USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=17 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 36 GLN : amide:sc= 0.609 K(o=0.61,f=-1.4!) USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 68 TYR OH : rot 10:sc= 1.03 USER MOD Set 2.2: A 83 MET CE :methyl 171:sc= 0 (180deg=-0.1) USER MOD Set 2.3: A 88 THR OG1 : rot 110:sc= 0 USER MOD Set 3.1: A 29 SER OG : rot -106:sc= 0.875 USER MOD Set 3.2: A 67 HIS : no HD1:sc= -2.07 K(o=-1.2,f=-7.9!) USER MOD Set 4.1: A 48 SER OG : rot -100:sc= 0.386 USER MOD Set 4.2: A 51 ASN : amide:sc= -0.577 K(o=-0.19,f=0.39) USER MOD Single : A 21 HIS : no HD1:sc= 0.672 K(o=0.67,f=-4.1!) USER MOD Single : A 25 SER OG : rot 130:sc= 0.696 USER MOD Single : A 30 GLN : amide:sc= 0.634 K(o=0.63,f=-0.58) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.49) USER MOD Single : A 53 GLN : amide:sc= -0.0228 X(o=-0.023,f=-0.44) USER MOD Single : A 58 SER OG : rot -7:sc= 0.233 USER MOD Single : A 60 CYS SG : rot 110:sc= -0.0172 USER MOD Single : A 61 HIS : no HD1:sc= -1.17! C(o=-1.2!,f=-9.4!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 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 0:sc= 1.07 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.804 K(o=0.8,f=-4.4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0236 X(o=-0.024,f=0.0042) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 GLN : amide:sc= -0.0407 K(o=-0.041,f=-3.3!) USER MOD Single : A 103 ASN : amide:sc= 0.755 K(o=0.75,f=-5.2!) USER MOD Single : A 109 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HE2:sc= -0.071 K(o=-0.071,f=-0.68) USER MOD Single : A 114 CYS SG : rot 180:sc= -0.116 USER MOD Single : A 115 CYS SG : rot -146:sc= 0.276 USER MOD Single : B1141 ASN : amide:sc= -0.528 K(o=-0.53,f=-9.6!) USER MOD Single : B1142 GLN : amide:sc= 0.0759 K(o=0.076,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 248 N TRP A 19 5.354 2.270 8.894 1.00 0.00 N ATOM 249 CA TRP A 19 5.004 1.448 7.720 1.00 0.00 C ATOM 250 C TRP A 19 4.984 2.258 6.405 1.00 0.00 C ATOM 251 O TRP A 19 4.335 1.862 5.433 1.00 0.00 O ATOM 252 CB TRP A 19 3.681 0.702 7.979 1.00 0.00 C ATOM 253 CG TRP A 19 3.649 -0.212 9.171 1.00 0.00 C ATOM 254 CD1 TRP A 19 2.662 -0.238 10.095 1.00 0.00 C ATOM 255 CD2 TRP A 19 4.598 -1.255 9.578 1.00 0.00 C ATOM 256 NE1 TRP A 19 2.940 -1.196 11.050 1.00 0.00 N ATOM 257 CE2 TRP A 19 4.137 -1.825 10.806 1.00 0.00 C ATOM 258 CE3 TRP A 19 5.792 -1.794 9.046 1.00 0.00 C ATOM 259 CZ2 TRP A 19 4.829 -2.843 11.480 1.00 0.00 C ATOM 260 CZ3 TRP A 19 6.498 -2.814 9.716 1.00 0.00 C ATOM 261 CH2 TRP A 19 6.021 -3.338 10.931 1.00 0.00 C ATOM 0 HA TRP A 19 5.791 0.707 7.580 1.00 0.00 H new ATOM 0 HB2 TRP A 19 2.889 1.442 8.095 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.441 0.115 7.092 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.787 0.396 10.087 1.00 0.00 H new ATOM 0 HE1 TRP A 19 2.331 -1.410 11.840 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.171 -1.417 8.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.449 -3.240 12.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.414 -3.197 9.292 1.00 0.00 H new ATOM 0 HH2 TRP A 19 6.570 -4.117 11.439 1.00 0.00 H new ATOM 272 N PHE A 20 5.696 3.393 6.376 1.00 0.00 N ATOM 273 CA PHE A 20 5.717 4.348 5.265 1.00 0.00 C ATOM 274 C PHE A 20 7.156 4.674 4.814 1.00 0.00 C ATOM 275 O PHE A 20 8.009 5.067 5.611 1.00 0.00 O ATOM 276 CB PHE A 20 4.945 5.617 5.668 1.00 0.00 C ATOM 277 CG PHE A 20 3.477 5.406 6.022 1.00 0.00 C ATOM 278 CD1 PHE A 20 3.103 5.060 7.338 1.00 0.00 C ATOM 279 CD2 PHE A 20 2.478 5.583 5.047 1.00 0.00 C ATOM 280 CE1 PHE A 20 1.748 4.884 7.670 1.00 0.00 C ATOM 281 CE2 PHE A 20 1.121 5.412 5.380 1.00 0.00 C ATOM 282 CZ PHE A 20 0.756 5.057 6.691 1.00 0.00 C ATOM 0 H PHE A 20 6.292 3.679 7.153 1.00 0.00 H new ATOM 0 HA PHE A 20 5.225 3.894 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.446 6.070 6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.004 6.333 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.862 4.930 8.095 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.754 5.851 4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.470 4.616 8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.359 5.554 4.628 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.285 4.918 6.944 1.00 0.00 H new ATOM 292 N HIS A 21 7.418 4.508 3.514 1.00 0.00 N ATOM 293 CA HIS A 21 8.690 4.791 2.820 1.00 0.00 C ATOM 294 C HIS A 21 8.381 5.400 1.442 1.00 0.00 C ATOM 295 O HIS A 21 7.288 5.143 0.941 1.00 0.00 O ATOM 296 CB HIS A 21 9.462 3.462 2.682 1.00 0.00 C ATOM 297 CG HIS A 21 10.931 3.634 2.404 1.00 0.00 C ATOM 298 ND1 HIS A 21 11.482 3.986 1.167 1.00 0.00 N ATOM 299 CD2 HIS A 21 11.940 3.455 3.304 1.00 0.00 C ATOM 300 CE1 HIS A 21 12.814 4.005 1.353 1.00 0.00 C ATOM 301 NE2 HIS A 21 13.116 3.695 2.625 1.00 0.00 N ATOM 0 H HIS A 21 6.708 4.151 2.874 1.00 0.00 H new ATOM 0 HA HIS A 21 9.299 5.502 3.378 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.341 2.886 3.600 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.016 2.877 1.878 1.00 0.00 H new ATOM 0 HD2 HIS A 21 11.838 3.180 4.343 1.00 0.00 H new ATOM 0 HE1 HIS A 21 13.539 4.237 0.587 1.00 0.00 H new ATOM 0 HE2 HIS A 21 14.055 3.646 3.021 1.00 0.00 H new ATOM 309 N GLY A 22 9.244 6.168 0.765 1.00 0.00 N ATOM 310 CA GLY A 22 8.917 6.605 -0.583 1.00 0.00 C ATOM 311 C GLY A 22 10.101 6.598 -1.535 1.00 0.00 C ATOM 312 O GLY A 22 10.169 7.445 -2.412 1.00 0.00 O ATOM 0 H GLY A 22 10.145 6.488 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.136 5.959 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.505 7.613 -0.538 1.00 0.00 H new ATOM 316 N ARG A 23 11.049 5.668 -1.370 1.00 0.00 N ATOM 317 CA ARG A 23 12.181 5.458 -2.295 1.00 0.00 C ATOM 318 C ARG A 23 12.549 3.966 -2.367 1.00 0.00 C ATOM 319 O ARG A 23 13.703 3.560 -2.248 1.00 0.00 O ATOM 320 CB ARG A 23 13.365 6.403 -1.976 1.00 0.00 C ATOM 321 CG ARG A 23 14.409 6.409 -3.117 1.00 0.00 C ATOM 322 CD ARG A 23 15.415 7.562 -3.028 1.00 0.00 C ATOM 323 NE ARG A 23 16.266 7.473 -1.822 1.00 0.00 N ATOM 324 CZ ARG A 23 17.390 6.789 -1.674 1.00 0.00 C ATOM 325 NH1 ARG A 23 17.897 6.057 -2.627 1.00 0.00 N ATOM 326 NH2 ARG A 23 18.034 6.827 -0.542 1.00 0.00 N ATOM 0 H ARG A 23 11.056 5.026 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 23 11.876 5.737 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.992 7.415 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.842 6.090 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.952 5.464 -3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.889 6.466 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.046 7.560 -3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.878 8.510 -3.022 1.00 0.00 H new ATOM 0 HE ARG A 23 15.950 8.001 -1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.425 5.996 -3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.766 5.546 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.672 7.384 0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.900 6.299 -0.430 1.00 0.00 H new ATOM 340 N ILE A 24 11.514 3.145 -2.539 1.00 0.00 N ATOM 341 CA ILE A 24 11.623 1.695 -2.749 1.00 0.00 C ATOM 342 C ILE A 24 10.598 1.282 -3.820 1.00 0.00 C ATOM 343 O ILE A 24 9.625 0.572 -3.576 1.00 0.00 O ATOM 344 CB ILE A 24 11.617 0.946 -1.392 1.00 0.00 C ATOM 345 CG1 ILE A 24 12.109 -0.504 -1.600 1.00 0.00 C ATOM 346 CG2 ILE A 24 10.277 1.030 -0.651 1.00 0.00 C ATOM 347 CD1 ILE A 24 12.055 -1.393 -0.351 1.00 0.00 C ATOM 0 H ILE A 24 10.549 3.475 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 24 12.583 1.391 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 24 12.315 1.453 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.508 -0.967 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.137 -0.474 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.346 0.484 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.039 2.074 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.492 0.592 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.420 -2.390 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.680 -0.961 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.026 -1.461 0.003 1.00 0.00 H new ATOM 359 N SER A 25 10.807 1.837 -5.019 1.00 0.00 N ATOM 360 CA SER A 25 9.945 1.711 -6.209 1.00 0.00 C ATOM 361 C SER A 25 9.540 0.261 -6.496 1.00 0.00 C ATOM 362 O SER A 25 10.266 -0.665 -6.142 1.00 0.00 O ATOM 363 CB SER A 25 10.690 2.315 -7.411 1.00 0.00 C ATOM 364 OG SER A 25 9.889 2.326 -8.575 1.00 0.00 O ATOM 0 H SER A 25 11.625 2.419 -5.199 1.00 0.00 H new ATOM 0 HA SER A 25 9.017 2.251 -6.022 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.999 3.333 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.598 1.743 -7.600 1.00 0.00 H new ATOM 0 HG SER A 25 9.905 3.221 -8.975 1.00 0.00 H new ATOM 370 N ARG A 26 8.392 0.056 -7.150 1.00 0.00 N ATOM 371 CA ARG A 26 7.757 -1.250 -7.436 1.00 0.00 C ATOM 372 C ARG A 26 8.683 -2.395 -7.873 1.00 0.00 C ATOM 373 O ARG A 26 8.480 -3.537 -7.462 1.00 0.00 O ATOM 374 CB ARG A 26 6.581 -1.021 -8.416 1.00 0.00 C ATOM 375 CG ARG A 26 6.920 -0.704 -9.883 1.00 0.00 C ATOM 376 CD ARG A 26 7.753 0.565 -10.109 1.00 0.00 C ATOM 377 NE ARG A 26 7.892 0.884 -11.542 1.00 0.00 N ATOM 378 CZ ARG A 26 8.874 1.550 -12.119 1.00 0.00 C ATOM 379 NH1 ARG A 26 9.836 2.122 -11.448 1.00 0.00 N ATOM 380 NH2 ARG A 26 8.878 1.677 -13.410 1.00 0.00 N ATOM 0 H ARG A 26 7.845 0.835 -7.517 1.00 0.00 H new ATOM 0 HA ARG A 26 7.397 -1.627 -6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.955 -1.913 -8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.976 -0.202 -8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.460 -1.552 -10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.988 -0.610 -10.441 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.284 1.404 -9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.741 0.434 -9.669 1.00 0.00 H new ATOM 0 HE ARG A 26 7.147 0.553 -12.155 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.851 2.065 -10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.573 2.626 -11.942 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.128 1.265 -13.965 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.631 2.189 -13.870 1.00 0.00 H new ATOM 394 N GLU A 27 9.731 -2.095 -8.639 1.00 0.00 N ATOM 395 CA GLU A 27 10.718 -3.086 -9.096 1.00 0.00 C ATOM 396 C GLU A 27 11.700 -3.524 -7.991 1.00 0.00 C ATOM 397 O GLU A 27 12.127 -4.677 -7.967 1.00 0.00 O ATOM 398 CB GLU A 27 11.492 -2.522 -10.297 1.00 0.00 C ATOM 399 CG GLU A 27 10.601 -2.287 -11.522 1.00 0.00 C ATOM 400 CD GLU A 27 11.456 -1.934 -12.751 1.00 0.00 C ATOM 401 OE1 GLU A 27 12.017 -2.866 -13.379 1.00 0.00 O ATOM 402 OE2 GLU A 27 11.582 -0.732 -13.090 1.00 0.00 O ATOM 0 H GLU A 27 9.925 -1.149 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 27 10.163 -3.979 -9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.963 -1.582 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.293 -3.212 -10.563 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.011 -3.180 -11.727 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.897 -1.480 -11.318 1.00 0.00 H new ATOM 409 N GLU A 28 12.063 -2.621 -7.072 1.00 0.00 N ATOM 410 CA GLU A 28 12.902 -2.916 -5.901 1.00 0.00 C ATOM 411 C GLU A 28 12.098 -3.529 -4.748 1.00 0.00 C ATOM 412 O GLU A 28 12.494 -4.549 -4.181 1.00 0.00 O ATOM 413 CB GLU A 28 13.645 -1.642 -5.463 1.00 0.00 C ATOM 414 CG GLU A 28 14.670 -1.876 -4.343 1.00 0.00 C ATOM 415 CD GLU A 28 15.857 -2.741 -4.810 1.00 0.00 C ATOM 416 OE1 GLU A 28 15.751 -3.988 -4.852 1.00 0.00 O ATOM 417 OE2 GLU A 28 16.933 -2.194 -5.150 1.00 0.00 O ATOM 0 H GLU A 28 11.776 -1.643 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 28 13.635 -3.670 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.155 -1.215 -6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.916 -0.905 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.041 -0.915 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.179 -2.361 -3.499 1.00 0.00 H new ATOM 424 N SER A 29 10.938 -2.960 -4.407 1.00 0.00 N ATOM 425 CA SER A 29 10.145 -3.455 -3.273 1.00 0.00 C ATOM 426 C SER A 29 9.640 -4.881 -3.495 1.00 0.00 C ATOM 427 O SER A 29 9.607 -5.654 -2.543 1.00 0.00 O ATOM 428 CB SER A 29 9.011 -2.497 -2.892 1.00 0.00 C ATOM 429 OG SER A 29 8.410 -1.917 -4.029 1.00 0.00 O ATOM 0 H SER A 29 10.528 -2.163 -4.894 1.00 0.00 H new ATOM 0 HA SER A 29 10.822 -3.492 -2.420 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.257 -3.036 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.401 -1.710 -2.246 1.00 0.00 H new ATOM 0 HG SER A 29 8.690 -0.981 -4.105 1.00 0.00 H new ATOM 435 N GLN A 30 9.363 -5.302 -4.736 1.00 0.00 N ATOM 436 CA GLN A 30 8.986 -6.699 -5.005 1.00 0.00 C ATOM 437 C GLN A 30 10.156 -7.698 -4.853 1.00 0.00 C ATOM 438 O GLN A 30 9.911 -8.892 -4.700 1.00 0.00 O ATOM 439 CB GLN A 30 8.245 -6.829 -6.344 1.00 0.00 C ATOM 440 CG GLN A 30 9.122 -6.771 -7.604 1.00 0.00 C ATOM 441 CD GLN A 30 8.314 -6.571 -8.892 1.00 0.00 C ATOM 442 OE1 GLN A 30 8.826 -6.097 -9.895 1.00 0.00 O ATOM 443 NE2 GLN A 30 7.046 -6.930 -8.945 1.00 0.00 N ATOM 0 H GLN A 30 9.392 -4.704 -5.562 1.00 0.00 H new ATOM 0 HA GLN A 30 8.284 -6.988 -4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.701 -7.774 -6.346 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.502 -6.034 -6.405 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.840 -5.957 -7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.696 -7.694 -7.682 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.594 -7.328 -8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.517 -6.809 -9.809 1.00 0.00 H new ATOM 452 N ARG A 31 11.414 -7.227 -4.836 1.00 0.00 N ATOM 453 CA ARG A 31 12.606 -8.062 -4.583 1.00 0.00 C ATOM 454 C ARG A 31 12.806 -8.322 -3.081 1.00 0.00 C ATOM 455 O ARG A 31 13.198 -9.423 -2.700 1.00 0.00 O ATOM 456 CB ARG A 31 13.833 -7.410 -5.255 1.00 0.00 C ATOM 457 CG ARG A 31 15.099 -8.273 -5.146 1.00 0.00 C ATOM 458 CD ARG A 31 16.216 -7.832 -6.102 1.00 0.00 C ATOM 459 NE ARG A 31 16.740 -6.478 -5.816 1.00 0.00 N ATOM 460 CZ ARG A 31 17.934 -6.013 -6.130 1.00 0.00 C ATOM 461 NH1 ARG A 31 18.853 -6.739 -6.706 1.00 0.00 N ATOM 462 NH2 ARG A 31 18.215 -4.775 -5.861 1.00 0.00 N ATOM 0 H ARG A 31 11.637 -6.245 -4.999 1.00 0.00 H new ATOM 0 HA ARG A 31 12.464 -9.047 -5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 31 13.612 -7.228 -6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.020 -6.439 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.470 -8.234 -4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.842 -9.312 -5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.035 -8.549 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.839 -7.858 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 31 16.114 -5.839 -5.326 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.663 -7.715 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.761 -6.331 -6.928 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.518 -4.179 -5.414 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.133 -4.398 -6.096 1.00 0.00 H new ATOM 476 N LEU A 32 12.480 -7.341 -2.228 1.00 0.00 N ATOM 477 CA LEU A 32 12.619 -7.428 -0.763 1.00 0.00 C ATOM 478 C LEU A 32 11.364 -8.008 -0.081 1.00 0.00 C ATOM 479 O LEU A 32 11.471 -8.916 0.746 1.00 0.00 O ATOM 480 CB LEU A 32 12.998 -6.045 -0.191 1.00 0.00 C ATOM 481 CG LEU A 32 14.503 -5.715 -0.277 1.00 0.00 C ATOM 482 CD1 LEU A 32 15.042 -5.593 -1.703 1.00 0.00 C ATOM 483 CD2 LEU A 32 14.800 -4.400 0.440 1.00 0.00 C ATOM 0 H LEU A 32 12.105 -6.446 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 32 13.423 -8.130 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.438 -5.278 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.686 -5.998 0.852 1.00 0.00 H new ATOM 0 HG LEU A 32 15.001 -6.561 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.106 -5.360 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.893 -6.535 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.512 -4.797 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.865 -4.180 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.233 -3.595 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.514 -4.485 1.488 1.00 0.00 H new ATOM 495 N ILE A 33 10.166 -7.551 -0.467 1.00 0.00 N ATOM 496 CA ILE A 33 8.881 -8.029 0.080 1.00 0.00 C ATOM 497 C ILE A 33 8.451 -9.370 -0.567 1.00 0.00 C ATOM 498 O ILE A 33 7.580 -10.069 -0.050 1.00 0.00 O ATOM 499 CB ILE A 33 7.810 -6.899 0.016 1.00 0.00 C ATOM 500 CG1 ILE A 33 8.047 -5.754 1.036 1.00 0.00 C ATOM 501 CG2 ILE A 33 6.389 -7.414 0.310 1.00 0.00 C ATOM 502 CD1 ILE A 33 9.329 -4.924 0.887 1.00 0.00 C ATOM 0 H ILE A 33 10.056 -6.828 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 33 9.001 -8.263 1.138 1.00 0.00 H new ATOM 0 HB ILE A 33 7.905 -6.530 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.198 -5.073 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.042 -6.188 2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.683 -6.586 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.118 -8.174 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.359 -7.848 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.362 -4.162 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.197 -5.576 0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.340 -4.444 -0.091 1.00 0.00 H new ATOM 514 N GLY A 34 9.140 -9.828 -1.623 1.00 0.00 N ATOM 515 CA GLY A 34 8.753 -11.023 -2.391 1.00 0.00 C ATOM 516 C GLY A 34 9.456 -12.318 -1.995 1.00 0.00 C ATOM 517 O GLY A 34 9.161 -13.367 -2.569 1.00 0.00 O ATOM 0 H GLY A 34 9.986 -9.378 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.678 -11.168 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.948 -10.833 -3.447 1.00 0.00 H new ATOM 521 N GLN A 35 10.356 -12.271 -1.005 1.00 0.00 N ATOM 522 CA GLN A 35 10.980 -13.480 -0.450 1.00 0.00 C ATOM 523 C GLN A 35 10.010 -14.139 0.567 1.00 0.00 C ATOM 524 O GLN A 35 10.180 -15.299 0.949 1.00 0.00 O ATOM 525 CB GLN A 35 12.353 -13.107 0.143 1.00 0.00 C ATOM 526 CG GLN A 35 13.187 -14.347 0.499 1.00 0.00 C ATOM 527 CD GLN A 35 14.614 -13.988 0.916 1.00 0.00 C ATOM 528 OE1 GLN A 35 15.532 -13.930 0.106 1.00 0.00 O ATOM 529 NE2 GLN A 35 14.859 -13.733 2.184 1.00 0.00 N ATOM 0 H GLN A 35 10.670 -11.404 -0.569 1.00 0.00 H new ATOM 0 HA GLN A 35 11.165 -14.227 -1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.902 -12.495 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.208 -12.500 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.700 -14.889 1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.220 -15.018 -0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.104 -13.778 2.868 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.804 -13.491 2.482 1.00 0.00 H new ATOM 538 N GLN A 36 8.972 -13.397 0.984 1.00 0.00 N ATOM 539 CA GLN A 36 7.882 -13.831 1.847 1.00 0.00 C ATOM 540 C GLN A 36 6.772 -14.564 1.054 1.00 0.00 C ATOM 541 O GLN A 36 6.621 -14.357 -0.153 1.00 0.00 O ATOM 542 CB GLN A 36 7.299 -12.634 2.627 1.00 0.00 C ATOM 543 CG GLN A 36 8.260 -11.967 3.626 1.00 0.00 C ATOM 544 CD GLN A 36 8.948 -10.729 3.053 1.00 0.00 C ATOM 545 OE1 GLN A 36 8.478 -9.608 3.180 1.00 0.00 O ATOM 546 NE2 GLN A 36 10.083 -10.892 2.409 1.00 0.00 N ATOM 0 H GLN A 36 8.873 -12.421 0.706 1.00 0.00 H new ATOM 0 HA GLN A 36 8.294 -14.545 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.967 -11.882 1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.415 -12.971 3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.707 -11.687 4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.017 -12.689 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.478 -11.826 2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.568 -10.084 2.018 1.00 0.00 H new ATOM 555 N GLY A 37 5.974 -15.401 1.734 1.00 0.00 N ATOM 556 CA GLY A 37 4.869 -16.182 1.139 1.00 0.00 C ATOM 557 C GLY A 37 3.609 -16.280 2.012 1.00 0.00 C ATOM 558 O GLY A 37 2.965 -17.333 2.038 1.00 0.00 O ATOM 0 H GLY A 37 6.078 -15.560 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.598 -15.733 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.227 -17.190 0.928 1.00 0.00 H new ATOM 562 N LEU A 38 3.303 -15.232 2.787 1.00 0.00 N ATOM 563 CA LEU A 38 2.194 -15.202 3.760 1.00 0.00 C ATOM 564 C LEU A 38 0.820 -14.925 3.099 1.00 0.00 C ATOM 565 O LEU A 38 0.717 -14.786 1.878 1.00 0.00 O ATOM 566 CB LEU A 38 2.544 -14.163 4.856 1.00 0.00 C ATOM 567 CG LEU A 38 3.504 -14.602 5.983 1.00 0.00 C ATOM 568 CD1 LEU A 38 2.917 -15.733 6.830 1.00 0.00 C ATOM 569 CD2 LEU A 38 4.887 -15.030 5.496 1.00 0.00 C ATOM 0 H LEU A 38 3.830 -14.359 2.757 1.00 0.00 H new ATOM 0 HA LEU A 38 2.086 -16.188 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.979 -13.292 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.612 -13.836 5.318 1.00 0.00 H new ATOM 0 HG LEU A 38 3.626 -13.704 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.626 -16.009 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.986 -15.399 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.720 -16.598 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.499 -15.323 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.787 -15.875 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.363 -14.198 4.977 1.00 0.00 H new ATOM 581 N VAL A 39 -0.252 -14.864 3.907 1.00 0.00 N ATOM 582 CA VAL A 39 -1.614 -14.488 3.455 1.00 0.00 C ATOM 583 C VAL A 39 -1.610 -13.188 2.675 1.00 0.00 C ATOM 584 O VAL A 39 -0.805 -12.305 2.962 1.00 0.00 O ATOM 585 CB VAL A 39 -2.644 -14.445 4.604 1.00 0.00 C ATOM 586 CG1 VAL A 39 -2.851 -15.842 5.197 1.00 0.00 C ATOM 587 CG2 VAL A 39 -2.284 -13.468 5.731 1.00 0.00 C ATOM 0 H VAL A 39 -0.203 -15.075 4.904 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.933 -15.284 2.782 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.566 -14.081 4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.580 -15.790 6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.216 -16.516 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.904 -16.216 5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.057 -13.497 6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.327 -13.754 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.211 -12.458 5.328 1.00 0.00 H new ATOM 597 N ASP A 40 -2.550 -13.077 1.726 1.00 0.00 N ATOM 598 CA ASP A 40 -2.763 -12.008 0.731 1.00 0.00 C ATOM 599 C ASP A 40 -2.560 -10.568 1.213 1.00 0.00 C ATOM 600 O ASP A 40 -2.374 -9.641 0.427 1.00 0.00 O ATOM 601 CB ASP A 40 -4.215 -12.073 0.241 1.00 0.00 C ATOM 602 CG ASP A 40 -4.619 -13.360 -0.484 1.00 0.00 C ATOM 603 OD1 ASP A 40 -4.166 -14.456 -0.084 1.00 0.00 O ATOM 604 OD2 ASP A 40 -5.433 -13.255 -1.428 1.00 0.00 O ATOM 0 H ASP A 40 -3.254 -13.808 1.623 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.005 -12.204 -0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.874 -11.940 1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.390 -11.231 -0.429 1.00 0.00 H new ATOM 609 N GLY A 41 -2.652 -10.417 2.521 1.00 0.00 N ATOM 610 CA GLY A 41 -2.627 -9.169 3.258 1.00 0.00 C ATOM 611 C GLY A 41 -1.346 -8.710 3.940 1.00 0.00 C ATOM 612 O GLY A 41 -1.471 -7.817 4.767 1.00 0.00 O ATOM 0 H GLY A 41 -2.753 -11.222 3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.927 -8.380 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.398 -9.231 4.026 1.00 0.00 H new ATOM 616 N LEU A 42 -0.136 -9.169 3.619 1.00 0.00 N ATOM 617 CA LEU A 42 1.051 -8.754 4.406 1.00 0.00 C ATOM 618 C LEU A 42 1.627 -7.542 3.673 1.00 0.00 C ATOM 619 O LEU A 42 2.601 -7.600 2.930 1.00 0.00 O ATOM 620 CB LEU A 42 2.040 -9.935 4.572 1.00 0.00 C ATOM 621 CG LEU A 42 1.988 -10.657 5.929 1.00 0.00 C ATOM 622 CD1 LEU A 42 2.453 -9.768 7.082 1.00 0.00 C ATOM 623 CD2 LEU A 42 0.592 -11.194 6.232 1.00 0.00 C ATOM 0 H LEU A 42 0.057 -9.808 2.848 1.00 0.00 H new ATOM 0 HA LEU A 42 0.807 -8.471 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.844 -10.663 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.053 -9.563 4.417 1.00 0.00 H new ATOM 0 HG LEU A 42 2.679 -11.495 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.397 -10.326 8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.482 -9.455 6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.812 -8.889 7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.598 -11.697 7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.118 -10.368 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.298 -11.902 5.457 1.00 0.00 H new ATOM 635 N PHE A 43 0.967 -6.407 3.901 1.00 0.00 N ATOM 636 CA PHE A 43 1.226 -5.156 3.199 1.00 0.00 C ATOM 637 C PHE A 43 2.074 -4.067 3.883 1.00 0.00 C ATOM 638 O PHE A 43 2.404 -4.122 5.073 1.00 0.00 O ATOM 639 CB PHE A 43 -0.134 -4.622 2.722 1.00 0.00 C ATOM 640 CG PHE A 43 -0.781 -3.556 3.596 1.00 0.00 C ATOM 641 CD1 PHE A 43 -1.174 -3.892 4.904 1.00 0.00 C ATOM 642 CD2 PHE A 43 -1.029 -2.255 3.121 1.00 0.00 C ATOM 643 CE1 PHE A 43 -1.826 -2.957 5.727 1.00 0.00 C ATOM 644 CE2 PHE A 43 -1.732 -1.335 3.925 1.00 0.00 C ATOM 645 CZ PHE A 43 -2.121 -1.679 5.229 1.00 0.00 C ATOM 0 H PHE A 43 0.222 -6.333 4.594 1.00 0.00 H new ATOM 0 HA PHE A 43 1.903 -5.415 2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.009 -4.214 1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.823 -5.463 2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.972 -4.883 5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.681 -1.962 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.099 -3.221 6.738 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.973 -0.357 3.534 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.645 -0.964 5.846 1.00 0.00 H new ATOM 655 N LEU A 44 2.405 -3.067 3.058 1.00 0.00 N ATOM 656 CA LEU A 44 3.106 -1.806 3.355 1.00 0.00 C ATOM 657 C LEU A 44 2.446 -0.663 2.541 1.00 0.00 C ATOM 658 O LEU A 44 1.856 -0.931 1.488 1.00 0.00 O ATOM 659 CB LEU A 44 4.604 -1.998 3.001 1.00 0.00 C ATOM 660 CG LEU A 44 5.625 -0.960 3.522 1.00 0.00 C ATOM 661 CD1 LEU A 44 5.784 -1.059 5.039 1.00 0.00 C ATOM 662 CD2 LEU A 44 6.990 -1.234 2.889 1.00 0.00 C ATOM 0 H LEU A 44 2.167 -3.123 2.068 1.00 0.00 H new ATOM 0 HA LEU A 44 3.035 -1.538 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.909 -2.977 3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.687 -2.028 1.915 1.00 0.00 H new ATOM 0 HG LEU A 44 5.260 0.033 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.508 -0.318 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.823 -0.874 5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.135 -2.056 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.713 -0.504 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.320 -2.238 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.911 -1.156 1.805 1.00 0.00 H new ATOM 674 N VAL A 45 2.560 0.601 2.973 1.00 0.00 N ATOM 675 CA VAL A 45 2.070 1.789 2.228 1.00 0.00 C ATOM 676 C VAL A 45 3.256 2.694 1.918 1.00 0.00 C ATOM 677 O VAL A 45 3.543 3.679 2.602 1.00 0.00 O ATOM 678 CB VAL A 45 0.938 2.544 2.956 1.00 0.00 C ATOM 679 CG1 VAL A 45 0.295 3.589 2.025 1.00 0.00 C ATOM 680 CG2 VAL A 45 -0.182 1.597 3.386 1.00 0.00 C ATOM 0 H VAL A 45 3.000 0.839 3.862 1.00 0.00 H new ATOM 0 HA VAL A 45 1.617 1.446 1.298 1.00 0.00 H new ATOM 0 HB VAL A 45 1.394 3.015 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.501 4.110 2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.051 4.308 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.121 3.090 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.962 2.163 3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.603 1.109 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.219 0.842 4.063 1.00 0.00 H new ATOM 690 N ARG A 46 3.985 2.303 0.877 1.00 0.00 N ATOM 691 CA ARG A 46 5.189 2.981 0.384 1.00 0.00 C ATOM 692 C ARG A 46 4.969 3.519 -1.005 1.00 0.00 C ATOM 693 O ARG A 46 3.970 3.239 -1.648 1.00 0.00 O ATOM 694 CB ARG A 46 6.405 2.030 0.525 1.00 0.00 C ATOM 695 CG ARG A 46 6.849 1.208 -0.702 1.00 0.00 C ATOM 696 CD ARG A 46 5.746 0.376 -1.356 1.00 0.00 C ATOM 697 NE ARG A 46 6.013 -0.078 -2.741 1.00 0.00 N ATOM 698 CZ ARG A 46 6.230 0.594 -3.857 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.658 1.812 -3.960 1.00 0.00 N ATOM 700 NH2 ARG A 46 5.966 0.015 -4.979 1.00 0.00 N ATOM 0 H ARG A 46 3.748 1.475 0.330 1.00 0.00 H new ATOM 0 HA ARG A 46 5.412 3.859 0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.257 2.629 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.185 1.329 1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.260 1.889 -1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.656 0.541 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.563 -0.501 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.827 0.963 -1.357 1.00 0.00 H new ATOM 0 HE ARG A 46 6.033 -1.092 -2.852 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.864 2.353 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.789 2.230 -4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.600 -0.937 -4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.123 0.509 -5.857 1.00 0.00 H new ATOM 714 N GLU A 47 5.894 4.337 -1.453 1.00 0.00 N ATOM 715 CA GLU A 47 5.892 4.856 -2.808 1.00 0.00 C ATOM 716 C GLU A 47 7.314 4.950 -3.342 1.00 0.00 C ATOM 717 O GLU A 47 8.227 4.268 -2.870 1.00 0.00 O ATOM 718 CB GLU A 47 5.083 6.173 -2.799 1.00 0.00 C ATOM 719 CG GLU A 47 5.650 7.286 -1.888 1.00 0.00 C ATOM 720 CD GLU A 47 4.622 8.370 -1.556 1.00 0.00 C ATOM 721 OE1 GLU A 47 3.488 8.155 -1.137 1.00 0.00 O ATOM 722 OE2 GLU A 47 5.069 9.640 -1.697 1.00 0.00 O ATOM 0 H GLU A 47 6.676 4.665 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 47 5.397 4.189 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.027 6.553 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.063 5.952 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.012 6.840 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.509 7.745 -2.377 1.00 0.00 H new ATOM 730 N SER A 48 7.487 5.821 -4.311 1.00 0.00 N ATOM 731 CA SER A 48 8.733 6.202 -4.917 1.00 0.00 C ATOM 732 C SER A 48 8.781 7.719 -5.045 1.00 0.00 C ATOM 733 O SER A 48 7.768 8.417 -5.146 1.00 0.00 O ATOM 734 CB SER A 48 8.846 5.604 -6.314 1.00 0.00 C ATOM 735 OG SER A 48 7.812 6.089 -7.131 1.00 0.00 O ATOM 0 H SER A 48 6.697 6.316 -4.724 1.00 0.00 H new ATOM 0 HA SER A 48 9.551 5.839 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.813 5.857 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.796 4.517 -6.258 1.00 0.00 H new ATOM 0 HG SER A 48 7.100 5.418 -7.190 1.00 0.00 H new ATOM 741 N GLN A 49 10.014 8.205 -5.069 1.00 0.00 N ATOM 742 CA GLN A 49 10.332 9.596 -5.333 1.00 0.00 C ATOM 743 C GLN A 49 10.760 9.680 -6.836 1.00 0.00 C ATOM 744 O GLN A 49 11.160 10.733 -7.334 1.00 0.00 O ATOM 745 CB GLN A 49 11.259 10.084 -4.190 1.00 0.00 C ATOM 746 CG GLN A 49 12.703 9.572 -4.201 1.00 0.00 C ATOM 747 CD GLN A 49 13.561 10.081 -5.358 1.00 0.00 C ATOM 748 OE1 GLN A 49 13.936 11.244 -5.431 1.00 0.00 O ATOM 749 NE2 GLN A 49 13.920 9.226 -6.296 1.00 0.00 N ATOM 0 H GLN A 49 10.838 7.628 -4.901 1.00 0.00 H new ATOM 0 HA GLN A 49 9.525 10.327 -5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.285 11.173 -4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.805 9.799 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.180 9.856 -3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.686 8.483 -4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.613 8.255 -6.245 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.504 9.536 -7.072 1.00 0.00 H new ATOM 758 N ARG A 50 10.619 8.533 -7.554 1.00 0.00 N ATOM 759 CA ARG A 50 10.863 8.242 -8.977 1.00 0.00 C ATOM 760 C ARG A 50 9.575 8.243 -9.822 1.00 0.00 C ATOM 761 O ARG A 50 9.553 9.054 -10.750 1.00 0.00 O ATOM 762 CB ARG A 50 11.691 6.946 -9.107 1.00 0.00 C ATOM 763 CG ARG A 50 12.100 6.562 -10.545 1.00 0.00 C ATOM 764 CD ARG A 50 13.016 7.577 -11.253 1.00 0.00 C ATOM 765 NE ARG A 50 12.277 8.743 -11.787 1.00 0.00 N ATOM 766 CZ ARG A 50 12.794 9.809 -12.370 1.00 0.00 C ATOM 767 NH1 ARG A 50 14.073 9.932 -12.581 1.00 0.00 N ATOM 768 NH2 ARG A 50 12.015 10.781 -12.752 1.00 0.00 N ATOM 0 H ARG A 50 10.290 7.691 -7.081 1.00 0.00 H new ATOM 0 HA ARG A 50 11.453 9.055 -9.400 1.00 0.00 H new ATOM 0 HB2 ARG A 50 12.595 7.051 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.117 6.124 -8.679 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.605 5.597 -10.518 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.197 6.432 -11.141 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.776 7.924 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.539 7.079 -12.070 1.00 0.00 H new ATOM 0 HE ARG A 50 11.261 8.721 -11.695 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.711 9.190 -12.293 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.437 10.770 -13.034 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.008 10.717 -12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.412 11.606 -13.203 1.00 0.00 H new ATOM 782 N ASN A 51 8.541 7.390 -9.621 1.00 0.00 N ATOM 783 CA ASN A 51 7.304 7.564 -10.389 1.00 0.00 C ATOM 784 C ASN A 51 6.691 8.928 -9.986 1.00 0.00 C ATOM 785 O ASN A 51 6.472 9.157 -8.792 1.00 0.00 O ATOM 786 CB ASN A 51 6.324 6.394 -10.210 1.00 0.00 C ATOM 787 CG ASN A 51 6.776 5.261 -11.102 1.00 0.00 C ATOM 788 OD1 ASN A 51 6.432 5.178 -12.274 1.00 0.00 O ATOM 789 ND2 ASN A 51 7.685 4.456 -10.627 1.00 0.00 N ATOM 0 H ASN A 51 8.543 6.611 -8.962 1.00 0.00 H new ATOM 0 HA ASN A 51 7.529 7.563 -11.456 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.301 6.073 -9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.312 6.703 -10.470 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.112 3.755 -11.232 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.969 4.528 -9.650 1.00 0.00 H new ATOM 796 N PRO A 52 6.404 9.850 -10.927 1.00 0.00 N ATOM 797 CA PRO A 52 6.064 11.248 -10.608 1.00 0.00 C ATOM 798 C PRO A 52 4.689 11.423 -9.928 1.00 0.00 C ATOM 799 O PRO A 52 4.331 12.522 -9.502 1.00 0.00 O ATOM 800 CB PRO A 52 6.142 11.986 -11.951 1.00 0.00 C ATOM 801 CG PRO A 52 5.835 10.899 -12.981 1.00 0.00 C ATOM 802 CD PRO A 52 6.494 9.665 -12.370 1.00 0.00 C ATOM 0 HA PRO A 52 6.756 11.651 -9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.420 12.801 -12.002 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.128 12.422 -12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.762 10.760 -13.117 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.252 11.138 -13.959 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.984 8.753 -12.681 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.532 9.575 -12.690 1.00 0.00 H new ATOM 810 N GLN A 53 3.920 10.335 -9.838 1.00 0.00 N ATOM 811 CA GLN A 53 2.550 10.250 -9.341 1.00 0.00 C ATOM 812 C GLN A 53 2.395 9.140 -8.277 1.00 0.00 C ATOM 813 O GLN A 53 1.265 8.683 -8.112 1.00 0.00 O ATOM 814 CB GLN A 53 1.626 10.042 -10.563 1.00 0.00 C ATOM 815 CG GLN A 53 1.628 11.255 -11.519 1.00 0.00 C ATOM 816 CD GLN A 53 0.729 11.093 -12.748 1.00 0.00 C ATOM 817 OE1 GLN A 53 0.221 10.028 -13.078 1.00 0.00 O ATOM 818 NE2 GLN A 53 0.506 12.156 -13.494 1.00 0.00 N ATOM 0 H GLN A 53 4.268 9.423 -10.134 1.00 0.00 H new ATOM 0 HA GLN A 53 2.271 11.171 -8.828 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.944 9.153 -11.108 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.609 9.857 -10.218 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.311 12.139 -10.966 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.649 11.438 -11.853 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.918 13.053 -13.239 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.079 12.081 -14.326 1.00 0.00 H new ATOM 827 N GLY A 54 3.427 8.730 -7.498 1.00 0.00 N ATOM 828 CA GLY A 54 3.255 7.565 -6.613 1.00 0.00 C ATOM 829 C GLY A 54 2.886 7.717 -5.132 1.00 0.00 C ATOM 830 O GLY A 54 3.495 8.451 -4.360 1.00 0.00 O ATOM 0 H GLY A 54 4.347 9.170 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.487 6.937 -7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.188 7.003 -6.648 1.00 0.00 H new ATOM 834 N PHE A 55 1.811 6.980 -4.823 1.00 0.00 N ATOM 835 CA PHE A 55 1.116 6.675 -3.558 1.00 0.00 C ATOM 836 C PHE A 55 0.566 5.210 -3.605 1.00 0.00 C ATOM 837 O PHE A 55 -0.622 5.005 -3.852 1.00 0.00 O ATOM 838 CB PHE A 55 -0.020 7.705 -3.348 1.00 0.00 C ATOM 839 CG PHE A 55 0.359 9.166 -3.518 1.00 0.00 C ATOM 840 CD1 PHE A 55 0.855 9.908 -2.428 1.00 0.00 C ATOM 841 CD2 PHE A 55 0.210 9.789 -4.775 1.00 0.00 C ATOM 842 CE1 PHE A 55 1.206 11.260 -2.595 1.00 0.00 C ATOM 843 CE2 PHE A 55 0.570 11.138 -4.945 1.00 0.00 C ATOM 844 CZ PHE A 55 1.066 11.874 -3.855 1.00 0.00 C ATOM 0 H PHE A 55 1.327 6.504 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 55 1.804 6.746 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.824 7.476 -4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.423 7.570 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.966 9.438 -1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.182 9.228 -5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.583 11.827 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.465 11.608 -5.912 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.340 12.911 -3.984 1.00 0.00 H new ATOM 854 N VAL A 56 1.389 4.170 -3.411 1.00 0.00 N ATOM 855 CA VAL A 56 1.035 2.737 -3.559 1.00 0.00 C ATOM 856 C VAL A 56 0.707 2.006 -2.251 1.00 0.00 C ATOM 857 O VAL A 56 1.261 2.255 -1.182 1.00 0.00 O ATOM 858 CB VAL A 56 2.115 1.927 -4.380 1.00 0.00 C ATOM 859 CG1 VAL A 56 3.325 2.754 -4.829 1.00 0.00 C ATOM 860 CG2 VAL A 56 2.773 0.774 -3.616 1.00 0.00 C ATOM 0 H VAL A 56 2.362 4.302 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 56 0.105 2.768 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 56 1.501 1.584 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.014 2.118 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.990 3.572 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.832 3.161 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.499 0.278 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.279 1.164 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.010 0.058 -3.310 1.00 0.00 H new ATOM 870 N LEU A 57 -0.232 1.067 -2.378 1.00 0.00 N ATOM 871 CA LEU A 57 -0.605 0.098 -1.348 1.00 0.00 C ATOM 872 C LEU A 57 0.138 -1.139 -1.893 1.00 0.00 C ATOM 873 O LEU A 57 0.029 -1.438 -3.080 1.00 0.00 O ATOM 874 CB LEU A 57 -2.138 0.017 -1.208 1.00 0.00 C ATOM 875 CG LEU A 57 -2.636 -0.783 0.008 1.00 0.00 C ATOM 876 CD1 LEU A 57 -4.158 -0.694 0.093 1.00 0.00 C ATOM 877 CD2 LEU A 57 -2.266 -2.263 -0.081 1.00 0.00 C ATOM 0 H LEU A 57 -0.774 0.957 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.329 0.303 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.537 1.030 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.548 -0.432 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.158 -0.350 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.508 -1.262 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.456 0.349 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.598 -1.106 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.639 -2.785 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.712 -2.696 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.182 -2.365 -0.131 1.00 0.00 H new ATOM 889 N SER A 58 0.949 -1.834 -1.102 1.00 0.00 N ATOM 890 CA SER A 58 1.788 -2.924 -1.625 1.00 0.00 C ATOM 891 C SER A 58 1.545 -4.165 -0.814 1.00 0.00 C ATOM 892 O SER A 58 1.876 -4.192 0.363 1.00 0.00 O ATOM 893 CB SER A 58 3.256 -2.489 -1.620 1.00 0.00 C ATOM 894 OG SER A 58 3.602 -1.889 -0.390 1.00 0.00 O ATOM 0 H SER A 58 1.048 -1.669 -0.100 1.00 0.00 H new ATOM 0 HA SER A 58 1.527 -3.153 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.896 -3.353 -1.800 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.433 -1.786 -2.434 1.00 0.00 H new ATOM 0 HG SER A 58 2.797 -1.781 0.159 1.00 0.00 H new ATOM 900 N LEU A 59 0.954 -5.172 -1.450 1.00 0.00 N ATOM 901 CA LEU A 59 0.516 -6.406 -0.806 1.00 0.00 C ATOM 902 C LEU A 59 1.531 -7.528 -1.003 1.00 0.00 C ATOM 903 O LEU A 59 2.275 -7.558 -1.985 1.00 0.00 O ATOM 904 CB LEU A 59 -0.900 -6.727 -1.332 1.00 0.00 C ATOM 905 CG LEU A 59 -1.935 -5.769 -0.707 1.00 0.00 C ATOM 906 CD1 LEU A 59 -3.136 -5.513 -1.611 1.00 0.00 C ATOM 907 CD2 LEU A 59 -2.438 -6.313 0.627 1.00 0.00 C ATOM 0 H LEU A 59 0.762 -5.152 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 59 0.458 -6.290 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.921 -6.637 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.159 -7.759 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.413 -4.823 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.827 -4.832 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.798 -5.068 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.642 -6.456 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.167 -5.622 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.907 -7.284 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.600 -6.422 1.315 1.00 0.00 H new ATOM 919 N CYS A 60 1.538 -8.461 -0.054 1.00 0.00 N ATOM 920 CA CYS A 60 2.439 -9.612 -0.087 1.00 0.00 C ATOM 921 C CYS A 60 1.446 -10.726 0.020 1.00 0.00 C ATOM 922 O CYS A 60 0.717 -10.789 1.013 1.00 0.00 O ATOM 923 CB CYS A 60 3.456 -9.660 1.056 1.00 0.00 C ATOM 924 SG CYS A 60 4.511 -11.122 0.865 1.00 0.00 S ATOM 0 H CYS A 60 0.921 -8.441 0.758 1.00 0.00 H new ATOM 0 HA CYS A 60 3.083 -9.624 -0.966 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.065 -8.756 1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.940 -9.694 2.015 1.00 0.00 H new ATOM 0 HG CYS A 60 5.711 -10.751 0.530 1.00 0.00 H new ATOM 930 N HIS A 61 1.357 -11.515 -1.039 1.00 0.00 N ATOM 931 CA HIS A 61 0.343 -12.532 -1.131 1.00 0.00 C ATOM 932 C HIS A 61 0.929 -13.948 -1.107 1.00 0.00 C ATOM 933 O HIS A 61 2.113 -14.151 -0.814 1.00 0.00 O ATOM 934 CB HIS A 61 -0.575 -12.107 -2.301 1.00 0.00 C ATOM 935 CG HIS A 61 -1.111 -13.106 -3.299 1.00 0.00 C ATOM 936 ND1 HIS A 61 -0.369 -13.715 -4.311 1.00 0.00 N ATOM 937 CD2 HIS A 61 -2.416 -13.483 -3.424 1.00 0.00 C ATOM 938 CE1 HIS A 61 -1.255 -14.405 -5.051 1.00 0.00 C ATOM 939 NE2 HIS A 61 -2.485 -14.297 -4.529 1.00 0.00 N ATOM 0 H HIS A 61 1.980 -11.464 -1.845 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.298 -12.607 -0.252 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.438 -11.610 -1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.030 -11.354 -2.871 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.235 -13.198 -2.780 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.010 -14.967 -5.940 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.328 -14.743 -4.890 1.00 0.00 H new ATOM 947 N LEU A 62 0.099 -14.919 -1.478 1.00 0.00 N ATOM 948 CA LEU A 62 0.434 -16.357 -1.395 1.00 0.00 C ATOM 949 C LEU A 62 0.947 -17.042 -2.618 1.00 0.00 C ATOM 950 O LEU A 62 1.179 -18.254 -2.600 1.00 0.00 O ATOM 951 CB LEU A 62 -0.565 -17.138 -0.515 1.00 0.00 C ATOM 952 CG LEU A 62 -1.733 -17.817 -1.261 1.00 0.00 C ATOM 953 CD1 LEU A 62 -2.737 -18.367 -0.250 1.00 0.00 C ATOM 954 CD2 LEU A 62 -2.479 -16.887 -2.219 1.00 0.00 C ATOM 0 H LEU A 62 -0.834 -14.740 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 62 1.378 -16.370 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.015 -17.903 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.981 -16.453 0.224 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.285 -18.610 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.561 -18.846 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.244 -19.098 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.123 -17.551 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.285 -17.436 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.896 -16.049 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.788 -16.512 -2.974 1.00 0.00 H new ATOM 966 N GLN A 63 1.210 -16.228 -3.632 1.00 0.00 N ATOM 967 CA GLN A 63 1.902 -16.717 -4.794 1.00 0.00 C ATOM 968 C GLN A 63 2.809 -15.662 -5.431 1.00 0.00 C ATOM 969 O GLN A 63 3.819 -16.020 -6.042 1.00 0.00 O ATOM 970 CB GLN A 63 1.001 -17.377 -5.864 1.00 0.00 C ATOM 971 CG GLN A 63 0.098 -18.536 -5.407 1.00 0.00 C ATOM 972 CD GLN A 63 -0.712 -19.169 -6.544 1.00 0.00 C ATOM 973 OE1 GLN A 63 -0.694 -18.755 -7.698 1.00 0.00 O ATOM 974 NE2 GLN A 63 -1.466 -20.210 -6.261 1.00 0.00 N ATOM 0 H GLN A 63 0.955 -15.241 -3.665 1.00 0.00 H new ATOM 0 HA GLN A 63 2.527 -17.517 -4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.365 -16.603 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.642 -17.744 -6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.715 -19.304 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.588 -18.171 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.498 -20.573 -5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.019 -20.654 -6.994 1.00 0.00 H new ATOM 983 N LYS A 64 2.482 -14.374 -5.261 1.00 0.00 N ATOM 984 CA LYS A 64 3.310 -13.253 -5.713 1.00 0.00 C ATOM 985 C LYS A 64 3.145 -12.010 -4.824 1.00 0.00 C ATOM 986 O LYS A 64 2.410 -12.034 -3.837 1.00 0.00 O ATOM 987 CB LYS A 64 2.984 -12.977 -7.198 1.00 0.00 C ATOM 988 CG LYS A 64 1.594 -12.342 -7.418 1.00 0.00 C ATOM 989 CD LYS A 64 0.996 -12.685 -8.792 1.00 0.00 C ATOM 990 CE LYS A 64 1.884 -12.231 -9.964 1.00 0.00 C ATOM 991 NZ LYS A 64 1.321 -12.668 -11.273 1.00 0.00 N ATOM 0 H LYS A 64 1.622 -14.080 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 64 4.364 -13.518 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.746 -12.316 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.038 -13.913 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.916 -12.683 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.674 -11.259 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.842 -13.762 -8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.016 -12.216 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.979 -11.145 -9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.887 -12.640 -9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.942 -12.347 -12.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.253 -13.706 -11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.374 -12.257 -11.398 1.00 0.00 H new ATOM 1005 N VAL A 65 3.823 -10.915 -5.170 1.00 0.00 N ATOM 1006 CA VAL A 65 3.694 -9.601 -4.504 1.00 0.00 C ATOM 1007 C VAL A 65 3.503 -8.508 -5.564 1.00 0.00 C ATOM 1008 O VAL A 65 4.179 -8.526 -6.594 1.00 0.00 O ATOM 1009 CB VAL A 65 4.848 -9.315 -3.519 1.00 0.00 C ATOM 1010 CG1 VAL A 65 5.101 -10.518 -2.606 1.00 0.00 C ATOM 1011 CG2 VAL A 65 6.178 -8.952 -4.183 1.00 0.00 C ATOM 0 H VAL A 65 4.495 -10.908 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 65 2.805 -9.612 -3.874 1.00 0.00 H new ATOM 0 HB VAL A 65 4.508 -8.446 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.919 -10.290 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.199 -10.736 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.365 -11.385 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.930 -8.768 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.503 -9.775 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.050 -8.054 -4.788 1.00 0.00 H new ATOM 1021 N LYS A 66 2.557 -7.587 -5.342 1.00 0.00 N ATOM 1022 CA LYS A 66 2.176 -6.547 -6.322 1.00 0.00 C ATOM 1023 C LYS A 66 1.893 -5.192 -5.664 1.00 0.00 C ATOM 1024 O LYS A 66 1.564 -5.123 -4.477 1.00 0.00 O ATOM 1025 CB LYS A 66 0.967 -7.073 -7.131 1.00 0.00 C ATOM 1026 CG LYS A 66 0.926 -6.581 -8.586 1.00 0.00 C ATOM 1027 CD LYS A 66 -0.188 -7.317 -9.351 1.00 0.00 C ATOM 1028 CE LYS A 66 -0.329 -6.799 -10.792 1.00 0.00 C ATOM 1029 NZ LYS A 66 -1.413 -7.517 -11.528 1.00 0.00 N ATOM 0 H LYS A 66 2.027 -7.537 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 66 3.013 -6.359 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.987 -8.163 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.048 -6.769 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.749 -5.506 -8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.888 -6.757 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.027 -8.385 -9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.134 -7.191 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.544 -5.731 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.616 -6.926 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.482 -7.143 -12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.194 -8.533 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.319 -7.375 -11.037 1.00 0.00 H new ATOM 1043 N HIS A 67 1.986 -4.125 -6.454 1.00 0.00 N ATOM 1044 CA HIS A 67 1.815 -2.731 -6.019 1.00 0.00 C ATOM 1045 C HIS A 67 0.542 -2.131 -6.607 1.00 0.00 C ATOM 1046 O HIS A 67 0.165 -2.436 -7.728 1.00 0.00 O ATOM 1047 CB HIS A 67 3.066 -1.938 -6.374 1.00 0.00 C ATOM 1048 CG HIS A 67 4.291 -2.602 -5.812 1.00 0.00 C ATOM 1049 ND1 HIS A 67 4.691 -2.547 -4.475 1.00 0.00 N ATOM 1050 CD2 HIS A 67 5.102 -3.466 -6.478 1.00 0.00 C ATOM 1051 CE1 HIS A 67 5.734 -3.387 -4.367 1.00 0.00 C ATOM 1052 NE2 HIS A 67 6.021 -3.921 -5.562 1.00 0.00 N ATOM 0 H HIS A 67 2.189 -4.204 -7.450 1.00 0.00 H new ATOM 0 HA HIS A 67 1.693 -2.691 -4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.155 -1.855 -7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.984 -0.924 -5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.037 -3.741 -7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.264 -3.601 -3.451 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.792 -4.559 -5.759 1.00 0.00 H new ATOM 1060 N TYR A 68 -0.073 -1.209 -5.880 1.00 0.00 N ATOM 1061 CA TYR A 68 -1.385 -0.626 -6.197 1.00 0.00 C ATOM 1062 C TYR A 68 -1.363 0.910 -6.280 1.00 0.00 C ATOM 1063 O TYR A 68 -1.929 1.597 -5.433 1.00 0.00 O ATOM 1064 CB TYR A 68 -2.298 -1.211 -5.101 1.00 0.00 C ATOM 1065 CG TYR A 68 -3.807 -1.240 -5.191 1.00 0.00 C ATOM 1066 CD1 TYR A 68 -4.546 -0.797 -6.308 1.00 0.00 C ATOM 1067 CD2 TYR A 68 -4.476 -1.800 -4.084 1.00 0.00 C ATOM 1068 CE1 TYR A 68 -5.955 -0.886 -6.285 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -5.874 -1.901 -4.067 1.00 0.00 C ATOM 1070 CZ TYR A 68 -6.618 -1.431 -5.162 1.00 0.00 C ATOM 1071 OH TYR A 68 -7.971 -1.520 -5.107 1.00 0.00 O ATOM 0 H TYR A 68 0.333 -0.829 -5.025 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.744 -0.880 -7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.981 -2.244 -4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.057 -0.674 -4.184 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -4.039 -0.394 -7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.905 -2.155 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.529 -0.536 -7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.376 -2.338 -3.217 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.349 -1.303 -5.985 1.00 0.00 H new ATOM 1081 N LEU A 69 -0.640 1.458 -7.262 1.00 0.00 N ATOM 1082 CA LEU A 69 -0.577 2.891 -7.572 1.00 0.00 C ATOM 1083 C LEU A 69 -0.525 3.158 -9.073 1.00 0.00 C ATOM 1084 O LEU A 69 0.323 2.565 -9.725 1.00 0.00 O ATOM 1085 CB LEU A 69 0.714 3.448 -6.995 1.00 0.00 C ATOM 1086 CG LEU A 69 1.133 4.871 -7.363 1.00 0.00 C ATOM 1087 CD1 LEU A 69 1.829 4.991 -8.726 1.00 0.00 C ATOM 1088 CD2 LEU A 69 -0.038 5.855 -7.198 1.00 0.00 C ATOM 0 H LEU A 69 -0.061 0.896 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.471 3.354 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.639 3.397 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.523 2.779 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 69 1.905 5.154 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.093 6.033 -8.909 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.733 4.382 -8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.156 4.644 -9.510 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.290 6.859 -7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.860 5.555 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.375 5.849 -6.161 1.00 0.00 H new ATOM 1100 N ILE A 70 -1.369 4.040 -9.619 1.00 0.00 N ATOM 1101 CA ILE A 70 -1.254 4.475 -11.032 1.00 0.00 C ATOM 1102 C ILE A 70 -1.546 5.973 -11.170 1.00 0.00 C ATOM 1103 O ILE A 70 -0.798 6.665 -11.860 1.00 0.00 O ATOM 1104 CB ILE A 70 -2.030 3.597 -12.044 1.00 0.00 C ATOM 1105 CG1 ILE A 70 -1.353 2.212 -12.038 1.00 0.00 C ATOM 1106 CG2 ILE A 70 -2.006 4.179 -13.468 1.00 0.00 C ATOM 1107 CD1 ILE A 70 -1.710 1.214 -13.119 1.00 0.00 C ATOM 0 H ILE A 70 -2.142 4.471 -9.112 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.213 4.317 -11.315 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.078 3.546 -11.750 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.276 2.373 -12.082 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.567 1.746 -11.076 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.564 3.525 -14.138 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.462 5.169 -13.464 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.975 4.256 -13.812 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.145 0.295 -12.966 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.777 0.996 -13.075 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.466 1.632 -14.095 1.00 0.00 H new ATOM 1119 N LEU A 71 -2.581 6.490 -10.485 1.00 0.00 N ATOM 1120 CA LEU A 71 -3.005 7.890 -10.649 1.00 0.00 C ATOM 1121 C LEU A 71 -2.955 8.702 -9.330 1.00 0.00 C ATOM 1122 O LEU A 71 -3.237 8.144 -8.264 1.00 0.00 O ATOM 1123 CB LEU A 71 -4.433 7.878 -11.235 1.00 0.00 C ATOM 1124 CG LEU A 71 -4.721 6.946 -12.440 1.00 0.00 C ATOM 1125 CD1 LEU A 71 -6.228 6.752 -12.634 1.00 0.00 C ATOM 1126 CD2 LEU A 71 -4.114 7.465 -13.739 1.00 0.00 C ATOM 0 H LEU A 71 -3.138 5.960 -9.814 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.308 8.391 -11.321 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.120 7.608 -10.433 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.679 8.897 -11.535 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.252 5.991 -12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.404 6.094 -13.485 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.656 6.306 -11.736 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.698 7.718 -12.819 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.346 6.775 -14.550 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.529 8.446 -13.968 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.033 7.545 -13.629 1.00 0.00 H new ATOM 1138 N PRO A 72 -2.658 10.019 -9.390 1.00 0.00 N ATOM 1139 CA PRO A 72 -2.675 10.923 -8.236 1.00 0.00 C ATOM 1140 C PRO A 72 -4.108 11.407 -7.936 1.00 0.00 C ATOM 1141 O PRO A 72 -5.071 10.962 -8.568 1.00 0.00 O ATOM 1142 CB PRO A 72 -1.732 12.058 -8.655 1.00 0.00 C ATOM 1143 CG PRO A 72 -2.030 12.207 -10.146 1.00 0.00 C ATOM 1144 CD PRO A 72 -2.286 10.765 -10.588 1.00 0.00 C ATOM 0 HA PRO A 72 -2.350 10.454 -7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.937 12.978 -8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.687 11.805 -8.474 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.897 12.844 -10.323 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.192 12.652 -10.683 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.081 10.724 -11.332 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.396 10.338 -11.049 1.00 0.00 H new ATOM 1152 N SER A 73 -4.267 12.344 -6.997 1.00 0.00 N ATOM 1153 CA SER A 73 -5.568 12.944 -6.655 1.00 0.00 C ATOM 1154 C SER A 73 -6.257 13.611 -7.860 1.00 0.00 C ATOM 1155 O SER A 73 -5.638 14.410 -8.566 1.00 0.00 O ATOM 1156 CB SER A 73 -5.420 13.954 -5.512 1.00 0.00 C ATOM 1157 OG SER A 73 -4.969 13.288 -4.347 1.00 0.00 O ATOM 0 H SER A 73 -3.492 12.713 -6.446 1.00 0.00 H new ATOM 0 HA SER A 73 -6.207 12.122 -6.332 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.714 14.736 -5.793 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.375 14.442 -5.318 1.00 0.00 H new ATOM 0 HG SER A 73 -4.873 13.935 -3.617 1.00 0.00 H new ATOM 1163 N GLU A 74 -7.537 13.288 -8.093 1.00 0.00 N ATOM 1164 CA GLU A 74 -8.335 13.787 -9.227 1.00 0.00 C ATOM 1165 C GLU A 74 -9.450 14.755 -8.776 1.00 0.00 C ATOM 1166 O GLU A 74 -9.638 14.997 -7.584 1.00 0.00 O ATOM 1167 CB GLU A 74 -8.920 12.581 -9.997 1.00 0.00 C ATOM 1168 CG GLU A 74 -7.879 11.553 -10.482 1.00 0.00 C ATOM 1169 CD GLU A 74 -6.813 12.151 -11.402 1.00 0.00 C ATOM 1170 OE1 GLU A 74 -7.063 12.798 -12.418 1.00 0.00 O ATOM 1171 OE2 GLU A 74 -5.529 11.917 -11.030 1.00 0.00 O ATOM 0 H GLU A 74 -8.060 12.658 -7.485 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.682 14.361 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.639 12.073 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.471 12.953 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.391 11.106 -9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.393 10.749 -11.009 1.00 0.00 H new ATOM 1179 N GLU A 75 -10.226 15.283 -9.731 1.00 0.00 N ATOM 1180 CA GLU A 75 -11.405 16.138 -9.472 1.00 0.00 C ATOM 1181 C GLU A 75 -12.733 15.348 -9.555 1.00 0.00 C ATOM 1182 O GLU A 75 -13.779 15.828 -9.116 1.00 0.00 O ATOM 1183 CB GLU A 75 -11.412 17.322 -10.453 1.00 0.00 C ATOM 1184 CG GLU A 75 -10.211 18.256 -10.257 1.00 0.00 C ATOM 1185 CD GLU A 75 -10.306 19.480 -11.187 1.00 0.00 C ATOM 1186 OE1 GLU A 75 -9.810 19.415 -12.340 1.00 0.00 O ATOM 1187 OE2 GLU A 75 -10.874 20.521 -10.772 1.00 0.00 O ATOM 0 H GLU A 75 -10.054 15.129 -10.725 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.328 16.513 -8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.410 16.943 -11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.334 17.890 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.168 18.586 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.287 17.713 -10.457 1.00 0.00 H new ATOM 1194 N GLU A 76 -12.685 14.110 -10.066 1.00 0.00 N ATOM 1195 CA GLU A 76 -13.793 13.137 -10.147 1.00 0.00 C ATOM 1196 C GLU A 76 -13.627 11.999 -9.109 1.00 0.00 C ATOM 1197 O GLU A 76 -13.948 10.833 -9.356 1.00 0.00 O ATOM 1198 CB GLU A 76 -13.979 12.669 -11.603 1.00 0.00 C ATOM 1199 CG GLU A 76 -12.753 11.974 -12.216 1.00 0.00 C ATOM 1200 CD GLU A 76 -13.023 11.590 -13.685 1.00 0.00 C ATOM 1201 OE1 GLU A 76 -13.734 10.586 -13.942 1.00 0.00 O ATOM 1202 OE2 GLU A 76 -12.527 12.292 -14.600 1.00 0.00 O ATOM 0 H GLU A 76 -11.822 13.735 -10.458 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.729 13.619 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.826 11.985 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.236 13.532 -12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.888 12.635 -12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.509 11.081 -11.640 1.00 0.00 H new ATOM 1209 N GLY A 77 -13.046 12.349 -7.958 1.00 0.00 N ATOM 1210 CA GLY A 77 -12.675 11.478 -6.837 1.00 0.00 C ATOM 1211 C GLY A 77 -11.540 12.107 -6.029 1.00 0.00 C ATOM 1212 O GLY A 77 -11.438 13.331 -5.960 1.00 0.00 O ATOM 0 H GLY A 77 -12.804 13.322 -7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.540 11.313 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.366 10.502 -7.212 1.00 0.00 H new ATOM 1216 N ARG A 78 -10.686 11.288 -5.407 1.00 0.00 N ATOM 1217 CA ARG A 78 -9.463 11.717 -4.677 1.00 0.00 C ATOM 1218 C ARG A 78 -8.296 10.888 -5.220 1.00 0.00 C ATOM 1219 O ARG A 78 -8.158 10.845 -6.440 1.00 0.00 O ATOM 1220 CB ARG A 78 -9.671 11.636 -3.150 1.00 0.00 C ATOM 1221 CG ARG A 78 -10.861 12.416 -2.562 1.00 0.00 C ATOM 1222 CD ARG A 78 -10.605 13.921 -2.380 1.00 0.00 C ATOM 1223 NE ARG A 78 -10.482 14.630 -3.667 1.00 0.00 N ATOM 1224 CZ ARG A 78 -10.029 15.853 -3.870 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -9.693 16.639 -2.883 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -9.895 16.309 -5.080 1.00 0.00 N ATOM 0 H ARG A 78 -10.820 10.277 -5.390 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.231 12.768 -4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.788 10.587 -2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.761 11.991 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.725 12.283 -3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.121 11.984 -1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.420 14.358 -1.804 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.693 14.064 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.781 14.116 -4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.777 16.313 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.346 17.579 -3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.140 15.721 -5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.545 17.255 -5.233 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.454 10.263 -4.388 1.00 0.00 N ATOM 1241 CA LEU A 79 -6.394 9.354 -4.866 1.00 0.00 C ATOM 1242 C LEU A 79 -7.065 8.239 -5.688 1.00 0.00 C ATOM 1243 O LEU A 79 -7.958 7.568 -5.175 1.00 0.00 O ATOM 1244 CB LEU A 79 -5.614 8.754 -3.678 1.00 0.00 C ATOM 1245 CG LEU A 79 -4.634 9.715 -2.983 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -4.075 9.046 -1.727 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -3.453 10.086 -3.882 1.00 0.00 C ATOM 0 H LEU A 79 -7.483 10.368 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.681 9.901 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.330 8.394 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.057 7.886 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.188 10.622 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.380 9.724 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.893 8.806 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.553 8.130 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.789 10.766 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.906 9.184 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.822 10.573 -4.785 1.00 0.00 H new ATOM 1259 N TYR A 80 -6.684 8.049 -6.953 1.00 0.00 N ATOM 1260 CA TYR A 80 -7.377 7.088 -7.820 1.00 0.00 C ATOM 1261 C TYR A 80 -6.895 5.624 -7.691 1.00 0.00 C ATOM 1262 O TYR A 80 -5.697 5.344 -7.639 1.00 0.00 O ATOM 1263 CB TYR A 80 -7.455 7.596 -9.262 1.00 0.00 C ATOM 1264 CG TYR A 80 -8.866 7.913 -9.724 1.00 0.00 C ATOM 1265 CD1 TYR A 80 -9.541 9.018 -9.176 1.00 0.00 C ATOM 1266 CD2 TYR A 80 -9.524 7.074 -10.647 1.00 0.00 C ATOM 1267 CE1 TYR A 80 -10.874 9.289 -9.543 1.00 0.00 C ATOM 1268 CE2 TYR A 80 -10.866 7.329 -10.998 1.00 0.00 C ATOM 1269 CZ TYR A 80 -11.551 8.429 -10.433 1.00 0.00 C ATOM 1270 OH TYR A 80 -12.865 8.634 -10.717 1.00 0.00 O ATOM 0 H TYR A 80 -5.909 8.540 -7.398 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.399 7.032 -7.446 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.842 8.492 -9.355 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.025 6.846 -9.926 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.036 9.662 -8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.001 6.237 -11.085 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -11.378 10.156 -9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.371 6.682 -11.700 1.00 0.00 H new ATOM 0 HH TYR A 80 -13.188 9.416 -10.222 1.00 0.00 H new ATOM 1280 N PHE A 81 -7.864 4.694 -7.700 1.00 0.00 N ATOM 1281 CA PHE A 81 -7.694 3.233 -7.679 1.00 0.00 C ATOM 1282 C PHE A 81 -8.773 2.506 -8.503 1.00 0.00 C ATOM 1283 O PHE A 81 -9.952 2.827 -8.366 1.00 0.00 O ATOM 1284 CB PHE A 81 -7.510 2.601 -6.280 1.00 0.00 C ATOM 1285 CG PHE A 81 -6.574 3.271 -5.276 1.00 0.00 C ATOM 1286 CD1 PHE A 81 -6.985 4.424 -4.580 1.00 0.00 C ATOM 1287 CD2 PHE A 81 -5.331 2.686 -4.948 1.00 0.00 C ATOM 1288 CE1 PHE A 81 -6.171 4.993 -3.586 1.00 0.00 C ATOM 1289 CE2 PHE A 81 -4.513 3.255 -3.951 1.00 0.00 C ATOM 1290 CZ PHE A 81 -4.933 4.412 -3.273 1.00 0.00 C ATOM 0 H PHE A 81 -8.848 4.960 -7.724 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.733 3.078 -8.169 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.495 2.536 -5.817 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.158 1.580 -6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.938 4.877 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.005 1.796 -5.465 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.499 5.879 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.563 2.802 -3.708 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.305 4.853 -2.513 1.00 0.00 H new ATOM 1300 N SER A 82 -8.366 1.494 -9.283 1.00 0.00 N ATOM 1301 CA SER A 82 -9.200 0.757 -10.256 1.00 0.00 C ATOM 1302 C SER A 82 -9.044 -0.776 -10.406 1.00 0.00 C ATOM 1303 O SER A 82 -9.697 -1.302 -11.309 1.00 0.00 O ATOM 1304 CB SER A 82 -9.020 1.401 -11.643 1.00 0.00 C ATOM 1305 OG SER A 82 -9.210 2.807 -11.613 1.00 0.00 O ATOM 0 H SER A 82 -7.407 1.149 -9.255 1.00 0.00 H new ATOM 0 HA SER A 82 -10.196 0.851 -9.823 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.020 1.180 -12.017 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.728 0.956 -12.342 1.00 0.00 H new ATOM 0 HG SER A 82 -9.085 3.173 -12.513 1.00 0.00 H new ATOM 1311 N MET A 83 -8.182 -1.497 -9.653 1.00 0.00 N ATOM 1312 CA MET A 83 -8.091 -2.986 -9.654 1.00 0.00 C ATOM 1313 C MET A 83 -9.433 -3.695 -9.971 1.00 0.00 C ATOM 1314 O MET A 83 -10.484 -3.269 -9.491 1.00 0.00 O ATOM 1315 CB MET A 83 -7.643 -3.462 -8.250 1.00 0.00 C ATOM 1316 CG MET A 83 -7.336 -4.969 -8.176 1.00 0.00 C ATOM 1317 SD MET A 83 -6.524 -5.548 -6.653 1.00 0.00 S ATOM 1318 CE MET A 83 -7.843 -5.309 -5.429 1.00 0.00 C ATOM 0 H MET A 83 -7.517 -1.059 -9.015 1.00 0.00 H new ATOM 0 HA MET A 83 -7.380 -3.247 -10.438 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.755 -2.904 -7.953 1.00 0.00 H new ATOM 0 HB3 MET A 83 -8.425 -3.224 -7.529 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.271 -5.516 -8.295 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.703 -5.232 -9.023 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.550 -5.766 -4.484 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.011 -4.243 -5.279 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.761 -5.774 -5.788 1.00 0.00 H new ATOM 1328 N ASP A 84 -9.401 -4.828 -10.686 1.00 0.00 N ATOM 1329 CA ASP A 84 -10.616 -5.533 -11.150 1.00 0.00 C ATOM 1330 C ASP A 84 -11.664 -5.841 -10.055 1.00 0.00 C ATOM 1331 O ASP A 84 -12.867 -5.806 -10.328 1.00 0.00 O ATOM 1332 CB ASP A 84 -10.203 -6.802 -11.904 1.00 0.00 C ATOM 1333 CG ASP A 84 -11.398 -7.480 -12.591 1.00 0.00 C ATOM 1334 OD1 ASP A 84 -11.913 -6.926 -13.594 1.00 0.00 O ATOM 1335 OD2 ASP A 84 -11.809 -8.582 -12.154 1.00 0.00 O ATOM 0 H ASP A 84 -8.533 -5.287 -10.962 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.135 -4.842 -11.815 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.450 -6.550 -12.651 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.740 -7.502 -11.209 1.00 0.00 H new ATOM 1340 N ASP A 85 -11.226 -6.081 -8.812 1.00 0.00 N ATOM 1341 CA ASP A 85 -12.096 -6.277 -7.636 1.00 0.00 C ATOM 1342 C ASP A 85 -11.990 -5.128 -6.596 1.00 0.00 C ATOM 1343 O ASP A 85 -12.579 -5.207 -5.515 1.00 0.00 O ATOM 1344 CB ASP A 85 -11.803 -7.661 -7.034 1.00 0.00 C ATOM 1345 CG ASP A 85 -12.896 -8.124 -6.051 1.00 0.00 C ATOM 1346 OD1 ASP A 85 -14.087 -8.178 -6.448 1.00 0.00 O ATOM 1347 OD2 ASP A 85 -12.565 -8.492 -4.898 1.00 0.00 O ATOM 0 H ASP A 85 -10.233 -6.147 -8.587 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.136 -6.243 -7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.710 -8.391 -7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.844 -7.633 -6.517 1.00 0.00 H new ATOM 1352 N GLY A 86 -11.219 -4.069 -6.890 1.00 0.00 N ATOM 1353 CA GLY A 86 -10.963 -2.926 -6.004 1.00 0.00 C ATOM 1354 C GLY A 86 -10.903 -1.589 -6.744 1.00 0.00 C ATOM 1355 O GLY A 86 -9.820 -1.095 -7.062 1.00 0.00 O ATOM 0 H GLY A 86 -10.739 -3.984 -7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.746 -2.880 -5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.021 -3.086 -5.479 1.00 0.00 H new ATOM 1359 N GLN A 87 -12.043 -0.923 -6.909 1.00 0.00 N ATOM 1360 CA GLN A 87 -12.168 0.370 -7.604 1.00 0.00 C ATOM 1361 C GLN A 87 -12.172 1.495 -6.561 1.00 0.00 C ATOM 1362 O GLN A 87 -13.050 2.358 -6.518 1.00 0.00 O ATOM 1363 CB GLN A 87 -13.421 0.355 -8.504 1.00 0.00 C ATOM 1364 CG GLN A 87 -14.720 -0.022 -7.764 1.00 0.00 C ATOM 1365 CD GLN A 87 -15.931 0.408 -8.582 1.00 0.00 C ATOM 1366 OE1 GLN A 87 -16.603 1.389 -8.281 1.00 0.00 O ATOM 1367 NE2 GLN A 87 -16.213 -0.259 -9.680 1.00 0.00 N ATOM 0 H GLN A 87 -12.934 -1.272 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.320 0.549 -8.265 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.544 1.340 -8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.262 -0.351 -9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.751 -1.098 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.743 0.458 -6.786 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.659 -1.076 -9.937 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.986 0.041 -10.274 1.00 0.00 H new ATOM 1376 N THR A 88 -11.147 1.488 -5.704 1.00 0.00 N ATOM 1377 CA THR A 88 -11.043 2.377 -4.538 1.00 0.00 C ATOM 1378 C THR A 88 -10.600 3.824 -4.651 1.00 0.00 C ATOM 1379 O THR A 88 -10.180 4.394 -3.655 1.00 0.00 O ATOM 1380 CB THR A 88 -10.507 1.635 -3.309 1.00 0.00 C ATOM 1381 OG1 THR A 88 -9.199 1.185 -3.566 1.00 0.00 O ATOM 1382 CG2 THR A 88 -11.370 0.412 -2.994 1.00 0.00 C ATOM 0 H THR A 88 -10.353 0.856 -5.800 1.00 0.00 H new ATOM 0 HA THR A 88 -12.097 2.627 -4.417 1.00 0.00 H new ATOM 0 HB THR A 88 -10.524 2.324 -2.464 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.564 1.700 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.971 -0.099 -2.118 1.00 0.00 H new ATOM 0 HG22 THR A 88 -12.393 0.730 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 88 -11.362 -0.268 -3.846 1.00 0.00 H new ATOM 1390 N ARG A 89 -10.700 4.385 -5.857 1.00 0.00 N ATOM 1391 CA ARG A 89 -10.495 5.804 -6.277 1.00 0.00 C ATOM 1392 C ARG A 89 -10.987 7.002 -5.393 1.00 0.00 C ATOM 1393 O ARG A 89 -11.496 8.006 -5.887 1.00 0.00 O ATOM 1394 CB ARG A 89 -10.978 5.951 -7.748 1.00 0.00 C ATOM 1395 CG ARG A 89 -12.391 5.470 -8.128 1.00 0.00 C ATOM 1396 CD ARG A 89 -13.540 6.169 -7.389 1.00 0.00 C ATOM 1397 NE ARG A 89 -14.840 5.966 -8.066 1.00 0.00 N ATOM 1398 CZ ARG A 89 -15.602 4.887 -8.090 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -15.285 3.771 -7.502 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -16.733 4.897 -8.735 1.00 0.00 N ATOM 0 H ARG A 89 -10.953 3.810 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.422 5.933 -6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.909 7.006 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.269 5.417 -8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.530 5.612 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.456 4.399 -7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.599 5.789 -6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.330 7.236 -7.320 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.196 6.769 -8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.407 3.697 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.914 2.970 -7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -17.034 5.740 -9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.318 4.062 -8.751 1.00 0.00 H new ATOM 1414 N PHE A 90 -10.783 6.940 -4.086 1.00 0.00 N ATOM 1415 CA PHE A 90 -11.031 7.942 -3.051 1.00 0.00 C ATOM 1416 C PHE A 90 -9.850 7.887 -2.049 1.00 0.00 C ATOM 1417 O PHE A 90 -8.970 7.033 -2.171 1.00 0.00 O ATOM 1418 CB PHE A 90 -12.386 7.649 -2.392 1.00 0.00 C ATOM 1419 CG PHE A 90 -12.881 8.743 -1.463 1.00 0.00 C ATOM 1420 CD1 PHE A 90 -13.421 9.927 -2.003 1.00 0.00 C ATOM 1421 CD2 PHE A 90 -12.787 8.594 -0.067 1.00 0.00 C ATOM 1422 CE1 PHE A 90 -13.866 10.954 -1.150 1.00 0.00 C ATOM 1423 CE2 PHE A 90 -13.237 9.618 0.786 1.00 0.00 C ATOM 1424 CZ PHE A 90 -13.773 10.799 0.245 1.00 0.00 C ATOM 0 H PHE A 90 -10.396 6.091 -3.675 1.00 0.00 H new ATOM 0 HA PHE A 90 -11.085 8.952 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.129 7.489 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -12.309 6.719 -1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -13.494 10.047 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.368 7.691 0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -14.279 11.861 -1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -13.171 9.497 1.857 1.00 0.00 H new ATOM 0 HZ PHE A 90 -14.113 11.587 0.900 1.00 0.00 H new ATOM 1434 N THR A 91 -9.783 8.789 -1.065 1.00 0.00 N ATOM 1435 CA THR A 91 -8.664 8.836 -0.100 1.00 0.00 C ATOM 1436 C THR A 91 -8.619 7.531 0.710 1.00 0.00 C ATOM 1437 O THR A 91 -9.531 7.244 1.487 1.00 0.00 O ATOM 1438 CB THR A 91 -8.794 10.052 0.831 1.00 0.00 C ATOM 1439 OG1 THR A 91 -8.915 11.221 0.052 1.00 0.00 O ATOM 1440 CG2 THR A 91 -7.573 10.244 1.730 1.00 0.00 C ATOM 0 H THR A 91 -10.493 9.504 -0.910 1.00 0.00 H new ATOM 0 HA THR A 91 -7.730 8.939 -0.652 1.00 0.00 H new ATOM 0 HB THR A 91 -9.669 9.873 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.000 11.999 0.641 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.722 11.117 2.365 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.438 9.361 2.354 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.686 10.391 1.113 1.00 0.00 H new ATOM 1448 N ASP A 92 -7.538 6.755 0.576 1.00 0.00 N ATOM 1449 CA ASP A 92 -7.417 5.428 1.194 1.00 0.00 C ATOM 1450 C ASP A 92 -7.372 5.500 2.723 1.00 0.00 C ATOM 1451 O ASP A 92 -7.944 4.645 3.390 1.00 0.00 O ATOM 1452 CB ASP A 92 -6.184 4.720 0.617 1.00 0.00 C ATOM 1453 CG ASP A 92 -6.088 3.256 1.083 1.00 0.00 C ATOM 1454 OD1 ASP A 92 -6.841 2.406 0.545 1.00 0.00 O ATOM 1455 OD2 ASP A 92 -5.241 2.952 1.954 1.00 0.00 O ATOM 0 H ASP A 92 -6.719 7.030 0.034 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.308 4.847 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.224 4.752 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.284 5.256 0.919 1.00 0.00 H new ATOM 1460 N LEU A 93 -6.792 6.571 3.284 1.00 0.00 N ATOM 1461 CA LEU A 93 -6.721 6.785 4.733 1.00 0.00 C ATOM 1462 C LEU A 93 -8.107 6.944 5.387 1.00 0.00 C ATOM 1463 O LEU A 93 -8.312 6.485 6.511 1.00 0.00 O ATOM 1464 CB LEU A 93 -5.775 7.976 4.993 1.00 0.00 C ATOM 1465 CG LEU A 93 -5.506 8.289 6.482 1.00 0.00 C ATOM 1466 CD1 LEU A 93 -4.105 8.885 6.647 1.00 0.00 C ATOM 1467 CD2 LEU A 93 -6.489 9.317 7.055 1.00 0.00 C ATOM 0 H LEU A 93 -6.357 7.316 2.740 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.313 5.896 5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.822 7.777 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.197 8.864 4.522 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.616 7.344 7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.924 9.103 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.362 8.172 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.031 9.806 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.254 9.500 8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.407 10.250 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.506 8.933 6.972 1.00 0.00 H new ATOM 1479 N LEU A 94 -9.077 7.535 4.678 1.00 0.00 N ATOM 1480 CA LEU A 94 -10.462 7.658 5.159 1.00 0.00 C ATOM 1481 C LEU A 94 -11.204 6.313 5.081 1.00 0.00 C ATOM 1482 O LEU A 94 -11.958 5.967 5.992 1.00 0.00 O ATOM 1483 CB LEU A 94 -11.193 8.771 4.381 1.00 0.00 C ATOM 1484 CG LEU A 94 -10.587 10.181 4.543 1.00 0.00 C ATOM 1485 CD1 LEU A 94 -11.397 11.195 3.733 1.00 0.00 C ATOM 1486 CD2 LEU A 94 -10.565 10.657 5.999 1.00 0.00 C ATOM 0 H LEU A 94 -8.926 7.942 3.755 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.444 7.940 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.197 8.512 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -12.233 8.799 4.706 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.560 10.113 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.962 12.187 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -11.379 10.916 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -12.427 11.205 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.128 11.654 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.583 10.687 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.968 9.969 6.598 1.00 0.00 H new ATOM 1498 N GLN A 95 -10.950 5.519 4.035 1.00 0.00 N ATOM 1499 CA GLN A 95 -11.495 4.161 3.886 1.00 0.00 C ATOM 1500 C GLN A 95 -10.845 3.136 4.838 1.00 0.00 C ATOM 1501 O GLN A 95 -11.512 2.194 5.263 1.00 0.00 O ATOM 1502 CB GLN A 95 -11.381 3.723 2.410 1.00 0.00 C ATOM 1503 CG GLN A 95 -12.750 3.537 1.732 1.00 0.00 C ATOM 1504 CD GLN A 95 -13.389 4.859 1.305 1.00 0.00 C ATOM 1505 OE1 GLN A 95 -13.360 5.232 0.141 1.00 0.00 O ATOM 1506 NE2 GLN A 95 -13.986 5.617 2.201 1.00 0.00 N ATOM 0 H GLN A 95 -10.353 5.803 3.258 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.546 4.191 4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.807 4.468 1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.825 2.787 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.632 2.897 0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.422 3.020 2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.020 5.322 3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.414 6.499 1.919 1.00 0.00 H new ATOM 1515 N LEU A 96 -9.583 3.330 5.235 1.00 0.00 N ATOM 1516 CA LEU A 96 -8.846 2.467 6.171 1.00 0.00 C ATOM 1517 C LEU A 96 -9.560 2.339 7.526 1.00 0.00 C ATOM 1518 O LEU A 96 -9.558 1.259 8.109 1.00 0.00 O ATOM 1519 CB LEU A 96 -7.404 3.003 6.291 1.00 0.00 C ATOM 1520 CG LEU A 96 -6.437 2.157 7.151 1.00 0.00 C ATOM 1521 CD1 LEU A 96 -5.000 2.350 6.660 1.00 0.00 C ATOM 1522 CD2 LEU A 96 -6.447 2.553 8.634 1.00 0.00 C ATOM 0 H LEU A 96 -9.026 4.118 4.904 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.809 1.449 5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.985 3.091 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.445 4.009 6.709 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.777 1.126 7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.324 1.751 7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.926 2.034 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.726 3.402 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.748 1.923 9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.150 3.597 8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.450 2.421 9.039 1.00 0.00 H new ATOM 1534 N VAL A 97 -10.237 3.397 7.987 1.00 0.00 N ATOM 1535 CA VAL A 97 -11.056 3.384 9.219 1.00 0.00 C ATOM 1536 C VAL A 97 -12.141 2.292 9.172 1.00 0.00 C ATOM 1537 O VAL A 97 -12.377 1.610 10.168 1.00 0.00 O ATOM 1538 CB VAL A 97 -11.695 4.770 9.463 1.00 0.00 C ATOM 1539 CG1 VAL A 97 -12.478 4.823 10.782 1.00 0.00 C ATOM 1540 CG2 VAL A 97 -10.633 5.878 9.524 1.00 0.00 C ATOM 0 H VAL A 97 -10.236 4.301 7.514 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.391 3.152 10.051 1.00 0.00 H new ATOM 0 HB VAL A 97 -12.370 4.930 8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.909 5.816 10.910 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -13.276 4.081 10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -11.806 4.609 11.613 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -11.119 6.838 9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -9.938 5.671 10.338 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.088 5.912 8.581 1.00 0.00 H new ATOM 1550 N GLU A 98 -12.776 2.090 8.012 1.00 0.00 N ATOM 1551 CA GLU A 98 -13.754 1.018 7.774 1.00 0.00 C ATOM 1552 C GLU A 98 -13.071 -0.329 7.481 1.00 0.00 C ATOM 1553 O GLU A 98 -13.422 -1.348 8.073 1.00 0.00 O ATOM 1554 CB GLU A 98 -14.679 1.449 6.621 1.00 0.00 C ATOM 1555 CG GLU A 98 -15.756 0.418 6.266 1.00 0.00 C ATOM 1556 CD GLU A 98 -16.842 0.300 7.355 1.00 0.00 C ATOM 1557 OE1 GLU A 98 -16.630 -0.413 8.364 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -17.922 0.926 7.207 1.00 0.00 O ATOM 0 H GLU A 98 -12.622 2.679 7.194 1.00 0.00 H new ATOM 0 HA GLU A 98 -14.344 0.863 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -15.164 2.388 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.073 1.645 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -16.222 0.695 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -15.288 -0.555 6.117 1.00 0.00 H new ATOM 1565 N PHE A 99 -12.070 -0.354 6.595 1.00 0.00 N ATOM 1566 CA PHE A 99 -11.356 -1.587 6.233 1.00 0.00 C ATOM 1567 C PHE A 99 -10.548 -2.220 7.382 1.00 0.00 C ATOM 1568 O PHE A 99 -10.242 -3.406 7.306 1.00 0.00 O ATOM 1569 CB PHE A 99 -10.459 -1.317 5.012 1.00 0.00 C ATOM 1570 CG PHE A 99 -11.192 -1.167 3.688 1.00 0.00 C ATOM 1571 CD1 PHE A 99 -12.126 -2.135 3.264 1.00 0.00 C ATOM 1572 CD2 PHE A 99 -10.909 -0.070 2.852 1.00 0.00 C ATOM 1573 CE1 PHE A 99 -12.796 -1.985 2.037 1.00 0.00 C ATOM 1574 CE2 PHE A 99 -11.570 0.072 1.617 1.00 0.00 C ATOM 1575 CZ PHE A 99 -12.522 -0.880 1.214 1.00 0.00 C ATOM 0 H PHE A 99 -11.731 0.476 6.109 1.00 0.00 H new ATOM 0 HA PHE A 99 -12.118 -2.327 5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.886 -0.408 5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.742 -2.133 4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -12.328 -2.996 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -10.181 0.666 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -13.523 -2.721 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.345 0.914 0.979 1.00 0.00 H new ATOM 0 HZ PHE A 99 -13.041 -0.762 0.274 1.00 0.00 H new ATOM 1585 N HIS A 100 -10.226 -1.477 8.450 1.00 0.00 N ATOM 1586 CA HIS A 100 -9.386 -1.892 9.589 1.00 0.00 C ATOM 1587 C HIS A 100 -9.610 -3.340 10.077 1.00 0.00 C ATOM 1588 O HIS A 100 -8.643 -4.082 10.252 1.00 0.00 O ATOM 1589 CB HIS A 100 -9.625 -0.883 10.733 1.00 0.00 C ATOM 1590 CG HIS A 100 -8.999 -1.274 12.050 1.00 0.00 C ATOM 1591 ND1 HIS A 100 -9.682 -1.596 13.211 1.00 0.00 N ATOM 1592 CD2 HIS A 100 -7.660 -1.387 12.308 1.00 0.00 C ATOM 1593 CE1 HIS A 100 -8.773 -1.904 14.158 1.00 0.00 C ATOM 1594 NE2 HIS A 100 -7.536 -1.785 13.628 1.00 0.00 N ATOM 0 H HIS A 100 -10.561 -0.519 8.551 1.00 0.00 H new ATOM 0 HA HIS A 100 -8.350 -1.889 9.250 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -9.233 0.088 10.432 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -10.699 -0.763 10.876 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -6.854 -1.201 11.614 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -8.997 -2.197 15.173 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -6.658 -1.959 14.118 1.00 0.00 H new ATOM 1603 N GLN A 101 -10.868 -3.731 10.313 1.00 0.00 N ATOM 1604 CA GLN A 101 -11.241 -5.061 10.813 1.00 0.00 C ATOM 1605 C GLN A 101 -11.290 -6.141 9.713 1.00 0.00 C ATOM 1606 O GLN A 101 -10.716 -7.216 9.890 1.00 0.00 O ATOM 1607 CB GLN A 101 -12.508 -4.997 11.698 1.00 0.00 C ATOM 1608 CG GLN A 101 -13.841 -4.539 11.067 1.00 0.00 C ATOM 1609 CD GLN A 101 -13.970 -3.034 10.791 1.00 0.00 C ATOM 1610 OE1 GLN A 101 -13.123 -2.220 11.134 1.00 0.00 O ATOM 1611 NE2 GLN A 101 -15.031 -2.613 10.139 1.00 0.00 N ATOM 0 H GLN A 101 -11.671 -3.121 10.159 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.433 -5.395 11.464 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -12.667 -5.991 12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -12.293 -4.330 12.533 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.979 -5.074 10.127 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -14.655 -4.839 11.727 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.747 -3.278 9.846 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -15.139 -1.621 9.926 1.00 0.00 H new ATOM 1620 N LEU A 102 -11.946 -5.854 8.578 1.00 0.00 N ATOM 1621 CA LEU A 102 -12.050 -6.730 7.401 1.00 0.00 C ATOM 1622 C LEU A 102 -11.704 -5.920 6.132 1.00 0.00 C ATOM 1623 O LEU A 102 -12.559 -5.253 5.542 1.00 0.00 O ATOM 1624 CB LEU A 102 -13.462 -7.358 7.286 1.00 0.00 C ATOM 1625 CG LEU A 102 -13.875 -8.516 8.223 1.00 0.00 C ATOM 1626 CD1 LEU A 102 -12.833 -9.631 8.313 1.00 0.00 C ATOM 1627 CD2 LEU A 102 -14.250 -8.070 9.636 1.00 0.00 C ATOM 0 H LEU A 102 -12.438 -4.970 8.450 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.342 -7.551 7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.186 -6.555 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.575 -7.714 6.262 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.770 -8.912 7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.190 -10.409 8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.669 -10.056 7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.896 -9.224 8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.527 -8.940 10.231 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.398 -7.571 10.098 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.092 -7.380 9.588 1.00 0.00 H new ATOM 1639 N ASN A 103 -10.428 -5.960 5.741 1.00 0.00 N ATOM 1640 CA ASN A 103 -9.884 -5.235 4.582 1.00 0.00 C ATOM 1641 C ASN A 103 -10.361 -5.815 3.224 1.00 0.00 C ATOM 1642 O ASN A 103 -11.060 -6.828 3.172 1.00 0.00 O ATOM 1643 CB ASN A 103 -8.340 -5.185 4.678 1.00 0.00 C ATOM 1644 CG ASN A 103 -7.785 -4.904 6.069 1.00 0.00 C ATOM 1645 OD1 ASN A 103 -7.800 -5.769 6.934 1.00 0.00 O ATOM 1646 ND2 ASN A 103 -7.239 -3.734 6.314 1.00 0.00 N ATOM 0 H ASN A 103 -9.724 -6.511 6.232 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.275 -4.218 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.939 -6.137 4.330 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.974 -4.417 3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.826 -3.545 7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.228 -3.015 5.591 1.00 0.00 H new ATOM 1653 N ARG A 104 -9.972 -5.186 2.098 1.00 0.00 N ATOM 1654 CA ARG A 104 -10.348 -5.635 0.738 1.00 0.00 C ATOM 1655 C ARG A 104 -9.380 -6.631 0.070 1.00 0.00 C ATOM 1656 O ARG A 104 -9.683 -7.124 -1.015 1.00 0.00 O ATOM 1657 CB ARG A 104 -10.614 -4.396 -0.130 1.00 0.00 C ATOM 1658 CG ARG A 104 -9.350 -3.579 -0.462 1.00 0.00 C ATOM 1659 CD ARG A 104 -9.768 -2.170 -0.885 1.00 0.00 C ATOM 1660 NE ARG A 104 -8.620 -1.369 -1.352 1.00 0.00 N ATOM 1661 CZ ARG A 104 -8.058 -0.323 -0.768 1.00 0.00 C ATOM 1662 NH1 ARG A 104 -8.372 0.097 0.417 1.00 0.00 N ATOM 1663 NH2 ARG A 104 -7.137 0.376 -1.354 1.00 0.00 N ATOM 0 H ARG A 104 -9.387 -4.350 2.103 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.256 -6.229 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.085 -4.712 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.326 -3.751 0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.692 -3.532 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.788 -4.062 -1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.511 -2.236 -1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.244 -1.665 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.207 -1.659 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.091 -0.386 0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.900 0.911 0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.826 0.125 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.723 1.177 -0.877 1.00 0.00 H new ATOM 1677 N GLY A 105 -8.242 -6.927 0.709 1.00 0.00 N ATOM 1678 CA GLY A 105 -7.161 -7.771 0.166 1.00 0.00 C ATOM 1679 C GLY A 105 -6.644 -7.362 -1.227 1.00 0.00 C ATOM 1680 O GLY A 105 -6.867 -6.247 -1.703 1.00 0.00 O ATOM 0 H GLY A 105 -8.038 -6.578 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.325 -7.756 0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.516 -8.800 0.116 1.00 0.00 H new ATOM 1684 N ILE A 106 -5.876 -8.270 -1.838 1.00 0.00 N ATOM 1685 CA ILE A 106 -5.380 -8.174 -3.233 1.00 0.00 C ATOM 1686 C ILE A 106 -6.433 -8.852 -4.151 1.00 0.00 C ATOM 1687 O ILE A 106 -7.501 -9.212 -3.659 1.00 0.00 O ATOM 1688 CB ILE A 106 -3.981 -8.845 -3.299 1.00 0.00 C ATOM 1689 CG1 ILE A 106 -3.112 -8.275 -4.442 1.00 0.00 C ATOM 1690 CG2 ILE A 106 -4.080 -10.377 -3.365 1.00 0.00 C ATOM 1691 CD1 ILE A 106 -1.692 -8.860 -4.486 1.00 0.00 C ATOM 0 H ILE A 106 -5.568 -9.122 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.257 -7.145 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.474 -8.598 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.606 -8.470 -5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.047 -7.193 -4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.078 -10.805 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.593 -10.747 -2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.639 -10.668 -4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.140 -8.414 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.180 -8.643 -3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.747 -9.939 -4.627 1.00 0.00 H new ATOM 1703 N LEU A 107 -6.213 -9.026 -5.466 1.00 0.00 N ATOM 1704 CA LEU A 107 -7.157 -9.806 -6.297 1.00 0.00 C ATOM 1705 C LEU A 107 -7.243 -11.262 -5.725 1.00 0.00 C ATOM 1706 O LEU A 107 -6.232 -11.973 -5.762 1.00 0.00 O ATOM 1707 CB LEU A 107 -6.702 -9.782 -7.773 1.00 0.00 C ATOM 1708 CG LEU A 107 -7.602 -8.909 -8.668 1.00 0.00 C ATOM 1709 CD1 LEU A 107 -6.942 -8.716 -10.033 1.00 0.00 C ATOM 1710 CD2 LEU A 107 -8.972 -9.558 -8.875 1.00 0.00 C ATOM 0 H LEU A 107 -5.411 -8.649 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.154 -9.367 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.678 -9.411 -7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.692 -10.801 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.736 -7.948 -8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.582 -8.098 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.977 -8.226 -9.905 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.795 -9.687 -10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.585 -8.919 -9.511 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.846 -10.530 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.463 -9.688 -7.910 1.00 0.00 H new ATOM 1722 N PRO A 108 -8.364 -11.706 -5.109 1.00 0.00 N ATOM 1723 CA PRO A 108 -8.240 -12.339 -3.782 1.00 0.00 C ATOM 1724 C PRO A 108 -8.327 -13.872 -3.676 1.00 0.00 C ATOM 1725 O PRO A 108 -8.951 -14.569 -4.481 1.00 0.00 O ATOM 1726 CB PRO A 108 -9.388 -11.748 -2.950 1.00 0.00 C ATOM 1727 CG PRO A 108 -10.485 -11.569 -3.994 1.00 0.00 C ATOM 1728 CD PRO A 108 -9.699 -11.114 -5.221 1.00 0.00 C ATOM 0 HA PRO A 108 -7.223 -12.130 -3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -9.696 -12.418 -2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.109 -10.802 -2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -11.025 -12.498 -4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.222 -10.827 -3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.191 -11.439 -6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.638 -10.026 -5.260 1.00 0.00 H new ATOM 1736 N CYS A 109 -7.747 -14.353 -2.577 1.00 0.00 N ATOM 1737 CA CYS A 109 -7.723 -15.703 -2.027 1.00 0.00 C ATOM 1738 C CYS A 109 -8.116 -15.573 -0.531 1.00 0.00 C ATOM 1739 O CYS A 109 -8.955 -16.326 -0.033 1.00 0.00 O ATOM 1740 CB CYS A 109 -6.324 -16.293 -2.227 1.00 0.00 C ATOM 1741 SG CYS A 109 -6.318 -17.414 -3.655 1.00 0.00 S ATOM 0 H CYS A 109 -7.216 -13.722 -1.977 1.00 0.00 H new ATOM 0 HA CYS A 109 -8.421 -16.379 -2.521 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.601 -15.492 -2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -6.016 -16.832 -1.331 1.00 0.00 H new ATOM 0 HG CYS A 109 -5.125 -17.906 -3.815 1.00 0.00 H new ATOM 1747 N LEU A 110 -7.551 -14.565 0.150 1.00 0.00 N ATOM 1748 CA LEU A 110 -7.803 -14.092 1.522 1.00 0.00 C ATOM 1749 C LEU A 110 -7.979 -12.554 1.456 1.00 0.00 C ATOM 1750 O LEU A 110 -7.502 -11.925 0.507 1.00 0.00 O ATOM 1751 CB LEU A 110 -6.648 -14.455 2.491 1.00 0.00 C ATOM 1752 CG LEU A 110 -6.486 -15.910 2.983 1.00 0.00 C ATOM 1753 CD1 LEU A 110 -7.775 -16.473 3.581 1.00 0.00 C ATOM 1754 CD2 LEU A 110 -5.959 -16.884 1.932 1.00 0.00 C ATOM 0 H LEU A 110 -6.828 -13.999 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.697 -14.579 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.715 -14.171 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.753 -13.824 3.373 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.725 -15.829 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.606 -17.498 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.078 -15.863 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.562 -16.460 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.878 -17.880 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.645 -16.913 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.977 -16.556 1.592 1.00 0.00 H new ATOM 1766 N LEU A 111 -8.636 -11.923 2.447 1.00 0.00 N ATOM 1767 CA LEU A 111 -8.941 -10.475 2.394 1.00 0.00 C ATOM 1768 C LEU A 111 -8.400 -9.569 3.520 1.00 0.00 C ATOM 1769 O LEU A 111 -8.245 -8.373 3.280 1.00 0.00 O ATOM 1770 CB LEU A 111 -10.436 -10.245 2.071 1.00 0.00 C ATOM 1771 CG LEU A 111 -11.546 -10.610 3.080 1.00 0.00 C ATOM 1772 CD1 LEU A 111 -11.753 -12.118 3.245 1.00 0.00 C ATOM 1773 CD2 LEU A 111 -11.367 -9.996 4.468 1.00 0.00 C ATOM 0 H LEU A 111 -8.966 -12.388 3.292 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.331 -10.115 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.551 -9.185 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.650 -10.793 1.153 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.432 -10.171 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -12.548 -12.299 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.030 -12.554 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.829 -12.576 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.191 -10.305 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.424 -10.336 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.358 -8.909 4.387 1.00 0.00 H new ATOM 1785 N ARG A 112 -8.077 -10.079 4.717 1.00 0.00 N ATOM 1786 CA ARG A 112 -7.620 -9.228 5.840 1.00 0.00 C ATOM 1787 C ARG A 112 -6.130 -8.883 5.734 1.00 0.00 C ATOM 1788 O ARG A 112 -5.332 -9.725 5.329 1.00 0.00 O ATOM 1789 CB ARG A 112 -8.021 -9.831 7.201 1.00 0.00 C ATOM 1790 CG ARG A 112 -7.286 -11.133 7.572 1.00 0.00 C ATOM 1791 CD ARG A 112 -7.813 -11.730 8.884 1.00 0.00 C ATOM 1792 NE ARG A 112 -7.513 -10.870 10.050 1.00 0.00 N ATOM 1793 CZ ARG A 112 -8.030 -10.976 11.263 1.00 0.00 C ATOM 1794 NH1 ARG A 112 -8.892 -11.904 11.570 1.00 0.00 N ATOM 1795 NH2 ARG A 112 -7.681 -10.146 12.204 1.00 0.00 N ATOM 0 H ARG A 112 -8.122 -11.074 4.938 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.140 -8.273 5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.835 -9.091 7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.094 -10.025 7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.405 -11.860 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -6.218 -10.934 7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -8.891 -11.874 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -7.370 -12.714 9.037 1.00 0.00 H new ATOM 0 HE ARG A 112 -6.839 -10.119 9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -9.188 -12.578 10.864 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -9.270 -11.956 12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -7.005 -9.408 12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -8.084 -10.234 13.137 1.00 0.00 H new ATOM 1809 N HIS A 113 -5.752 -7.653 6.097 1.00 0.00 N ATOM 1810 CA HIS A 113 -4.363 -7.168 6.054 1.00 0.00 C ATOM 1811 C HIS A 113 -3.663 -7.249 7.418 1.00 0.00 C ATOM 1812 O HIS A 113 -4.288 -7.158 8.478 1.00 0.00 O ATOM 1813 CB HIS A 113 -4.258 -5.724 5.533 1.00 0.00 C ATOM 1814 CG HIS A 113 -4.872 -5.358 4.201 1.00 0.00 C ATOM 1815 ND1 HIS A 113 -5.137 -4.043 3.809 1.00 0.00 N ATOM 1816 CD2 HIS A 113 -5.147 -6.187 3.149 1.00 0.00 C ATOM 1817 CE1 HIS A 113 -5.538 -4.100 2.532 1.00 0.00 C ATOM 1818 NE2 HIS A 113 -5.565 -5.375 2.112 1.00 0.00 N ATOM 0 H HIS A 113 -6.412 -6.952 6.435 1.00 0.00 H new ATOM 0 HA HIS A 113 -3.858 -7.837 5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -4.704 -5.074 6.286 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -3.198 -5.473 5.482 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -5.043 -3.205 4.382 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -5.056 -7.263 3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -5.801 -3.244 1.928 1.00 0.00 H new ATOM 1826 N CYS A 114 -2.340 -7.385 7.351 1.00 0.00 N ATOM 1827 CA CYS A 114 -1.381 -7.386 8.448 1.00 0.00 C ATOM 1828 C CYS A 114 -0.111 -6.616 8.008 1.00 0.00 C ATOM 1829 O CYS A 114 0.077 -6.358 6.820 1.00 0.00 O ATOM 1830 CB CYS A 114 -1.088 -8.826 8.919 1.00 0.00 C ATOM 1831 SG CYS A 114 -2.213 -10.126 8.294 1.00 0.00 S ATOM 0 H CYS A 114 -1.875 -7.507 6.451 1.00 0.00 H new ATOM 0 HA CYS A 114 -1.797 -6.871 9.314 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -0.071 -9.083 8.624 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -1.117 -8.843 10.008 1.00 0.00 H new ATOM 0 HG CYS A 114 -1.848 -11.280 8.767 1.00 0.00 H new ATOM 1837 N CYS A 115 0.817 -6.320 8.917 1.00 0.00 N ATOM 1838 CA CYS A 115 1.986 -5.479 8.602 1.00 0.00 C ATOM 1839 C CYS A 115 3.255 -6.295 8.291 1.00 0.00 C ATOM 1840 O CYS A 115 3.599 -7.217 9.035 1.00 0.00 O ATOM 1841 CB CYS A 115 2.212 -4.512 9.769 1.00 0.00 C ATOM 1842 SG CYS A 115 0.714 -3.522 10.075 1.00 0.00 S ATOM 0 H CYS A 115 0.787 -6.648 9.882 1.00 0.00 H new ATOM 0 HA CYS A 115 1.775 -4.924 7.688 1.00 0.00 H new ATOM 0 HB2 CYS A 115 2.475 -5.071 10.667 1.00 0.00 H new ATOM 0 HB3 CYS A 115 3.051 -3.853 9.546 1.00 0.00 H new ATOM 0 HG CYS A 115 1.054 -2.332 10.473 1.00 0.00 H new ATOM 1848 N THR A 116 3.957 -5.950 7.201 1.00 0.00 N ATOM 1849 CA THR A 116 5.158 -6.666 6.716 1.00 0.00 C ATOM 1850 C THR A 116 6.468 -5.874 6.857 1.00 0.00 C ATOM 1851 O THR A 116 6.462 -4.649 7.003 1.00 0.00 O ATOM 1852 CB THR A 116 4.959 -7.165 5.275 1.00 0.00 C ATOM 1853 OG1 THR A 116 5.809 -8.269 5.069 1.00 0.00 O ATOM 1854 CG2 THR A 116 5.253 -6.131 4.187 1.00 0.00 C ATOM 0 H THR A 116 3.705 -5.152 6.618 1.00 0.00 H new ATOM 0 HA THR A 116 5.271 -7.526 7.376 1.00 0.00 H new ATOM 0 HB THR A 116 3.901 -7.413 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.695 -8.603 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 116 5.084 -6.576 3.207 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.594 -5.272 4.314 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.291 -5.806 4.264 1.00 0.00 H new ATOM 1862 N ARG A 117 7.605 -6.582 6.791 1.00 0.00 N ATOM 1863 CA ARG A 117 8.969 -6.019 6.872 1.00 0.00 C ATOM 1864 C ARG A 117 9.327 -5.179 5.637 1.00 0.00 C ATOM 1865 O ARG A 117 8.937 -5.512 4.518 1.00 0.00 O ATOM 1866 CB ARG A 117 9.990 -7.161 7.041 1.00 0.00 C ATOM 1867 CG ARG A 117 9.885 -7.864 8.408 1.00 0.00 C ATOM 1868 CD ARG A 117 10.781 -9.109 8.501 1.00 0.00 C ATOM 1869 NE ARG A 117 12.213 -8.789 8.313 1.00 0.00 N ATOM 1870 CZ ARG A 117 12.967 -9.040 7.253 1.00 0.00 C ATOM 1871 NH1 ARG A 117 12.515 -9.626 6.187 1.00 0.00 N ATOM 1872 NH2 ARG A 117 14.218 -8.706 7.231 1.00 0.00 N ATOM 0 H ARG A 117 7.605 -7.596 6.676 1.00 0.00 H new ATOM 0 HA ARG A 117 9.001 -5.356 7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.841 -7.895 6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.997 -6.762 6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 117 10.161 -7.163 9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.849 -8.152 8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.642 -9.582 9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.471 -9.833 7.747 1.00 0.00 H new ATOM 0 HE ARG A 117 12.675 -8.319 9.092 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.538 -9.916 6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.137 -9.797 5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 117 14.636 -8.243 8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.785 -8.906 6.407 1.00 0.00 H new ATOM 1966 N PRO B1137 5.685 -8.075 -12.364 1.00 0.00 N ATOM 1967 CA PRO B1137 4.864 -6.962 -12.863 1.00 0.00 C ATOM 1968 C PRO B1137 5.107 -5.651 -12.094 1.00 0.00 C ATOM 1969 O PRO B1137 5.627 -5.666 -10.983 1.00 0.00 O ATOM 1970 CB PRO B1137 3.418 -7.444 -12.692 1.00 0.00 C ATOM 1971 CG PRO B1137 3.496 -8.314 -11.439 1.00 0.00 C ATOM 1972 CD PRO B1137 4.855 -8.991 -11.587 1.00 0.00 C ATOM 0 HA PRO B1137 5.111 -6.723 -13.898 1.00 0.00 H new ATOM 0 HB2 PRO B1137 2.727 -6.611 -12.563 1.00 0.00 H new ATOM 0 HB3 PRO B1137 3.076 -8.011 -13.558 1.00 0.00 H new ATOM 0 HG2 PRO B1137 3.437 -7.719 -10.528 1.00 0.00 H new ATOM 0 HG3 PRO B1137 2.684 -9.040 -11.398 1.00 0.00 H new ATOM 0 HD2 PRO B1137 5.300 -9.187 -10.612 1.00 0.00 H new ATOM 0 HD3 PRO B1137 4.758 -9.952 -12.092 1.00 0.00 H new ATOM 1980 N GLU B1138 4.717 -4.513 -12.677 1.00 0.00 N ATOM 1981 CA GLU B1138 4.825 -3.188 -12.040 1.00 0.00 C ATOM 1982 C GLU B1138 3.667 -2.881 -11.066 1.00 0.00 C ATOM 1983 O GLU B1138 3.737 -3.236 -9.888 1.00 0.00 O ATOM 1984 CB GLU B1138 5.026 -2.095 -13.113 1.00 0.00 C ATOM 1985 CG GLU B1138 6.500 -1.938 -13.476 1.00 0.00 C ATOM 1986 CD GLU B1138 6.695 -1.075 -14.732 1.00 0.00 C ATOM 1987 OE1 GLU B1138 6.666 -1.620 -15.862 1.00 0.00 O ATOM 1988 OE2 GLU B1138 6.919 0.152 -14.581 1.00 0.00 O ATOM 0 H GLU B1138 4.313 -4.481 -13.613 1.00 0.00 H new ATOM 0 HA GLU B1138 5.711 -3.198 -11.406 1.00 0.00 H new ATOM 0 HB2 GLU B1138 4.455 -2.349 -14.006 1.00 0.00 H new ATOM 0 HB3 GLU B1138 4.637 -1.146 -12.745 1.00 0.00 H new ATOM 0 HG2 GLU B1138 7.033 -1.486 -12.639 1.00 0.00 H new ATOM 0 HG3 GLU B1138 6.940 -2.922 -13.640 1.00 0.00 H new ATOM 2019 N VAL B1140 -0.944 -1.959 -10.356 1.00 0.00 N ATOM 2020 CA VAL B1140 -2.372 -2.361 -10.376 1.00 0.00 C ATOM 2021 C VAL B1140 -3.061 -1.032 -10.474 1.00 0.00 C ATOM 2022 O VAL B1140 -2.672 -0.016 -9.915 1.00 0.00 O ATOM 2023 CB VAL B1140 -2.942 -3.056 -9.104 1.00 0.00 C ATOM 2024 CG1 VAL B1140 -4.415 -3.439 -9.229 1.00 0.00 C ATOM 2025 CG2 VAL B1140 -2.212 -4.371 -8.817 1.00 0.00 C ATOM 0 HA VAL B1140 -2.514 -3.097 -11.168 1.00 0.00 H new ATOM 0 HB VAL B1140 -2.806 -2.318 -8.313 1.00 0.00 H new ATOM 0 HG11 VAL B1140 -4.746 -3.918 -8.308 1.00 0.00 H new ATOM 0 HG12 VAL B1140 -5.010 -2.543 -9.406 1.00 0.00 H new ATOM 0 HG13 VAL B1140 -4.542 -4.129 -10.063 1.00 0.00 H new ATOM 0 HG21 VAL B1140 -2.632 -4.833 -7.923 1.00 0.00 H new ATOM 0 HG22 VAL B1140 -2.331 -5.046 -9.665 1.00 0.00 H new ATOM 0 HG23 VAL B1140 -1.152 -4.172 -8.658 1.00 0.00 H new ATOM 2035 N ASN B1141 -4.073 -1.201 -11.281 1.00 0.00 N ATOM 2036 CA ASN B1141 -5.049 -0.413 -11.987 1.00 0.00 C ATOM 2037 C ASN B1141 -4.621 -1.006 -13.399 1.00 0.00 C ATOM 2038 O ASN B1141 -5.461 -1.168 -14.278 1.00 0.00 O ATOM 2039 CB ASN B1141 -5.027 1.060 -11.530 1.00 0.00 C ATOM 2040 CG ASN B1141 -5.269 1.113 -10.029 1.00 0.00 C ATOM 2041 OD1 ASN B1141 -5.933 0.268 -9.457 1.00 0.00 O ATOM 2042 ND2 ASN B1141 -4.657 1.996 -9.289 1.00 0.00 N ATOM 0 H ASN B1141 -4.276 -2.173 -11.514 1.00 0.00 H new ATOM 0 HA ASN B1141 -6.132 -0.452 -11.873 1.00 0.00 H new ATOM 0 HB2 ASN B1141 -4.067 1.516 -11.774 1.00 0.00 H new ATOM 0 HB3 ASN B1141 -5.793 1.629 -12.056 1.00 0.00 H new ATOM 0 HD21 ASN B1141 -4.746 1.960 -8.274 1.00 0.00 H new ATOM 0 HD22 ASN B1141 -4.090 2.722 -9.726 1.00 0.00 H new ATOM 2049 N GLN B1142 -3.317 -1.438 -13.542 1.00 0.00 N ATOM 2050 CA GLN B1142 -2.693 -2.206 -14.582 1.00 0.00 C ATOM 2051 C GLN B1142 -1.841 -3.424 -14.090 1.00 0.00 C ATOM 2052 O GLN B1142 -2.405 -4.216 -13.330 1.00 0.00 O ATOM 2053 CB GLN B1142 -2.045 -1.273 -15.585 1.00 0.00 C ATOM 2054 CG GLN B1142 -2.996 -0.491 -16.520 1.00 0.00 C ATOM 2055 CD GLN B1142 -3.229 0.981 -16.165 1.00 0.00 C ATOM 2056 OE1 GLN B1142 -2.403 1.844 -16.414 1.00 0.00 O ATOM 2057 NE2 GLN B1142 -4.369 1.346 -15.612 1.00 0.00 N ATOM 0 H GLN B1142 -2.634 -1.205 -12.822 1.00 0.00 H new ATOM 0 HA GLN B1142 -3.469 -2.744 -15.126 1.00 0.00 H new ATOM 0 HB2 GLN B1142 -1.438 -0.552 -15.037 1.00 0.00 H new ATOM 0 HB3 GLN B1142 -1.364 -1.858 -16.204 1.00 0.00 H new ATOM 0 HG2 GLN B1142 -2.598 -0.541 -17.534 1.00 0.00 H new ATOM 0 HG3 GLN B1142 -3.961 -0.998 -16.531 1.00 0.00 H new ATOM 0 HE21 GLN B1142 -5.077 0.645 -15.393 1.00 0.00 H new ATOM 0 HE22 GLN B1142 -4.543 2.329 -15.403 1.00 0.00 H new ATOM 2066 N PRO B1143 -0.623 -3.731 -14.604 1.00 0.00 N ATOM 2067 CA PRO B1143 0.630 -3.003 -14.321 1.00 0.00 C ATOM 2068 C PRO B1143 0.919 -1.884 -15.317 1.00 0.00 C ATOM 2069 O PRO B1143 1.022 -2.115 -16.523 1.00 0.00 O ATOM 2070 CB PRO B1143 1.744 -4.054 -14.294 1.00 0.00 C ATOM 2071 CG PRO B1143 1.210 -5.158 -15.199 1.00 0.00 C ATOM 2072 CD PRO B1143 -0.279 -5.123 -14.884 1.00 0.00 C ATOM 0 HA PRO B1143 0.551 -2.487 -13.364 1.00 0.00 H new ATOM 0 HB2 PRO B1143 2.686 -3.651 -14.665 1.00 0.00 H new ATOM 0 HB3 PRO B1143 1.929 -4.417 -13.283 1.00 0.00 H new ATOM 0 HG2 PRO B1143 1.410 -4.957 -16.251 1.00 0.00 H new ATOM 0 HG3 PRO B1143 1.654 -6.126 -14.969 1.00 0.00 H new ATOM 0 HD2 PRO B1143 -0.860 -5.502 -15.724 1.00 0.00 H new ATOM 0 HD3 PRO B1143 -0.507 -5.757 -14.027 1.00 0.00 H new ATOM 2080 N ASP B1144 1.044 -0.680 -14.740 1.00 0.00 N ATOM 2081 CA ASP B1144 1.166 0.620 -15.407 1.00 0.00 C ATOM 2082 C ASP B1144 1.684 0.629 -16.871 1.00 0.00 C ATOM 2083 O ASP B1144 0.883 0.939 -17.784 1.00 0.00 O ATOM 2084 CB ASP B1144 1.983 1.597 -14.540 1.00 0.00 C ATOM 2085 CG ASP B1144 2.191 2.977 -15.214 1.00 0.00 C ATOM 2086 OD1 ASP B1144 1.192 3.694 -15.467 1.00 0.00 O ATOM 2087 OD2 ASP B1144 3.357 3.374 -15.463 1.00 0.00 O ATOM 2088 OXT ASP B1144 2.889 0.367 -17.107 1.00 0.00 O ATOM 0 H ASP B1144 1.064 -0.585 -13.725 1.00 0.00 H new ATOM 0 HA ASP B1144 0.131 0.947 -15.506 1.00 0.00 H new ATOM 0 HB2 ASP B1144 1.476 1.738 -13.585 1.00 0.00 H new ATOM 0 HB3 ASP B1144 2.955 1.155 -14.322 1.00 0.00 H new