM 0 H CYS A 114 -2.517 -6.704 6.679 1.00 0.00 H new ATOM 0 HA CYS A 114 -2.791 -6.129 9.542 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -1.190 -8.509 8.738 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -2.042 -8.181 10.234 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.213 -10.465 9.039 1.00 0.00 H new ATOM 1837 N CYS A 115 -0.057 -5.926 9.562 1.00 0.00 N ATOM 1838 CA CYS A 115 1.224 -5.192 9.535 1.00 0.00 C ATOM 1839 C CYS A 115 2.434 -6.097 9.217 1.00 0.00 C ATOM 1840 O CYS A 115 2.685 -7.083 9.913 1.00 0.00 O ATOM 1841 CB CYS A 115 1.405 -4.450 10.870 1.00 0.00 C ATOM 1842 SG CYS A 115 0.214 -3.081 10.984 1.00 0.00 S ATOM 0 H CYS A 115 -0.226 -6.417 10.440 1.00 0.00 H new ATOM 0 HA CYS A 115 1.183 -4.471 8.719 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.260 -5.140 11.702 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.422 -4.066 10.948 1.00 0.00 H new ATOM 0 HG CYS A 115 0.373 -2.461 12.115 1.00 0.00 H new ATOM 1848 N THR A 116 3.193 -5.743 8.169 1.00 0.00 N ATOM 1849 CA THR A 116 4.330 -6.515 7.616 1.00 0.00 C ATOM 1850 C THR A 116 5.718 -5.972 8.006 1.00 0.00 C ATOM 1851 O THR A 116 5.820 -4.999 8.756 1.00 0.00 O ATOM 1852 CB THR A 116 4.154 -6.615 6.094 1.00 0.00 C ATOM 1853 OG1 THR A 116 4.882 -7.713 5.595 1.00 0.00 O ATOM 1854 CG2 THR A 116 4.580 -5.369 5.315 1.00 0.00 C ATOM 0 H THR A 116 3.029 -4.876 7.658 1.00 0.00 H new ATOM 0 HA THR A 116 4.307 -7.508 8.064 1.00 0.00 H new ATOM 0 HB THR A 116 3.081 -6.733 5.943 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.763 -7.770 4.624 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.419 -5.533 4.250 1.00 0.00 H new ATOM 0 HG22 THR A 116 3.988 -4.515 5.644 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.636 -5.170 5.496 1.00 0.00 H new ATOM 1862 N ARG A 117 6.799 -6.590 7.498 1.00 0.00 N ATOM 1863 CA ARG A 117 8.186 -6.128 7.705 1.00 0.00 C ATOM 1864 C ARG A 117 8.407 -4.752 7.056 1.00 0.00 C ATOM 1865 O ARG A 117 8.097 -4.557 5.879 1.00 0.00 O ATOM 1866 CB ARG A 117 9.186 -7.160 7.152 1.00 0.00 C ATOM 1867 CG ARG A 117 9.103 -8.517 7.876 1.00 0.00 C ATOM 1868 CD ARG A 117 10.129 -9.527 7.340 1.00 0.00 C ATOM 1869 NE ARG A 117 11.523 -9.130 7.639 1.00 0.00 N ATOM 1870 CZ ARG A 117 12.206 -9.356 8.751 1.00 0.00 C ATOM 1871 NH1 ARG A 117 11.687 -9.973 9.775 1.00 0.00 N ATOM 1872 NH2 ARG A 117 13.441 -8.956 8.855 1.00 0.00 N ATOM 0 H ARG A 117 6.735 -7.432 6.926 1.00 0.00 H new ATOM 0 HA ARG A 117 8.356 -6.026 8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.998 -7.308 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.198 -6.765 7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.267 -8.368 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.099 -8.927 7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.932 -10.506 7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.006 -9.627 6.262 1.00 0.00 H new ATOM 0 HE ARG A 117 12.015 -8.623 6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.722 -10.301 9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.246 -10.128 10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.886 -8.467 8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.964 -9.132 9.713 1.00 0.00 H new ATOM 1966 N PRO B1137 1.859 -8.587 -11.862 1.00 0.00 N ATOM 1967 CA PRO B1137 1.562 -7.181 -12.180 1.00 0.00 C ATOM 1968 C PRO B1137 2.703 -6.231 -11.746 1.00 0.00 C ATOM 1969 O PRO B1137 3.788 -6.678 -11.381 1.00 0.00 O ATOM 1970 CB PRO B1137 0.239 -6.911 -11.449 1.00 0.00 C ATOM 1971 CG PRO B1137 0.390 -7.731 -10.175 1.00 0.00 C ATOM 1972 CD PRO B1137 1.102 -8.985 -10.680 1.00 0.00 C ATOM 0 HA PRO B1137 1.476 -6.999 -13.251 1.00 0.00 H new ATOM 0 HB2 PRO B1137 0.103 -5.851 -11.235 1.00 0.00 H new ATOM 0 HB3 PRO B1137 -0.621 -7.230 -12.037 1.00 0.00 H new ATOM 0 HG2 PRO B1137 0.976 -7.206 -9.420 1.00 0.00 H new ATOM 0 HG3 PRO B1137 -0.575 -7.964 -9.724 1.00 0.00 H new ATOM 0 HD2 PRO B1137 1.764 -9.390 -9.914 1.00 0.00 H new ATOM 0 HD3 PRO B1137 0.383 -9.767 -10.925 1.00 0.00 H new ATOM 1980 N GLU B1138 2.467 -4.915 -11.816 1.00 0.00 N ATOM 1981 CA GLU B1138 3.487 -3.891 -11.542 1.00 0.00 C ATOM 1982 C GLU B1138 2.938 -2.719 -10.705 1.00 0.00 C ATOM 1983 O GLU B1138 3.263 -2.662 -9.522 1.00 0.00 O ATOM 1984 CB GLU B1138 4.138 -3.449 -12.865 1.00 0.00 C ATOM 1985 CG GLU B1138 5.606 -3.071 -12.708 1.00 0.00 C ATOM 1986 CD GLU B1138 6.500 -4.323 -12.658 1.00 0.00 C ATOM 1987 OE1 GLU B1138 6.882 -4.842 -13.732 1.00 0.00 O ATOM 1988 OE2 GLU B1138 6.805 -4.826 -11.551 1.00 0.00 O ATOM 0 H GLU B1138 1.558 -4.527 -12.066 1.00 0.00 H new ATOM 0 HA GLU B1138 4.266 -4.328 -10.917 1.00 0.00 H new ATOM 0 HB2 GLU B1138 4.052 -4.255 -13.593 1.00 0.00 H new ATOM 0 HB3 GLU B1138 3.590 -2.597 -13.267 1.00 0.00 H new ATOM 0 HG2 GLU B1138 5.912 -2.435 -13.539 1.00 0.00 H new ATOM 0 HG3 GLU B1138 5.739 -2.489 -11.796 1.00 0.00 H new ATOM 2019 N VAL B1140 -0.595 -2.006 -10.502 1.00 0.00 N ATOM 2020 CA VAL B1140 -1.890 -2.772 -10.382 1.00 0.00 C ATOM 2021 C VAL B1140 -3.114 -2.158 -10.941 1.00 0.00 C ATOM 2022 O VAL B1140 -4.012 -2.910 -11.308 1.00 0.00 O ATOM 2023 CB VAL B1140 -2.142 -3.354 -8.969 1.00 0.00 C ATOM 2024 CG1 VAL B1140 -3.467 -4.007 -8.605 1.00 0.00 C ATOM 2025 CG2 VAL B1140 -1.101 -4.467 -8.742 1.00 0.00 C ATOM 0 HA VAL B1140 -1.691 -3.596 -11.067 1.00 0.00 H new ATOM 0 HB VAL B1140 -2.104 -2.452 -8.358 1.00 0.00 H new ATOM 0 HG11 VAL B1140 -3.433 -4.346 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL B1140 -4.274 -3.284 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL B1140 -3.645 -4.860 -9.261 1.00 0.00 H new ATOM 0 HG21 VAL B1140 -1.245 -4.904 -7.754 1.00 0.00 H new ATOM 0 HG22 VAL B1140 -1.222 -5.239 -9.502 1.00 0.00 H new ATOM 0 HG23 VAL B1140 -0.098 -4.046 -8.810 1.00 0.00 H new ATOM 2035 N ASN B1141 -3.164 -0.837 -11.081 1.00 0.00 N ATOM 2036 CA ASN B1141 -4.260 -0.295 -11.877 1.00 0.00 C ATOM 2037 C ASN B1141 -3.990 -1.042 -13.246 1.00 0.00 C ATOM 2038 O ASN B1141 -4.919 -1.424 -13.955 1.00 0.00 O ATOM 2039 CB ASN B1141 -4.237 1.233 -11.923 1.00 0.00 C ATOM 2040 CG ASN B1141 -4.155 1.930 -10.571 1.00 0.00 C ATOM 2041 OD1 ASN B1141 -5.099 2.522 -10.093 1.00 0.00 O ATOM 2042 ND2 ASN B1141 -3.025 1.912 -9.894 1.00 0.00 N ATOM 0 H ASN B1141 -2.509 -0.162 -10.685 1.00 0.00 H new ATOM 0 HA ASN B1141 -5.269 -0.463 -11.501 1.00 0.00 H new ATOM 0 HB2 ASN B1141 -3.386 1.548 -12.526 1.00 0.00 H new ATOM 0 HB3 ASN B1141 -5.135 1.577 -12.435 1.00 0.00 H new ATOM 0 HD21 ASN B1141 -2.962 2.388 -8.994 1.00 0.00 H new ATOM 0 HD22 ASN B1141 -2.213 1.422 -10.270 1.00 0.00 H new ATOM 2049 N GLN B1142 -2.686 -1.377 -13.496 1.00 0.00 N ATOM 2050 CA GLN B1142 -2.127 -2.205 -14.521 1.00 0.00 C ATOM 2051 C GLN B1142 -0.878 -2.976 -14.065 1.00 0.00 C ATOM 2052 O GLN B1142 -0.220 -2.566 -13.112 1.00 0.00 O ATOM 2053 CB GLN B1142 -1.634 -1.280 -15.640 1.00 0.00 C ATOM 2054 CG GLN B1142 -2.626 -0.572 -16.593 1.00 0.00 C ATOM 2055 CD GLN B1142 -3.504 0.559 -16.036 1.00 0.00 C ATOM 2056 OE1 GLN B1142 -4.724 0.509 -16.079 1.00 0.00 O ATOM 2057 NE2 GLN B1142 -2.965 1.666 -15.559 1.00 0.00 N ATOM 0 H GLN B1142 -1.948 -1.012 -12.893 1.00 0.00 H new ATOM 0 HA GLN B1142 -2.901 -2.913 -14.816 1.00 0.00 H new ATOM 0 HB2 GLN B1142 -1.036 -0.501 -15.168 1.00 0.00 H new ATOM 0 HB3 GLN B1142 -0.959 -1.867 -16.263 1.00 0.00 H new ATOM 0 HG2 GLN B1142 -2.052 -0.165 -17.425 1.00 0.00 H new ATOM 0 HG3 GLN B1142 -3.289 -1.333 -17.005 1.00 0.00 H new ATOM 0 HE21 GLN B1142 -1.951 1.756 -15.503 1.00 0.00 H new ATOM 0 HE22 GLN B1142 -3.563 2.431 -15.247 1.00 0.00 H new ATOM 2066 N PRO B1143 -0.389 -3.945 -14.862 1.00 0.00 N ATOM 2067 CA PRO B1143 1.040 -4.273 -14.994 1.00 0.00 C ATOM 2068 C PRO B1143 1.906 -3.109 -15.559 1.00 0.00 C ATOM 2069 O PRO B1143 2.797 -3.299 -16.389 1.00 0.00 O ATOM 2070 CB PRO B1143 1.085 -5.543 -15.866 1.00 0.00 C ATOM 2071 CG PRO B1143 -0.336 -6.105 -15.789 1.00 0.00 C ATOM 2072 CD PRO B1143 -1.177 -4.835 -15.697 1.00 0.00 C ATOM 0 HA PRO B1143 1.489 -4.444 -14.016 1.00 0.00 H new ATOM 0 HB2 PRO B1143 1.366 -5.310 -16.893 1.00 0.00 H new ATOM 0 HB3 PRO B1143 1.817 -6.258 -15.490 1.00 0.00 H new ATOM 0 HG2 PRO B1143 -0.588 -6.698 -16.668 1.00 0.00 H new ATOM 0 HG3 PRO B1143 -0.473 -6.749 -14.920 1.00 0.00 H new ATOM 0 HD2 PRO B1143 -1.355 -4.403 -16.682 1.00 0.00 H new ATOM 0 HD3 PRO B1143 -2.153 -5.035 -15.255 1.00 0.00 H new ATOM 2080 N ASP B1144 1.601 -1.901 -15.075 1.00 0.00 N ATOM 2081 CA ASP B1144 2.077 -0.556 -15.399 1.00 0.00 C ATOM 2082 C ASP B1144 2.186 -0.236 -16.911 1.00 0.00 C ATOM 2083 O ASP B1144 1.123 -0.001 -17.533 1.00 0.00 O ATOM 2084 CB ASP B1144 3.344 -0.220 -14.590 1.00 0.00 C ATOM 2085 CG ASP B1144 3.841 1.234 -14.730 1.00 0.00 C ATOM 2086 OD1 ASP B1144 3.046 2.156 -15.046 1.00 0.00 O ATOM 2087 OD2 ASP B1144 5.047 1.452 -14.454 1.00 0.00 O ATOM 2088 OXT ASP B1144 3.307 -0.206 -17.476 1.00 0.00 O ATOM 0 H ASP B1144 0.906 -1.840 -14.331 1.00 0.00 H new ATOM 0 HA ASP B1144 1.291 0.129 -15.081 1.00 0.00 H new ATOM 0 HB2 ASP B1144 3.148 -0.421 -13.537 1.00 0.00 H new ATOM 0 HB3 ASP B1144 4.144 -0.893 -14.900 1.00 0.00 H new