USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 17 HIS : no HD1:sc= -2.6! C(o=-17!,f=-15!) USER MOD Set 1.2: A 107 GLN : amide:sc= -14.2! C(o=-17!,f=-22!) USER MOD Set 2.1: A 53 CYS SG : rot -112:sc= 0.0458 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -5.85! C(o=-5.8!,f=-20!) USER MOD Single : A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.17) USER MOD Single : A 33 SER OG : rot 60:sc= -1.92! USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -0.0196 (180deg=-0.194) USER MOD Single : A 35 THR OG1 : rot -62:sc= 0.156 USER MOD Single : A 36 ASN : amide:sc= -4.11! C(o=-4.1!,f=-11!) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= -0.873 (180deg=-1.37) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -4.58 K(o=-4.6,f=-2.7) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 94:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= -0.0161 (180deg=-0.192) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 25:sc= -1.33! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 86 GLN : amide:sc= -0.427 K(o=-0.43,f=-4.8!) USER MOD Single : A 90 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.57) USER MOD Single : A 91 TYR OH : rot -120:sc= -0.152 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 172:sc= -0.419 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 111:sc= -19.7! USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.0041 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 2.560 -8.024 -0.779 1.00 0.00 N ATOM 210 CA TRP A 15 2.474 -6.575 -0.600 1.00 0.00 C ATOM 211 C TRP A 15 1.691 -6.172 0.653 1.00 0.00 C ATOM 212 O TRP A 15 1.231 -5.046 0.771 1.00 0.00 O ATOM 213 CB TRP A 15 1.840 -5.932 -1.847 1.00 0.00 C ATOM 214 CG TRP A 15 0.566 -6.658 -2.272 1.00 0.00 C ATOM 215 CD1 TRP A 15 -0.097 -7.637 -1.539 1.00 0.00 C ATOM 216 CD2 TRP A 15 -0.181 -6.469 -3.483 1.00 0.00 C ATOM 217 NE1 TRP A 15 -1.201 -8.058 -2.220 1.00 0.00 N ATOM 218 CE2 TRP A 15 -1.294 -7.367 -3.428 1.00 0.00 C ATOM 219 CE3 TRP A 15 -0.007 -5.639 -4.582 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -2.212 -7.419 -4.468 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -0.940 -5.687 -5.651 1.00 0.00 C ATOM 222 CH2 TRP A 15 -2.042 -6.577 -5.593 1.00 0.00 C ATOM 0 HA TRP A 15 3.492 -6.210 -0.465 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.611 -4.886 -1.641 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.557 -5.945 -2.668 1.00 0.00 H new ATOM 0 HD1 TRP A 15 0.216 -8.008 -0.574 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.857 -8.768 -1.896 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.833 -4.961 -4.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.051 -8.098 -4.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.810 -5.045 -6.509 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.751 -6.613 -6.407 1.00 0.00 H new ATOM 233 N PHE A 16 1.571 -7.135 1.582 1.00 0.00 N ATOM 234 CA PHE A 16 0.882 -6.795 2.813 1.00 0.00 C ATOM 235 C PHE A 16 1.544 -7.465 4.010 1.00 0.00 C ATOM 236 O PHE A 16 1.157 -8.541 4.445 1.00 0.00 O ATOM 237 CB PHE A 16 -0.564 -7.220 2.731 1.00 0.00 C ATOM 238 CG PHE A 16 -1.349 -6.645 3.876 1.00 0.00 C ATOM 239 CD1 PHE A 16 -1.169 -5.294 4.270 1.00 0.00 C ATOM 240 CD2 PHE A 16 -2.244 -7.462 4.609 1.00 0.00 C ATOM 241 CE1 PHE A 16 -1.870 -4.772 5.381 1.00 0.00 C ATOM 242 CE2 PHE A 16 -2.945 -6.939 5.720 1.00 0.00 C ATOM 243 CZ PHE A 16 -2.759 -5.594 6.105 1.00 0.00 C ATOM 0 H PHE A 16 1.920 -8.090 1.506 1.00 0.00 H new ATOM 0 HA PHE A 16 0.937 -5.714 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.993 -6.888 1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.631 -8.308 2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.492 -4.660 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.392 -8.491 4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.725 -3.743 5.676 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.624 -7.570 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.296 -5.195 6.952 1.00 0.00 H new ATOM 253 N HIS A 17 2.555 -6.750 4.517 1.00 0.00 N ATOM 254 CA HIS A 17 3.243 -7.266 5.679 1.00 0.00 C ATOM 255 C HIS A 17 2.965 -6.347 6.861 1.00 0.00 C ATOM 256 O HIS A 17 3.350 -5.184 6.884 1.00 0.00 O ATOM 257 CB HIS A 17 4.737 -7.343 5.416 1.00 0.00 C ATOM 258 CG HIS A 17 5.064 -8.655 4.744 1.00 0.00 C ATOM 259 ND1 HIS A 17 6.284 -9.234 4.777 1.00 0.00 N ATOM 260 CD2 HIS A 17 4.205 -9.485 4.001 1.00 0.00 C ATOM 261 CE1 HIS A 17 6.180 -10.378 4.080 1.00 0.00 C ATOM 262 NE2 HIS A 17 4.935 -10.552 3.602 1.00 0.00 N ATOM 0 H HIS A 17 2.894 -5.858 4.155 1.00 0.00 H new ATOM 0 HA HIS A 17 2.884 -8.271 5.901 1.00 0.00 H new ATOM 0 HB2 HIS A 17 5.049 -6.511 4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.287 -7.255 6.353 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.161 -9.305 3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.994 -11.071 3.923 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.604 -11.339 3.044 1.00 0.00 H new ATOM 353 N GLU A 23 11.401 1.492 7.075 1.00 0.00 N ATOM 354 CA GLU A 23 12.675 1.406 6.424 1.00 0.00 C ATOM 355 C GLU A 23 12.812 0.016 5.834 1.00 0.00 C ATOM 356 O GLU A 23 13.235 -0.183 4.707 1.00 0.00 O ATOM 357 CB GLU A 23 13.738 1.653 7.487 1.00 0.00 C ATOM 358 CG GLU A 23 14.223 0.376 8.165 1.00 0.00 C ATOM 359 CD GLU A 23 15.415 0.692 9.072 1.00 0.00 C ATOM 360 OE1 GLU A 23 15.277 1.545 9.947 1.00 0.00 O ATOM 361 OE2 GLU A 23 16.467 0.080 8.893 1.00 0.00 O ATOM 0 HA GLU A 23 12.781 2.136 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.588 2.158 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.336 2.327 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.416 -0.065 8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.511 -0.359 7.413 1.00 0.00 H new ATOM 368 N GLU A 24 12.416 -0.920 6.701 1.00 0.00 N ATOM 369 CA GLU A 24 12.465 -2.313 6.307 1.00 0.00 C ATOM 370 C GLU A 24 11.774 -2.498 4.952 1.00 0.00 C ATOM 371 O GLU A 24 12.250 -3.209 4.077 1.00 0.00 O ATOM 372 CB GLU A 24 11.776 -3.149 7.377 1.00 0.00 C ATOM 373 CG GLU A 24 12.425 -2.945 8.747 1.00 0.00 C ATOM 374 CD GLU A 24 13.629 -3.878 8.895 1.00 0.00 C ATOM 375 OE1 GLU A 24 14.650 -3.623 8.260 1.00 0.00 O ATOM 376 OE2 GLU A 24 13.530 -4.848 9.645 1.00 0.00 O ATOM 0 H GLU A 24 12.071 -0.741 7.644 1.00 0.00 H new ATOM 0 HA GLU A 24 13.501 -2.636 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.721 -2.879 7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.823 -4.203 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.741 -1.908 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.700 -3.144 9.536 1.00 0.00 H new ATOM 383 N SER A 25 10.630 -1.797 4.843 1.00 0.00 N ATOM 384 CA SER A 25 9.855 -1.894 3.610 1.00 0.00 C ATOM 385 C SER A 25 10.438 -0.999 2.504 1.00 0.00 C ATOM 386 O SER A 25 10.223 -1.229 1.321 1.00 0.00 O ATOM 387 CB SER A 25 8.414 -1.490 3.907 1.00 0.00 C ATOM 388 OG SER A 25 8.357 -0.169 4.382 1.00 0.00 O ATOM 0 H SER A 25 10.242 -1.186 5.562 1.00 0.00 H new ATOM 0 HA SER A 25 9.894 -2.922 3.250 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.811 -1.583 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.986 -2.167 4.647 1.00 0.00 H new ATOM 0 HG SER A 25 7.423 0.127 4.414 1.00 0.00 H new ATOM 394 N GLU A 26 11.184 0.023 2.957 1.00 0.00 N ATOM 395 CA GLU A 26 11.762 0.942 2.010 1.00 0.00 C ATOM 396 C GLU A 26 13.097 0.406 1.466 1.00 0.00 C ATOM 397 O GLU A 26 13.569 0.813 0.411 1.00 0.00 O ATOM 398 CB GLU A 26 11.933 2.273 2.734 1.00 0.00 C ATOM 399 CG GLU A 26 13.263 2.934 2.414 1.00 0.00 C ATOM 400 CD GLU A 26 13.446 4.190 3.270 1.00 0.00 C ATOM 401 OE1 GLU A 26 12.519 4.544 3.997 1.00 0.00 O ATOM 402 OE2 GLU A 26 14.512 4.799 3.199 1.00 0.00 O ATOM 0 H GLU A 26 11.386 0.215 3.938 1.00 0.00 H new ATOM 0 HA GLU A 26 11.116 1.069 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.120 2.943 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.859 2.112 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.079 2.236 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.303 3.196 1.357 1.00 0.00 H new ATOM 409 N GLN A 27 13.661 -0.533 2.243 1.00 0.00 N ATOM 410 CA GLN A 27 14.911 -1.127 1.810 1.00 0.00 C ATOM 411 C GLN A 27 14.562 -2.228 0.815 1.00 0.00 C ATOM 412 O GLN A 27 15.304 -2.542 -0.104 1.00 0.00 O ATOM 413 CB GLN A 27 15.682 -1.689 3.003 1.00 0.00 C ATOM 414 CG GLN A 27 14.833 -2.663 3.816 1.00 0.00 C ATOM 415 CD GLN A 27 15.720 -3.425 4.803 1.00 0.00 C ATOM 416 OE1 GLN A 27 16.316 -2.856 5.709 1.00 0.00 O ATOM 417 NE2 GLN A 27 15.762 -4.747 4.560 1.00 0.00 N ATOM 0 H GLN A 27 13.286 -0.876 3.128 1.00 0.00 H new ATOM 0 HA GLN A 27 15.554 -0.381 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.580 -2.196 2.650 1.00 0.00 H new ATOM 0 HB3 GLN A 27 16.010 -0.870 3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.056 -2.120 4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.329 -3.364 3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.233 -5.139 3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.323 -5.357 5.155 1.00 0.00 H new ATOM 426 N ILE A 28 13.364 -2.781 1.072 1.00 0.00 N ATOM 427 CA ILE A 28 12.865 -3.800 0.211 1.00 0.00 C ATOM 428 C ILE A 28 12.597 -3.199 -1.155 1.00 0.00 C ATOM 429 O ILE A 28 12.845 -3.792 -2.197 1.00 0.00 O ATOM 430 CB ILE A 28 11.583 -4.307 0.851 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.871 -5.454 1.798 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.571 -4.734 -0.195 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.805 -5.542 2.888 1.00 0.00 C ATOM 0 H ILE A 28 12.758 -2.531 1.853 1.00 0.00 H new ATOM 0 HA ILE A 28 13.571 -4.620 0.080 1.00 0.00 H new ATOM 0 HB ILE A 28 11.154 -3.482 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.906 -6.390 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.852 -5.317 2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.667 -5.091 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.326 -3.884 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.992 -5.534 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.034 -6.373 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.790 -4.613 3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.829 -5.703 2.430 1.00 0.00 H new ATOM 445 N VAL A 29 12.047 -1.992 -1.069 1.00 0.00 N ATOM 446 CA VAL A 29 11.779 -1.286 -2.297 1.00 0.00 C ATOM 447 C VAL A 29 13.095 -0.964 -2.987 1.00 0.00 C ATOM 448 O VAL A 29 13.176 -0.826 -4.201 1.00 0.00 O ATOM 449 CB VAL A 29 11.027 -0.002 -1.956 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.372 1.108 -2.941 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.518 -0.235 -1.922 1.00 0.00 C ATOM 0 H VAL A 29 11.793 -1.510 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 29 11.175 -1.895 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 29 11.343 0.309 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.824 2.012 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.443 1.309 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.097 0.798 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.011 0.698 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.182 -0.585 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.283 -0.985 -1.167 1.00 0.00 H new ATOM 461 N LEU A 30 14.111 -0.844 -2.136 1.00 0.00 N ATOM 462 CA LEU A 30 15.401 -0.560 -2.653 1.00 0.00 C ATOM 463 C LEU A 30 15.795 -1.699 -3.590 1.00 0.00 C ATOM 464 O LEU A 30 16.441 -1.515 -4.614 1.00 0.00 O ATOM 465 CB LEU A 30 16.319 -0.471 -1.441 1.00 0.00 C ATOM 466 CG LEU A 30 17.294 -1.634 -1.346 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.485 -1.419 -2.267 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.758 -1.823 0.083 1.00 0.00 C ATOM 0 H LEU A 30 14.049 -0.939 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 30 15.452 0.367 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.879 0.463 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.713 -0.437 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 30 16.775 -2.538 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.168 -2.264 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.138 -1.336 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.003 -0.503 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.455 -2.660 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.255 -0.916 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.898 -2.030 0.720 1.00 0.00 H new ATOM 480 N ILE A 31 15.344 -2.891 -3.147 1.00 0.00 N ATOM 481 CA ILE A 31 15.633 -4.068 -3.906 1.00 0.00 C ATOM 482 C ILE A 31 14.980 -3.961 -5.254 1.00 0.00 C ATOM 483 O ILE A 31 15.612 -3.855 -6.298 1.00 0.00 O ATOM 484 CB ILE A 31 15.056 -5.308 -3.229 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.874 -5.161 -1.729 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.919 -6.488 -3.546 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.004 -5.824 -0.941 1.00 0.00 C ATOM 0 H ILE A 31 14.800 -3.036 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 31 16.716 -4.155 -3.988 1.00 0.00 H new ATOM 0 HB ILE A 31 14.052 -5.453 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.827 -4.103 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.922 -5.602 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.511 -7.377 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.946 -6.640 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.930 -6.308 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.829 -5.692 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.035 -6.888 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.955 -5.365 -1.212 1.00 0.00 H new ATOM 499 N GLY A 32 13.650 -4.005 -5.134 1.00 0.00 N ATOM 500 CA GLY A 32 12.860 -3.987 -6.335 1.00 0.00 C ATOM 501 C GLY A 32 12.086 -2.682 -6.519 1.00 0.00 C ATOM 502 O GLY A 32 11.746 -1.996 -5.565 1.00 0.00 O ATOM 0 H GLY A 32 13.132 -4.051 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.512 -4.141 -7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.158 -4.820 -6.314 1.00 0.00 H new ATOM 506 N SER A 33 11.835 -2.423 -7.825 1.00 0.00 N ATOM 507 CA SER A 33 11.091 -1.226 -8.227 1.00 0.00 C ATOM 508 C SER A 33 11.853 -0.554 -9.377 1.00 0.00 C ATOM 509 O SER A 33 12.174 -1.190 -10.373 1.00 0.00 O ATOM 510 CB SER A 33 10.887 -0.274 -7.046 1.00 0.00 C ATOM 511 OG SER A 33 10.310 0.932 -7.475 1.00 0.00 O ATOM 0 H SER A 33 12.134 -3.019 -8.597 1.00 0.00 H new ATOM 0 HA SER A 33 10.093 -1.505 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.247 -0.744 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.844 -0.074 -6.564 1.00 0.00 H new ATOM 0 HG SER A 33 9.441 0.750 -7.890 1.00 0.00 H new ATOM 517 N LYS A 34 12.116 0.759 -9.184 1.00 0.00 N ATOM 518 CA LYS A 34 12.855 1.477 -10.215 1.00 0.00 C ATOM 519 C LYS A 34 11.927 1.917 -11.331 1.00 0.00 C ATOM 520 O LYS A 34 11.818 3.084 -11.687 1.00 0.00 O ATOM 521 CB LYS A 34 13.893 0.540 -10.811 1.00 0.00 C ATOM 522 CG LYS A 34 15.107 1.299 -11.320 1.00 0.00 C ATOM 523 CD LYS A 34 16.072 1.653 -10.187 1.00 0.00 C ATOM 524 CE LYS A 34 17.298 2.404 -10.707 1.00 0.00 C ATOM 525 NZ LYS A 34 18.074 1.611 -11.653 1.00 0.00 N ATOM 0 H LYS A 34 11.841 1.307 -8.369 1.00 0.00 H new ATOM 0 HA LYS A 34 13.322 2.353 -9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.205 -0.184 -10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.447 -0.024 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.627 0.696 -12.065 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.782 2.212 -11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.556 2.265 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.390 0.742 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.978 3.328 -11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.932 2.685 -9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.991 2.071 -11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.230 0.660 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.555 1.536 -12.551 1.00 0.00 H new ATOM 539 N THR A 35 11.278 0.872 -11.847 1.00 0.00 N ATOM 540 CA THR A 35 10.373 1.044 -12.967 1.00 0.00 C ATOM 541 C THR A 35 9.218 2.007 -12.676 1.00 0.00 C ATOM 542 O THR A 35 8.321 2.198 -13.487 1.00 0.00 O ATOM 543 CB THR A 35 9.825 -0.327 -13.319 1.00 0.00 C ATOM 544 OG1 THR A 35 10.569 -1.328 -12.663 1.00 0.00 O ATOM 545 CG2 THR A 35 9.864 -0.572 -14.815 1.00 0.00 C ATOM 0 H THR A 35 11.365 -0.086 -11.508 1.00 0.00 H new ATOM 0 HA THR A 35 10.928 1.489 -13.793 1.00 0.00 H new ATOM 0 HB THR A 35 8.786 -0.363 -12.991 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.500 -1.297 -12.968 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.464 -1.563 -15.032 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.262 0.181 -15.323 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.894 -0.511 -15.167 1.00 0.00 H new ATOM 553 N ASN A 36 9.300 2.586 -11.487 1.00 0.00 N ATOM 554 CA ASN A 36 8.268 3.522 -11.094 1.00 0.00 C ATOM 555 C ASN A 36 6.912 2.856 -11.254 1.00 0.00 C ATOM 556 O ASN A 36 6.350 2.764 -12.338 1.00 0.00 O ATOM 557 CB ASN A 36 8.361 4.780 -11.954 1.00 0.00 C ATOM 558 CG ASN A 36 7.233 5.746 -11.587 1.00 0.00 C ATOM 559 OD1 ASN A 36 6.502 5.551 -10.623 1.00 0.00 O ATOM 560 ND2 ASN A 36 7.146 6.795 -12.424 1.00 0.00 N ATOM 0 H ASN A 36 10.041 2.431 -10.804 1.00 0.00 H new ATOM 0 HA ASN A 36 8.400 3.811 -10.051 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.327 5.262 -11.805 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.296 4.515 -13.009 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.429 7.505 -12.278 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.797 6.880 -13.204 1.00 0.00 H new ATOM 567 N GLY A 37 6.435 2.403 -10.090 1.00 0.00 N ATOM 568 CA GLY A 37 5.152 1.733 -10.074 1.00 0.00 C ATOM 569 C GLY A 37 5.111 0.606 -9.037 1.00 0.00 C ATOM 570 O GLY A 37 4.072 -0.001 -8.808 1.00 0.00 O ATOM 0 H GLY A 37 6.902 2.487 -9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.367 2.457 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.943 1.325 -11.063 1.00 0.00 H new ATOM 574 N LYS A 38 6.291 0.353 -8.422 1.00 0.00 N ATOM 575 CA LYS A 38 6.295 -0.694 -7.434 1.00 0.00 C ATOM 576 C LYS A 38 5.749 -0.114 -6.154 1.00 0.00 C ATOM 577 O LYS A 38 5.882 1.070 -5.877 1.00 0.00 O ATOM 578 CB LYS A 38 7.693 -1.238 -7.213 1.00 0.00 C ATOM 579 CG LYS A 38 7.645 -2.600 -6.520 1.00 0.00 C ATOM 580 CD LYS A 38 8.992 -3.303 -6.600 1.00 0.00 C ATOM 581 CE LYS A 38 8.997 -4.398 -7.666 1.00 0.00 C ATOM 582 NZ LYS A 38 8.810 -3.867 -9.011 1.00 0.00 N ATOM 0 H LYS A 38 7.177 0.830 -8.589 1.00 0.00 H new ATOM 0 HA LYS A 38 5.679 -1.526 -7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.207 -1.330 -8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.269 -0.538 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.360 -2.470 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.879 -3.221 -6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.770 -2.573 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.233 -3.738 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.941 -4.941 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.206 -5.116 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.635 -4.650 -9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.997 -3.219 -9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.665 -3.352 -9.303 1.00 0.00 H new ATOM 596 N PHE A 39 5.137 -1.016 -5.396 1.00 0.00 N ATOM 597 CA PHE A 39 4.551 -0.541 -4.153 1.00 0.00 C ATOM 598 C PHE A 39 4.295 -1.680 -3.176 1.00 0.00 C ATOM 599 O PHE A 39 4.122 -2.832 -3.543 1.00 0.00 O ATOM 600 CB PHE A 39 3.248 0.195 -4.468 1.00 0.00 C ATOM 601 CG PHE A 39 2.148 -0.761 -4.833 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.104 -1.351 -6.120 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.137 -1.074 -3.892 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.062 -2.241 -6.461 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.096 -1.964 -4.233 1.00 0.00 C ATOM 606 CZ PHE A 39 0.058 -2.546 -5.517 1.00 0.00 C ATOM 0 H PHE A 39 5.037 -2.011 -5.599 1.00 0.00 H new ATOM 0 HA PHE A 39 5.257 0.138 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.945 0.786 -3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.413 0.892 -5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.871 -1.119 -6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.163 -0.629 -2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.033 -2.688 -7.444 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.672 -2.199 -3.511 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.740 -3.225 -5.778 1.00 0.00 H new ATOM 616 N LEU A 40 4.253 -1.249 -1.907 1.00 0.00 N ATOM 617 CA LEU A 40 3.995 -2.208 -0.848 1.00 0.00 C ATOM 618 C LEU A 40 3.271 -1.510 0.302 1.00 0.00 C ATOM 619 O LEU A 40 3.715 -0.495 0.825 1.00 0.00 O ATOM 620 CB LEU A 40 5.313 -2.803 -0.361 1.00 0.00 C ATOM 621 CG LEU A 40 6.041 -1.848 0.584 1.00 0.00 C ATOM 622 CD1 LEU A 40 5.548 -2.026 2.019 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.549 -2.079 0.516 1.00 0.00 C ATOM 0 H LEU A 40 4.389 -0.284 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 40 3.366 -3.014 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.121 -3.747 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.951 -3.027 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 40 5.826 -0.827 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.080 -1.336 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.479 -1.819 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.733 -3.050 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.053 -1.391 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.773 -3.105 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.898 -1.906 -0.502 1.00 0.00 H new ATOM 635 N ILE A 41 2.129 -2.124 0.657 1.00 0.00 N ATOM 636 CA ILE A 41 1.353 -1.568 1.752 1.00 0.00 C ATOM 637 C ILE A 41 1.718 -2.313 3.036 1.00 0.00 C ATOM 638 O ILE A 41 2.016 -3.501 3.027 1.00 0.00 O ATOM 639 CB ILE A 41 -0.135 -1.714 1.449 1.00 0.00 C ATOM 640 CG1 ILE A 41 -0.975 -1.093 2.565 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.497 -3.184 1.279 1.00 0.00 C ATOM 642 CD1 ILE A 41 -0.544 0.342 2.862 1.00 0.00 C ATOM 0 H ILE A 41 1.746 -2.963 0.221 1.00 0.00 H new ATOM 0 HA ILE A 41 1.575 -0.508 1.875 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.349 -1.187 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.027 -1.106 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.883 -1.695 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.562 -3.274 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.077 -3.607 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.266 -3.724 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.164 0.750 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.501 0.351 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.661 0.950 1.965 1.00 0.00 H new ATOM 654 N ARG A 42 1.678 -1.539 4.133 1.00 0.00 N ATOM 655 CA ARG A 42 2.019 -2.142 5.413 1.00 0.00 C ATOM 656 C ARG A 42 1.001 -1.732 6.474 1.00 0.00 C ATOM 657 O ARG A 42 0.319 -0.720 6.366 1.00 0.00 O ATOM 658 CB ARG A 42 3.424 -1.707 5.825 1.00 0.00 C ATOM 659 CG ARG A 42 3.566 -0.184 5.837 1.00 0.00 C ATOM 660 CD ARG A 42 4.955 0.243 6.314 1.00 0.00 C ATOM 661 NE ARG A 42 5.121 1.678 6.174 1.00 0.00 N ATOM 662 CZ ARG A 42 4.452 2.491 7.013 1.00 0.00 C ATOM 663 NH1 ARG A 42 3.644 1.977 7.937 1.00 0.00 N ATOM 664 NH2 ARG A 42 4.599 3.809 6.918 1.00 0.00 N ATOM 0 H ARG A 42 1.427 -0.551 4.156 1.00 0.00 H new ATOM 0 HA ARG A 42 1.998 -3.228 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.651 -2.101 6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.153 -2.135 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.387 0.208 4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.807 0.249 6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.093 -0.045 7.356 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.720 -0.276 5.736 1.00 0.00 H new ATOM 0 HE ARG A 42 5.733 2.063 5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.531 0.966 8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.138 2.594 8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.218 4.203 6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.093 4.426 7.553 1.00 0.00 H new ATOM 678 N ALA A 43 0.951 -2.597 7.505 1.00 0.00 N ATOM 679 CA ALA A 43 0.028 -2.334 8.596 1.00 0.00 C ATOM 680 C ALA A 43 0.664 -2.772 9.917 1.00 0.00 C ATOM 681 O ALA A 43 0.434 -3.869 10.411 1.00 0.00 O ATOM 682 CB ALA A 43 -1.275 -3.092 8.351 1.00 0.00 C ATOM 0 H ALA A 43 1.515 -3.442 7.595 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.191 -1.268 8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.969 -2.896 9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.718 -2.760 7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.070 -4.161 8.298 1.00 0.00 H new ATOM 770 N TYR A 50 -2.466 2.484 8.677 1.00 0.00 N ATOM 771 CA TYR A 50 -1.659 1.849 7.645 1.00 0.00 C ATOM 772 C TYR A 50 -1.121 2.933 6.716 1.00 0.00 C ATOM 773 O TYR A 50 -1.646 4.038 6.652 1.00 0.00 O ATOM 774 CB TYR A 50 -2.505 0.845 6.853 1.00 0.00 C ATOM 775 CG TYR A 50 -3.279 -0.079 7.754 1.00 0.00 C ATOM 776 CD1 TYR A 50 -2.812 -0.369 9.060 1.00 0.00 C ATOM 777 CD2 TYR A 50 -4.493 -0.658 7.308 1.00 0.00 C ATOM 778 CE1 TYR A 50 -3.550 -1.226 9.908 1.00 0.00 C ATOM 779 CE2 TYR A 50 -5.230 -1.514 8.157 1.00 0.00 C ATOM 780 CZ TYR A 50 -4.759 -1.798 9.457 1.00 0.00 C ATOM 781 OH TYR A 50 -5.479 -2.633 10.286 1.00 0.00 O ATOM 0 HA TYR A 50 -0.831 1.308 8.103 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.198 1.385 6.207 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.856 0.258 6.204 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.888 0.067 9.409 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.857 -0.444 6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.188 -1.443 10.902 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.155 -1.951 7.811 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.286 -2.939 9.821 1.00 0.00 H new ATOM 791 N ALA A 51 -0.044 2.553 6.005 1.00 0.00 N ATOM 792 CA ALA A 51 0.533 3.521 5.089 1.00 0.00 C ATOM 793 C ALA A 51 1.109 2.813 3.863 1.00 0.00 C ATOM 794 O ALA A 51 1.833 1.828 3.956 1.00 0.00 O ATOM 795 CB ALA A 51 1.612 4.332 5.805 1.00 0.00 C ATOM 0 H ALA A 51 0.412 1.642 6.047 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.247 4.203 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.042 5.057 5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.171 4.857 6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.395 3.662 6.161 1.00 0.00 H new ATOM 801 N LEU A 52 0.732 3.405 2.714 1.00 0.00 N ATOM 802 CA LEU A 52 1.186 2.864 1.444 1.00 0.00 C ATOM 803 C LEU A 52 2.599 3.363 1.147 1.00 0.00 C ATOM 804 O LEU A 52 2.863 4.553 1.084 1.00 0.00 O ATOM 805 CB LEU A 52 0.218 3.318 0.353 1.00 0.00 C ATOM 806 CG LEU A 52 0.890 3.433 -1.015 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.399 2.068 -1.481 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.103 3.992 -2.031 1.00 0.00 C ATOM 0 H LEU A 52 0.135 4.229 2.649 1.00 0.00 H new ATOM 0 HA LEU A 52 1.209 1.775 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.610 2.612 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.207 4.283 0.628 1.00 0.00 H new ATOM 0 HG LEU A 52 1.741 4.109 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.874 2.171 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.124 1.685 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.562 1.374 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.380 4.073 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.962 3.325 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.437 4.978 -1.709 1.00 0.00 H new ATOM 820 N CYS A 53 3.478 2.370 0.948 1.00 0.00 N ATOM 821 CA CYS A 53 4.858 2.720 0.659 1.00 0.00 C ATOM 822 C CYS A 53 5.257 2.126 -0.669 1.00 0.00 C ATOM 823 O CYS A 53 5.278 0.921 -0.872 1.00 0.00 O ATOM 824 CB CYS A 53 5.775 2.223 1.773 1.00 0.00 C ATOM 825 SG CYS A 53 5.240 2.760 3.416 1.00 0.00 S ATOM 0 H CYS A 53 3.267 1.373 0.981 1.00 0.00 H new ATOM 0 HA CYS A 53 4.953 3.804 0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.813 1.134 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.788 2.582 1.591 1.00 0.00 H new ATOM 0 HG CYS A 53 6.102 3.605 3.898 1.00 0.00 H new ATOM 831 N LEU A 54 5.586 3.072 -1.550 1.00 0.00 N ATOM 832 CA LEU A 54 5.951 2.682 -2.869 1.00 0.00 C ATOM 833 C LEU A 54 7.158 3.500 -3.342 1.00 0.00 C ATOM 834 O LEU A 54 7.671 4.327 -2.606 1.00 0.00 O ATOM 835 CB LEU A 54 4.685 2.854 -3.698 1.00 0.00 C ATOM 836 CG LEU A 54 4.391 4.278 -4.235 1.00 0.00 C ATOM 837 CD1 LEU A 54 2.950 4.659 -3.896 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.325 5.354 -3.673 1.00 0.00 C ATOM 0 H LEU A 54 5.601 4.075 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 54 6.288 1.649 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.741 2.175 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.836 2.537 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 54 4.556 4.240 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.740 5.660 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.267 3.947 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.814 4.642 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.058 6.323 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.227 5.390 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.355 5.115 -3.936 1.00 0.00 H new ATOM 850 N LEU A 55 7.592 3.244 -4.596 1.00 0.00 N ATOM 851 CA LEU A 55 8.750 4.003 -5.046 1.00 0.00 C ATOM 852 C LEU A 55 8.466 4.707 -6.368 1.00 0.00 C ATOM 853 O LEU A 55 7.825 4.172 -7.264 1.00 0.00 O ATOM 854 CB LEU A 55 9.926 3.055 -5.196 1.00 0.00 C ATOM 855 CG LEU A 55 11.237 3.814 -5.411 1.00 0.00 C ATOM 856 CD1 LEU A 55 11.977 4.050 -4.103 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.142 3.041 -6.353 1.00 0.00 C ATOM 0 H LEU A 55 7.192 2.576 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 55 8.982 4.771 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.008 2.432 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.750 2.386 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 55 10.980 4.781 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.902 4.592 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.350 4.636 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.210 3.092 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.072 3.591 -6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.362 2.063 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.643 2.913 -7.313 1.00 0.00 H new ATOM 869 N HIS A 56 8.992 5.950 -6.422 1.00 0.00 N ATOM 870 CA HIS A 56 8.807 6.721 -7.638 1.00 0.00 C ATOM 871 C HIS A 56 9.835 6.273 -8.688 1.00 0.00 C ATOM 872 O HIS A 56 9.589 5.395 -9.499 1.00 0.00 O ATOM 873 CB HIS A 56 8.964 8.207 -7.330 1.00 0.00 C ATOM 874 CG HIS A 56 8.710 9.003 -8.587 1.00 0.00 C ATOM 875 ND1 HIS A 56 9.164 10.259 -8.788 1.00 0.00 N ATOM 876 CD2 HIS A 56 7.991 8.608 -9.730 1.00 0.00 C ATOM 877 CE1 HIS A 56 8.740 10.624 -10.010 1.00 0.00 C ATOM 878 NE2 HIS A 56 8.029 9.645 -10.598 1.00 0.00 N ATOM 0 H HIS A 56 9.517 6.408 -5.677 1.00 0.00 H new ATOM 0 HA HIS A 56 7.806 6.553 -8.034 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.264 8.505 -6.549 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.967 8.409 -6.954 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.502 7.658 -9.885 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.944 11.583 -10.463 1.00 0.00 H new ATOM 0 HE2 HIS A 56 7.600 9.678 -11.523 1.00 0.00 H new ATOM 886 N GLU A 57 10.998 6.945 -8.615 1.00 0.00 N ATOM 887 CA GLU A 57 12.072 6.615 -9.558 1.00 0.00 C ATOM 888 C GLU A 57 13.397 6.363 -8.813 1.00 0.00 C ATOM 889 O GLU A 57 14.463 6.256 -9.406 1.00 0.00 O ATOM 890 CB GLU A 57 12.246 7.783 -10.510 1.00 0.00 C ATOM 891 CG GLU A 57 10.918 8.189 -11.145 1.00 0.00 C ATOM 892 CD GLU A 57 10.947 7.899 -12.647 1.00 0.00 C ATOM 893 OE1 GLU A 57 11.797 8.460 -13.337 1.00 0.00 O ATOM 894 OE2 GLU A 57 10.119 7.115 -13.109 1.00 0.00 O ATOM 0 H GLU A 57 11.210 7.685 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 57 11.808 5.708 -10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.668 8.632 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.957 7.514 -11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.099 7.643 -10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.733 9.250 -10.974 1.00 0.00 H new ATOM 901 N GLY A 58 13.241 6.283 -7.487 1.00 0.00 N ATOM 902 CA GLY A 58 14.394 6.074 -6.627 1.00 0.00 C ATOM 903 C GLY A 58 14.279 6.950 -5.371 1.00 0.00 C ATOM 904 O GLY A 58 15.256 7.442 -4.819 1.00 0.00 O ATOM 0 H GLY A 58 12.347 6.359 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.460 5.024 -6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.309 6.317 -7.167 1.00 0.00 H new ATOM 908 N LYS A 59 13.002 7.095 -4.981 1.00 0.00 N ATOM 909 CA LYS A 59 12.667 7.880 -3.825 1.00 0.00 C ATOM 910 C LYS A 59 11.474 7.186 -3.208 1.00 0.00 C ATOM 911 O LYS A 59 10.335 7.363 -3.627 1.00 0.00 O ATOM 912 CB LYS A 59 12.292 9.312 -4.211 1.00 0.00 C ATOM 913 CG LYS A 59 12.650 9.658 -5.662 1.00 0.00 C ATOM 914 CD LYS A 59 14.158 9.815 -5.856 1.00 0.00 C ATOM 915 CE LYS A 59 14.505 11.176 -6.460 1.00 0.00 C ATOM 916 NZ LYS A 59 15.929 11.311 -6.743 1.00 0.00 N ATOM 0 H LYS A 59 12.204 6.675 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 59 13.512 7.953 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.221 9.453 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.800 10.007 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.279 8.876 -6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.149 10.583 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.663 9.702 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.527 9.022 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.939 11.317 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.197 11.965 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.114 12.250 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.470 11.204 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.220 10.576 -7.419 1.00 0.00 H new ATOM 930 N VAL A 60 11.801 6.386 -2.201 1.00 0.00 N ATOM 931 CA VAL A 60 10.737 5.638 -1.583 1.00 0.00 C ATOM 932 C VAL A 60 9.794 6.592 -0.881 1.00 0.00 C ATOM 933 O VAL A 60 10.189 7.575 -0.264 1.00 0.00 O ATOM 934 CB VAL A 60 11.296 4.640 -0.583 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.509 5.317 0.764 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.336 3.466 -0.420 1.00 0.00 C ATOM 0 H VAL A 60 12.737 6.248 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 60 10.198 5.089 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 60 12.252 4.270 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.910 4.595 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.212 6.142 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.558 5.700 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.747 2.757 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.373 3.830 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.201 2.970 -1.381 1.00 0.00 H new ATOM 946 N LEU A 61 8.529 6.208 -1.005 1.00 0.00 N ATOM 947 CA LEU A 61 7.499 7.014 -0.399 1.00 0.00 C ATOM 948 C LEU A 61 6.651 6.204 0.544 1.00 0.00 C ATOM 949 O LEU A 61 6.699 4.982 0.613 1.00 0.00 O ATOM 950 CB LEU A 61 6.614 7.623 -1.477 1.00 0.00 C ATOM 951 CG LEU A 61 7.469 8.259 -2.554 1.00 0.00 C ATOM 952 CD1 LEU A 61 6.608 9.001 -3.571 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.459 9.200 -1.888 1.00 0.00 C ATOM 0 H LEU A 61 8.208 5.376 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 61 7.987 7.805 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.978 6.853 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.954 8.370 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 61 8.008 7.484 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.248 9.448 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.917 8.302 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.043 9.785 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.084 9.668 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.917 9.970 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.087 8.638 -1.197 1.00 0.00 H new ATOM 965 N HIS A 62 5.869 7.009 1.257 1.00 0.00 N ATOM 966 CA HIS A 62 4.954 6.436 2.228 1.00 0.00 C ATOM 967 C HIS A 62 3.733 7.351 2.302 1.00 0.00 C ATOM 968 O HIS A 62 3.850 8.561 2.301 1.00 0.00 O ATOM 969 CB HIS A 62 5.627 6.327 3.609 1.00 0.00 C ATOM 970 CG HIS A 62 7.031 5.758 3.487 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.375 4.497 3.835 1.00 0.00 N ATOM 972 CD2 HIS A 62 8.188 6.413 3.024 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.695 4.383 3.596 1.00 0.00 C ATOM 974 NE2 HIS A 62 9.206 5.526 3.106 1.00 0.00 N ATOM 0 H HIS A 62 5.851 8.026 1.183 1.00 0.00 H new ATOM 0 HA HIS A 62 4.662 5.430 1.927 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.669 7.311 4.076 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.028 5.690 4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.251 7.431 2.670 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.271 3.487 3.775 1.00 0.00 H new ATOM 0 HE2 HIS A 62 10.178 5.693 2.845 1.00 0.00 H new ATOM 982 N TYR A 63 2.559 6.709 2.338 1.00 0.00 N ATOM 983 CA TYR A 63 1.355 7.502 2.409 1.00 0.00 C ATOM 984 C TYR A 63 0.539 7.061 3.615 1.00 0.00 C ATOM 985 O TYR A 63 0.582 5.915 4.028 1.00 0.00 O ATOM 986 CB TYR A 63 0.547 7.295 1.134 1.00 0.00 C ATOM 987 CG TYR A 63 1.171 7.992 -0.035 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.082 9.400 -0.176 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.872 7.246 -1.013 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.688 10.037 -1.272 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.476 7.890 -2.108 1.00 0.00 C ATOM 992 CZ TYR A 63 2.384 9.287 -2.240 1.00 0.00 C ATOM 993 OH TYR A 63 2.975 9.921 -3.313 1.00 0.00 O ATOM 0 H TYR A 63 2.431 5.697 2.320 1.00 0.00 H new ATOM 0 HA TYR A 63 1.607 8.558 2.510 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.468 6.229 0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.467 7.667 1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.548 9.983 0.560 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.944 6.173 -0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.620 11.110 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.010 7.312 -2.847 1.00 0.00 H new ATOM 0 HH TYR A 63 3.913 10.113 -3.103 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.197 8.045 4.156 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.027 7.720 5.303 1.00 0.00 C ATOM 1005 C ARG A 64 -2.350 7.156 4.787 1.00 0.00 C ATOM 1006 O ARG A 64 -2.974 7.709 3.890 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.277 8.957 6.172 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.647 10.226 5.588 1.00 0.00 C ATOM 1009 CD ARG A 64 -1.032 11.466 6.394 1.00 0.00 C ATOM 1010 NE ARG A 64 -0.550 11.352 7.758 1.00 0.00 N ATOM 1011 CZ ARG A 64 -0.829 12.344 8.625 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -1.533 13.400 8.227 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -0.400 12.267 9.882 1.00 0.00 N ATOM 0 H ARG A 64 -0.230 9.013 3.835 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.518 6.984 5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.351 9.107 6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.875 8.782 7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.438 10.122 5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.968 10.349 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.612 12.356 5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.115 11.586 6.393 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.011 10.538 8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.863 13.459 7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.743 14.150 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.140 11.457 10.188 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.611 13.018 10.540 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.738 6.028 5.410 1.00 0.00 N ATOM 1028 CA ILE A 65 -3.979 5.402 4.976 1.00 0.00 C ATOM 1029 C ILE A 65 -4.726 4.785 6.157 1.00 0.00 C ATOM 1030 O ILE A 65 -4.262 3.855 6.806 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.661 4.325 3.939 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.454 4.957 2.565 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -4.785 3.289 3.875 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.116 4.554 1.953 1.00 0.00 C ATOM 0 H ILE A 65 -2.240 5.562 6.168 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.621 6.164 4.535 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.742 3.822 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.264 4.655 1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.501 6.042 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.539 2.531 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.900 2.816 4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.718 3.781 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.007 5.024 0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.305 4.879 2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.079 3.470 1.840 1.00 0.00 H new ATOM 1046 N ASP A 66 -5.917 5.370 6.382 1.00 0.00 N ATOM 1047 CA ASP A 66 -6.758 4.858 7.444 1.00 0.00 C ATOM 1048 C ASP A 66 -8.212 5.100 7.081 1.00 0.00 C ATOM 1049 O ASP A 66 -8.538 5.696 6.065 1.00 0.00 O ATOM 1050 CB ASP A 66 -6.433 5.546 8.756 1.00 0.00 C ATOM 1051 CG ASP A 66 -7.060 4.774 9.919 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -6.786 3.582 10.048 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -7.814 5.374 10.683 1.00 0.00 O ATOM 0 H ASP A 66 -6.294 6.162 5.861 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.578 3.790 7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.353 5.605 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.809 6.569 8.743 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.054 4.625 8.002 1.00 0.00 N ATOM 1059 CA LYS A 67 -10.476 4.773 7.786 1.00 0.00 C ATOM 1060 C LYS A 67 -10.979 6.010 8.521 1.00 0.00 C ATOM 1061 O LYS A 67 -10.244 6.952 8.790 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.185 3.524 8.302 1.00 0.00 C ATOM 1063 CG LYS A 67 -10.971 3.349 9.801 1.00 0.00 C ATOM 1064 CD LYS A 67 -9.739 2.498 10.111 1.00 0.00 C ATOM 1065 CE LYS A 67 -10.057 1.004 10.034 1.00 0.00 C ATOM 1066 NZ LYS A 67 -8.920 0.175 10.415 1.00 0.00 N ATOM 0 H LYS A 67 -8.783 4.155 8.866 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.683 4.893 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.252 3.594 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.812 2.646 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.862 4.328 10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.853 2.883 10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.943 2.738 9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.368 2.741 11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.901 0.781 10.686 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.363 0.752 9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.184 -0.829 10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.121 0.367 9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.643 0.395 11.393 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.285 5.935 8.827 1.00 0.00 N ATOM 1081 CA ASP A 68 -12.902 7.037 9.538 1.00 0.00 C ATOM 1082 C ASP A 68 -13.741 6.463 10.674 1.00 0.00 C ATOM 1083 O ASP A 68 -14.906 6.797 10.856 1.00 0.00 O ATOM 1084 CB ASP A 68 -13.775 7.835 8.575 1.00 0.00 C ATOM 1085 CG ASP A 68 -13.041 9.104 8.136 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -12.600 9.856 9.004 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -12.919 9.325 6.933 1.00 0.00 O ATOM 0 H ASP A 68 -12.901 5.154 8.600 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.144 7.704 9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.021 7.227 7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.717 8.097 9.057 1.00 0.00 H new ATOM 1092 N LYS A 69 -13.062 5.573 11.421 1.00 0.00 N ATOM 1093 CA LYS A 69 -13.751 4.914 12.521 1.00 0.00 C ATOM 1094 C LYS A 69 -15.084 4.340 12.026 1.00 0.00 C ATOM 1095 O LYS A 69 -16.042 4.180 12.772 1.00 0.00 O ATOM 1096 CB LYS A 69 -13.970 5.905 13.661 1.00 0.00 C ATOM 1097 CG LYS A 69 -12.676 6.170 14.432 1.00 0.00 C ATOM 1098 CD LYS A 69 -11.496 6.405 13.489 1.00 0.00 C ATOM 1099 CE LYS A 69 -10.259 6.887 14.248 1.00 0.00 C ATOM 1100 NZ LYS A 69 -10.429 8.229 14.792 1.00 0.00 N ATOM 0 H LYS A 69 -12.086 5.309 11.286 1.00 0.00 H new ATOM 0 HA LYS A 69 -13.141 4.092 12.896 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.354 6.843 13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.727 5.516 14.342 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.807 7.040 15.075 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.459 5.322 15.082 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.262 5.481 12.960 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.772 7.143 12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.041 6.193 15.060 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.398 6.875 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.502 8.611 15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.855 8.845 14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.051 8.190 15.625 1.00 0.00 H new ATOM 1114 N THR A 70 -15.060 4.047 10.716 1.00 0.00 N ATOM 1115 CA THR A 70 -16.214 3.479 10.079 1.00 0.00 C ATOM 1116 C THR A 70 -15.894 2.036 9.680 1.00 0.00 C ATOM 1117 O THR A 70 -16.760 1.173 9.611 1.00 0.00 O ATOM 1118 CB THR A 70 -16.492 4.309 8.836 1.00 0.00 C ATOM 1119 OG1 THR A 70 -17.393 5.342 9.146 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.042 3.462 7.701 1.00 0.00 C ATOM 0 H THR A 70 -14.259 4.198 10.103 1.00 0.00 H new ATOM 0 HA THR A 70 -17.080 3.480 10.741 1.00 0.00 H new ATOM 0 HB THR A 70 -15.546 4.734 8.500 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.568 5.875 8.343 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.227 4.094 6.832 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.319 2.689 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.975 2.995 8.015 1.00 0.00 H new ATOM 1128 N GLY A 71 -14.583 1.849 9.424 1.00 0.00 N ATOM 1129 CA GLY A 71 -14.140 0.541 9.011 1.00 0.00 C ATOM 1130 C GLY A 71 -13.577 0.543 7.581 1.00 0.00 C ATOM 1131 O GLY A 71 -12.818 -0.334 7.188 1.00 0.00 O ATOM 0 H GLY A 71 -13.857 2.562 9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.375 0.184 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.974 -0.159 9.070 1.00 0.00 H new ATOM 1135 N LYS A 72 -13.999 1.583 6.840 1.00 0.00 N ATOM 1136 CA LYS A 72 -13.540 1.687 5.464 1.00 0.00 C ATOM 1137 C LYS A 72 -12.225 2.456 5.435 1.00 0.00 C ATOM 1138 O LYS A 72 -12.103 3.537 5.989 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.594 2.390 4.613 1.00 0.00 C ATOM 1140 CG LYS A 72 -15.934 1.656 4.661 1.00 0.00 C ATOM 1141 CD LYS A 72 -16.901 2.172 3.594 1.00 0.00 C ATOM 1142 CE LYS A 72 -18.244 1.444 3.652 1.00 0.00 C ATOM 1143 NZ LYS A 72 -19.119 1.800 2.542 1.00 0.00 N ATOM 0 H LYS A 72 -14.625 2.323 7.158 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.380 0.691 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.725 3.413 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.248 2.451 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.769 0.588 4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.381 1.779 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.060 3.241 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.458 2.041 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.071 0.368 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.741 1.680 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.016 1.281 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.308 2.823 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.658 1.551 1.643 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.266 1.846 4.721 1.00 0.00 N ATOM 1158 CA LEU A 73 -9.966 2.475 4.644 1.00 0.00 C ATOM 1159 C LEU A 73 -10.040 3.603 3.627 1.00 0.00 C ATOM 1160 O LEU A 73 -10.815 3.565 2.684 1.00 0.00 O ATOM 1161 CB LEU A 73 -8.928 1.438 4.229 1.00 0.00 C ATOM 1162 CG LEU A 73 -8.779 0.332 5.276 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -7.856 -0.771 4.761 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -8.234 0.905 6.587 1.00 0.00 C ATOM 0 H LEU A 73 -11.368 0.965 4.218 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.675 2.882 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.215 0.998 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.966 1.927 4.078 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.764 -0.096 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.761 -1.549 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.274 -1.200 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.873 -0.352 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.134 0.105 7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.258 1.357 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.921 1.662 6.967 1.00 0.00 H new ATOM 1176 N SER A 74 -9.193 4.609 3.883 1.00 0.00 N ATOM 1177 CA SER A 74 -9.201 5.745 2.983 1.00 0.00 C ATOM 1178 C SER A 74 -7.876 6.497 3.073 1.00 0.00 C ATOM 1179 O SER A 74 -6.905 6.040 3.663 1.00 0.00 O ATOM 1180 CB SER A 74 -10.365 6.661 3.352 1.00 0.00 C ATOM 1181 OG SER A 74 -10.449 7.745 2.463 1.00 0.00 O ATOM 0 H SER A 74 -8.534 4.654 4.660 1.00 0.00 H new ATOM 0 HA SER A 74 -9.325 5.401 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.297 6.097 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.235 7.029 4.370 1.00 0.00 H new ATOM 0 HG SER A 74 -10.045 7.497 1.605 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.921 7.686 2.448 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.735 8.520 2.428 1.00 0.00 C ATOM 1189 C ILE A 75 -7.161 9.983 2.296 1.00 0.00 C ATOM 1190 O ILE A 75 -8.099 10.314 1.581 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.885 8.120 1.225 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.700 6.607 1.171 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.522 8.816 1.243 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.651 6.221 0.128 1.00 0.00 C ATOM 0 H ILE A 75 -8.737 8.069 1.971 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.160 8.393 3.345 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.418 8.442 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.396 6.239 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.650 6.129 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.944 8.507 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.665 9.896 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.985 8.541 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.538 5.137 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.969 6.570 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.697 6.681 0.384 1.00 0.00 H new ATOM 1206 N PRO A 76 -6.423 10.850 3.027 1.00 0.00 N ATOM 1207 CA PRO A 76 -6.676 12.277 3.005 1.00 0.00 C ATOM 1208 C PRO A 76 -6.642 12.818 1.575 1.00 0.00 C ATOM 1209 O PRO A 76 -7.653 13.205 1.004 1.00 0.00 O ATOM 1210 CB PRO A 76 -5.565 12.907 3.850 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.726 11.753 4.426 1.00 0.00 C ATOM 1212 CD PRO A 76 -5.318 10.452 3.878 1.00 0.00 C ATOM 0 HA PRO A 76 -7.664 12.512 3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.946 13.567 3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.987 13.514 4.651 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.680 11.854 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.756 11.761 5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.573 9.890 3.315 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.660 9.806 4.687 1.00 0.00 H new ATOM 1220 N GLU A 77 -5.408 12.811 1.046 1.00 0.00 N ATOM 1221 CA GLU A 77 -5.233 13.281 -0.319 1.00 0.00 C ATOM 1222 C GLU A 77 -5.572 12.154 -1.307 1.00 0.00 C ATOM 1223 O GLU A 77 -6.095 12.387 -2.389 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.792 13.746 -0.508 1.00 0.00 C ATOM 1225 CG GLU A 77 -3.426 14.844 0.491 1.00 0.00 C ATOM 1226 CD GLU A 77 -4.098 16.158 0.089 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -5.314 16.266 0.240 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -3.397 17.059 -0.371 1.00 0.00 O ATOM 0 H GLU A 77 -4.561 12.500 1.522 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.905 14.118 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.116 12.900 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.658 14.117 -1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.742 14.556 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.344 14.973 0.522 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.235 10.925 -0.857 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.502 9.768 -1.697 1.00 0.00 C ATOM 1237 C GLY A 78 -6.974 9.729 -2.132 1.00 0.00 C ATOM 1238 O GLY A 78 -7.459 10.586 -2.860 1.00 0.00 O ATOM 0 H GLY A 78 -4.798 10.726 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.860 9.798 -2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.256 8.856 -1.154 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.642 8.669 -1.634 1.00 0.00 N ATOM 1243 CA LYS A 79 -9.047 8.506 -1.956 1.00 0.00 C ATOM 1244 C LYS A 79 -9.775 7.875 -0.766 1.00 0.00 C ATOM 1245 O LYS A 79 -9.553 8.211 0.390 1.00 0.00 O ATOM 1246 CB LYS A 79 -9.174 7.614 -3.186 1.00 0.00 C ATOM 1247 CG LYS A 79 -10.513 7.809 -3.895 1.00 0.00 C ATOM 1248 CD LYS A 79 -10.401 8.842 -5.015 1.00 0.00 C ATOM 1249 CE LYS A 79 -11.666 8.881 -5.873 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.573 9.852 -6.957 1.00 0.00 N ATOM 0 H LYS A 79 -7.240 7.949 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.496 9.476 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.361 7.833 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.068 6.570 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.851 6.858 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.265 8.130 -3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.222 9.828 -4.585 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.542 8.607 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.849 7.891 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.522 9.125 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.454 9.841 -7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.425 10.802 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.774 9.607 -7.575 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.653 6.939 -1.153 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.436 6.223 -0.150 1.00 0.00 C ATOM 1266 C LYS A 80 -11.780 4.832 -0.690 1.00 0.00 C ATOM 1267 O LYS A 80 -12.123 4.664 -1.854 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.707 7.008 0.168 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.542 6.310 1.243 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.755 7.149 1.645 1.00 0.00 C ATOM 1271 CE LYS A 80 -14.337 8.449 2.332 1.00 0.00 C ATOM 1272 NZ LYS A 80 -15.481 9.257 2.738 1.00 0.00 N ATOM 0 H LYS A 80 -10.832 6.670 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.860 6.117 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.442 8.010 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.301 7.123 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.876 5.341 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.923 6.121 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.349 7.379 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.392 6.571 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.732 8.215 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.709 9.028 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.146 10.127 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.046 9.504 1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.068 8.717 3.405 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.664 3.848 0.227 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.943 2.496 -0.188 1.00 0.00 C ATOM 1288 C PHE A 81 -12.481 1.655 0.969 1.00 0.00 C ATOM 1289 O PHE A 81 -12.472 2.044 2.135 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.651 1.893 -0.686 1.00 0.00 C ATOM 1291 CG PHE A 81 -10.229 2.508 -1.984 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.788 2.056 -3.202 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -9.258 3.539 -2.005 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -10.381 2.627 -4.429 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.851 4.108 -3.231 1.00 0.00 C ATOM 1296 CZ PHE A 81 -9.412 3.653 -4.442 1.00 0.00 C ATOM 0 H PHE A 81 -11.393 3.971 1.203 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.704 2.509 -0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.869 2.038 0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.774 0.818 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.529 1.271 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.827 3.891 -1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.811 2.278 -5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.109 4.893 -3.242 1.00 0.00 H new ATOM 0 HZ PHE A 81 -9.100 4.090 -5.379 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.917 0.452 0.551 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.460 -0.478 1.523 1.00 0.00 C ATOM 1308 C ASP A 82 -12.313 -1.162 2.262 1.00 0.00 C ATOM 1309 O ASP A 82 -12.295 -1.246 3.484 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.331 -1.509 0.809 1.00 0.00 C ATOM 1311 CG ASP A 82 -14.875 -2.519 1.822 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -14.674 -2.317 3.018 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.493 -3.496 1.402 1.00 0.00 O ATOM 0 H ASP A 82 -12.901 0.122 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.075 0.056 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.156 -1.011 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.749 -2.024 0.045 1.00 0.00 H new ATOM 1318 N THR A 83 -11.357 -1.644 1.443 1.00 0.00 N ATOM 1319 CA THR A 83 -10.222 -2.305 2.030 1.00 0.00 C ATOM 1320 C THR A 83 -9.008 -2.014 1.164 1.00 0.00 C ATOM 1321 O THR A 83 -9.112 -1.502 0.056 1.00 0.00 O ATOM 1322 CB THR A 83 -10.484 -3.808 2.109 1.00 0.00 C ATOM 1323 OG1 THR A 83 -10.588 -4.333 0.808 1.00 0.00 O ATOM 1324 CG2 THR A 83 -11.760 -4.120 2.888 1.00 0.00 C ATOM 0 H THR A 83 -11.361 -1.584 0.425 1.00 0.00 H new ATOM 0 HA THR A 83 -10.046 -1.941 3.042 1.00 0.00 H new ATOM 0 HB THR A 83 -9.649 -4.268 2.637 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.754 -5.298 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.911 -5.199 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.670 -3.734 3.904 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.611 -3.650 2.396 1.00 0.00 H new ATOM 1332 N LEU A 84 -7.859 -2.370 1.740 1.00 0.00 N ATOM 1333 CA LEU A 84 -6.632 -2.160 1.041 1.00 0.00 C ATOM 1334 C LEU A 84 -6.565 -2.957 -0.260 1.00 0.00 C ATOM 1335 O LEU A 84 -5.610 -2.872 -1.014 1.00 0.00 O ATOM 1336 CB LEU A 84 -5.546 -2.616 1.981 1.00 0.00 C ATOM 1337 CG LEU A 84 -4.811 -1.447 2.618 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -3.753 -1.958 3.592 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.181 -0.573 1.542 1.00 0.00 C ATOM 0 H LEU A 84 -7.772 -2.792 2.664 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.530 -1.112 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.982 -3.239 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.835 -3.238 1.438 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.525 -0.841 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.233 -1.112 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.232 -2.547 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.036 -2.581 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.658 0.261 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.474 -1.165 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.960 -0.188 0.884 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.629 -3.729 -0.459 1.00 0.00 N ATOM 1352 CA TRP A 85 -7.703 -4.532 -1.666 1.00 0.00 C ATOM 1353 C TRP A 85 -8.276 -3.694 -2.790 1.00 0.00 C ATOM 1354 O TRP A 85 -7.962 -3.862 -3.962 1.00 0.00 O ATOM 1355 CB TRP A 85 -8.625 -5.712 -1.408 1.00 0.00 C ATOM 1356 CG TRP A 85 -7.892 -7.007 -1.661 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.686 -7.586 -2.912 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -7.287 -7.862 -0.691 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -6.990 -8.751 -2.762 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -6.721 -8.963 -1.405 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -7.181 -7.790 0.692 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -6.057 -9.975 -0.725 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -6.506 -8.818 1.396 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -5.942 -9.912 0.687 1.00 0.00 C ATOM 0 H TRP A 85 -8.423 -3.813 0.176 1.00 0.00 H new ATOM 0 HA TRP A 85 -6.709 -4.883 -1.942 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.986 -5.684 -0.380 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.500 -5.648 -2.055 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.024 -7.177 -3.853 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.709 -9.371 -3.522 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -7.610 -6.956 1.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.631 -10.805 -1.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -6.420 -8.770 2.472 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -5.426 -10.695 1.223 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.138 -2.782 -2.340 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.776 -1.915 -3.302 1.00 0.00 C ATOM 1377 C GLN A 86 -8.900 -0.710 -3.540 1.00 0.00 C ATOM 1378 O GLN A 86 -8.700 -0.272 -4.655 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.156 -1.501 -2.798 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.036 -2.716 -2.503 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.642 -3.247 -3.804 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -11.952 -3.498 -4.784 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -13.977 -3.397 -3.738 1.00 0.00 N ATOM 0 H GLN A 86 -9.395 -2.635 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.909 -2.443 -4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.049 -0.901 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.642 -0.871 -3.543 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.446 -3.496 -2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.829 -2.442 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.475 -3.163 -2.879 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.492 -3.745 -4.547 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.379 -0.209 -2.429 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.517 0.935 -2.574 1.00 0.00 C ATOM 1394 C LEU A 87 -6.260 0.556 -3.353 1.00 0.00 C ATOM 1395 O LEU A 87 -5.656 1.382 -4.016 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.162 1.467 -1.190 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.177 2.626 -1.261 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.160 3.383 0.065 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.778 2.107 -1.599 1.00 0.00 C ATOM 0 H LEU A 87 -8.528 -0.554 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.032 1.716 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.070 1.793 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.734 0.663 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.493 3.311 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.452 4.210 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.156 3.773 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.859 2.707 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.081 2.944 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.453 1.408 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.802 1.598 -2.563 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.918 -0.740 -3.251 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.752 -1.191 -3.941 1.00 0.00 C ATOM 1413 C VAL A 88 -5.088 -1.507 -5.378 1.00 0.00 C ATOM 1414 O VAL A 88 -4.388 -1.117 -6.291 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.234 -2.446 -3.282 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.372 -3.200 -4.275 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.448 -2.108 -2.022 1.00 0.00 C ATOM 0 H VAL A 88 -6.422 -1.447 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.998 -0.405 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.073 -3.075 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.992 -4.109 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.968 -3.462 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.535 -2.572 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.084 -3.027 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.602 -1.472 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.095 -1.583 -1.319 1.00 0.00 H new ATOM 1427 N GLU A 89 -6.176 -2.278 -5.520 1.00 0.00 N ATOM 1428 CA GLU A 89 -6.533 -2.658 -6.869 1.00 0.00 C ATOM 1429 C GLU A 89 -6.876 -1.431 -7.682 1.00 0.00 C ATOM 1430 O GLU A 89 -6.479 -1.281 -8.831 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.690 -3.623 -6.847 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.957 -3.005 -6.293 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.925 -2.681 -7.433 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -10.639 -3.582 -7.871 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.955 -1.531 -7.867 1.00 0.00 O ATOM 0 H GLU A 89 -6.777 -2.623 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.681 -3.153 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.878 -3.981 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.422 -4.492 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.428 -3.691 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.717 -2.097 -5.740 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.635 -0.566 -7.012 1.00 0.00 N ATOM 1443 CA HIS A 90 -8.024 0.644 -7.707 1.00 0.00 C ATOM 1444 C HIS A 90 -6.788 1.368 -8.160 1.00 0.00 C ATOM 1445 O HIS A 90 -6.598 1.677 -9.322 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.837 1.545 -6.797 1.00 0.00 C ATOM 1447 CG HIS A 90 -9.755 2.401 -7.636 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -10.765 1.913 -8.389 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -9.729 3.798 -7.793 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -11.338 2.971 -8.988 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -10.730 4.120 -8.644 1.00 0.00 N ATOM 0 H HIS A 90 -7.971 -0.671 -6.055 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.638 0.378 -8.567 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.419 0.945 -6.097 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.175 2.175 -6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.040 4.484 -7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.180 2.906 -9.661 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.977 5.057 -8.964 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.980 1.625 -7.148 1.00 0.00 N ATOM 1460 CA TYR A 91 -4.738 2.313 -7.417 1.00 0.00 C ATOM 1461 C TYR A 91 -3.892 1.493 -8.390 1.00 0.00 C ATOM 1462 O TYR A 91 -3.044 2.022 -9.098 1.00 0.00 O ATOM 1463 CB TYR A 91 -4.000 2.571 -6.122 1.00 0.00 C ATOM 1464 CG TYR A 91 -4.469 3.861 -5.497 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.799 4.315 -5.702 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -3.596 4.634 -4.696 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -6.248 5.516 -5.110 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -4.045 5.840 -4.106 1.00 0.00 C ATOM 1469 CZ TYR A 91 -5.370 6.278 -4.312 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.807 7.451 -3.731 1.00 0.00 O ATOM 0 H TYR A 91 -6.152 1.379 -6.173 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.946 3.277 -7.881 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.165 1.744 -5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.928 2.620 -6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.473 3.737 -6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.581 4.302 -4.534 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.263 5.850 -5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.372 6.426 -3.497 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.259 8.198 -4.050 1.00 0.00 H new ATOM 1480 N SER A 92 -4.169 0.169 -8.392 1.00 0.00 N ATOM 1481 CA SER A 92 -3.449 -0.667 -9.335 1.00 0.00 C ATOM 1482 C SER A 92 -3.740 -0.183 -10.760 1.00 0.00 C ATOM 1483 O SER A 92 -3.082 -0.550 -11.726 1.00 0.00 O ATOM 1484 CB SER A 92 -3.941 -2.083 -9.169 1.00 0.00 C ATOM 1485 OG SER A 92 -2.875 -2.998 -9.177 1.00 0.00 O ATOM 0 H SER A 92 -4.842 -0.304 -7.789 1.00 0.00 H new ATOM 0 HA SER A 92 -2.375 -0.617 -9.155 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.492 -2.171 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.637 -2.325 -9.972 1.00 0.00 H new ATOM 0 HG SER A 92 -3.223 -3.907 -9.066 1.00 0.00 H new ATOM 1491 N TYR A 93 -4.777 0.668 -10.798 1.00 0.00 N ATOM 1492 CA TYR A 93 -5.206 1.224 -12.054 1.00 0.00 C ATOM 1493 C TYR A 93 -4.439 2.501 -12.297 1.00 0.00 C ATOM 1494 O TYR A 93 -3.738 2.674 -13.283 1.00 0.00 O ATOM 1495 CB TYR A 93 -6.693 1.557 -11.969 1.00 0.00 C ATOM 1496 CG TYR A 93 -7.527 0.379 -11.544 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -7.009 -0.939 -11.607 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -8.847 0.581 -11.075 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -7.801 -2.040 -11.209 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -9.641 -0.520 -10.677 1.00 0.00 C ATOM 1501 CZ TYR A 93 -9.118 -1.830 -10.744 1.00 0.00 C ATOM 1502 OH TYR A 93 -9.892 -2.904 -10.357 1.00 0.00 O ATOM 0 H TYR A 93 -5.312 0.970 -9.984 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.030 0.512 -12.860 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.839 2.374 -11.263 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.038 1.910 -12.941 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.002 -1.103 -11.962 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.250 1.581 -11.021 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.399 -3.041 -11.260 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.648 -0.359 -10.322 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.719 -2.579 -9.944 1.00 0.00 H new ATOM 1512 N LYS A 94 -4.681 3.389 -11.326 1.00 0.00 N ATOM 1513 CA LYS A 94 -4.060 4.674 -11.352 1.00 0.00 C ATOM 1514 C LYS A 94 -3.446 5.022 -10.015 1.00 0.00 C ATOM 1515 O LYS A 94 -3.483 4.281 -9.042 1.00 0.00 O ATOM 1516 CB LYS A 94 -5.139 5.683 -11.620 1.00 0.00 C ATOM 1517 CG LYS A 94 -6.341 5.464 -10.688 1.00 0.00 C ATOM 1518 CD LYS A 94 -7.523 6.351 -11.079 1.00 0.00 C ATOM 1519 CE LYS A 94 -8.349 5.716 -12.198 1.00 0.00 C ATOM 1520 NZ LYS A 94 -9.455 6.565 -12.622 1.00 0.00 N ATOM 0 H LYS A 94 -5.298 3.224 -10.531 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.277 4.672 -12.110 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.744 6.689 -11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.461 5.609 -12.659 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.643 4.417 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.049 5.678 -9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.156 6.521 -10.208 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.157 7.326 -11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.703 5.512 -13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.740 4.757 -11.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.985 6.092 -13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.088 6.739 -11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.083 7.471 -12.972 1.00 0.00 H new ATOM 1534 N ALA A 95 -2.894 6.230 -10.069 1.00 0.00 N ATOM 1535 CA ALA A 95 -2.289 6.789 -8.880 1.00 0.00 C ATOM 1536 C ALA A 95 -3.405 7.342 -7.989 1.00 0.00 C ATOM 1537 O ALA A 95 -3.442 7.124 -6.786 1.00 0.00 O ATOM 1538 CB ALA A 95 -1.313 7.896 -9.274 1.00 0.00 C ATOM 0 H ALA A 95 -2.856 6.821 -10.900 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.734 6.025 -8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.858 8.316 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.535 7.483 -9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.849 8.679 -9.810 1.00 0.00 H new ATOM 1544 N ASP A 96 -4.319 8.064 -8.673 1.00 0.00 N ATOM 1545 CA ASP A 96 -5.448 8.640 -7.944 1.00 0.00 C ATOM 1546 C ASP A 96 -5.010 9.785 -7.031 1.00 0.00 C ATOM 1547 O ASP A 96 -5.815 10.506 -6.454 1.00 0.00 O ATOM 1548 CB ASP A 96 -6.107 7.551 -7.133 1.00 0.00 C ATOM 1549 CG ASP A 96 -7.526 7.302 -7.642 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -8.327 8.236 -7.630 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -7.814 6.178 -8.044 1.00 0.00 O ATOM 0 H ASP A 96 -4.296 8.250 -9.676 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.153 9.055 -8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.522 6.633 -7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.134 7.836 -6.081 1.00 0.00 H new ATOM 1556 N GLY A 97 -3.693 9.887 -6.953 1.00 0.00 N ATOM 1557 CA GLY A 97 -3.104 10.918 -6.123 1.00 0.00 C ATOM 1558 C GLY A 97 -1.637 10.606 -5.802 1.00 0.00 C ATOM 1559 O GLY A 97 -0.836 11.493 -5.532 1.00 0.00 O ATOM 0 H GLY A 97 -3.029 9.285 -7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.170 11.879 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.670 11.009 -5.196 1.00 0.00 H new ATOM 1563 N LEU A 98 -1.350 9.287 -5.835 1.00 0.00 N ATOM 1564 CA LEU A 98 -0.002 8.861 -5.545 1.00 0.00 C ATOM 1565 C LEU A 98 0.965 9.690 -6.374 1.00 0.00 C ATOM 1566 O LEU A 98 0.584 10.597 -7.102 1.00 0.00 O ATOM 1567 CB LEU A 98 0.153 7.403 -5.949 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.873 6.516 -5.274 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.898 5.150 -5.937 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -0.546 6.393 -3.789 1.00 0.00 C ATOM 0 H LEU A 98 -2.013 8.543 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 98 0.204 8.985 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.054 7.314 -7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.155 7.060 -5.691 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.862 6.962 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.639 4.520 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.158 5.261 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.085 4.687 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.285 5.755 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.445 5.955 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.564 7.381 -3.329 1.00 0.00 H new ATOM 1582 N LEU A 99 2.239 9.306 -6.228 1.00 0.00 N ATOM 1583 CA LEU A 99 3.243 9.978 -7.025 1.00 0.00 C ATOM 1584 C LEU A 99 3.098 9.472 -8.468 1.00 0.00 C ATOM 1585 O LEU A 99 3.195 10.218 -9.435 1.00 0.00 O ATOM 1586 CB LEU A 99 4.631 9.673 -6.472 1.00 0.00 C ATOM 1587 CG LEU A 99 5.575 10.863 -6.641 1.00 0.00 C ATOM 1588 CD1 LEU A 99 5.969 11.029 -8.106 1.00 0.00 C ATOM 1589 CD2 LEU A 99 4.917 12.142 -6.121 1.00 0.00 C ATOM 0 H LEU A 99 2.576 8.576 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 99 3.110 11.059 -6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.554 9.415 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.045 8.804 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 99 6.477 10.673 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.641 11.881 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.472 10.126 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.075 11.199 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.601 12.981 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.001 12.333 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.679 12.025 -5.064 1.00 0.00 H new ATOM 1601 N ARG A 100 2.854 8.143 -8.523 1.00 0.00 N ATOM 1602 CA ARG A 100 2.660 7.497 -9.801 1.00 0.00 C ATOM 1603 C ARG A 100 1.825 6.232 -9.577 1.00 0.00 C ATOM 1604 O ARG A 100 1.826 5.645 -8.502 1.00 0.00 O ATOM 1605 CB ARG A 100 4.014 7.140 -10.386 1.00 0.00 C ATOM 1606 CG ARG A 100 3.938 6.891 -11.893 1.00 0.00 C ATOM 1607 CD ARG A 100 3.829 5.400 -12.212 1.00 0.00 C ATOM 1608 NE ARG A 100 4.242 5.147 -13.580 1.00 0.00 N ATOM 1609 CZ ARG A 100 4.011 3.933 -14.113 1.00 0.00 C ATOM 1610 NH1 ARG A 100 3.403 2.993 -13.394 1.00 0.00 N ATOM 1611 NH2 ARG A 100 4.391 3.672 -15.360 1.00 0.00 N ATOM 0 H ARG A 100 2.792 7.528 -7.711 1.00 0.00 H new ATOM 0 HA ARG A 100 2.142 8.158 -10.496 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.719 7.947 -10.187 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.400 6.249 -9.890 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.077 7.416 -12.306 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.824 7.303 -12.376 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.452 4.827 -11.525 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.802 5.064 -12.067 1.00 0.00 H new ATOM 0 HE ARG A 100 4.699 5.876 -14.128 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.111 3.192 -12.437 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.229 2.074 -13.800 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.857 4.392 -15.912 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.216 2.752 -15.764 1.00 0.00 H new ATOM 1625 N VAL A 101 1.118 5.857 -10.654 1.00 0.00 N ATOM 1626 CA VAL A 101 0.293 4.679 -10.574 1.00 0.00 C ATOM 1627 C VAL A 101 1.101 3.524 -9.985 1.00 0.00 C ATOM 1628 O VAL A 101 2.295 3.627 -9.730 1.00 0.00 O ATOM 1629 CB VAL A 101 -0.138 4.304 -11.977 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -1.323 3.371 -11.924 1.00 0.00 C ATOM 1631 CG2 VAL A 101 -0.478 5.549 -12.801 1.00 0.00 C ATOM 0 H VAL A 101 1.109 6.342 -11.551 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.573 4.876 -9.942 1.00 0.00 H new ATOM 0 HB VAL A 101 0.694 3.795 -12.464 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.625 3.108 -12.938 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.050 2.467 -11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.152 3.864 -11.415 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.784 5.249 -13.803 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.292 6.092 -12.320 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.399 6.193 -12.867 1.00 0.00 H new ATOM 1641 N LEU A 102 0.359 2.423 -9.794 1.00 0.00 N ATOM 1642 CA LEU A 102 0.987 1.217 -9.289 1.00 0.00 C ATOM 1643 C LEU A 102 1.148 0.269 -10.454 1.00 0.00 C ATOM 1644 O LEU A 102 0.512 0.396 -11.494 1.00 0.00 O ATOM 1645 CB LEU A 102 0.120 0.572 -8.223 1.00 0.00 C ATOM 1646 CG LEU A 102 0.240 1.268 -6.866 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.285 2.782 -7.015 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.928 0.871 -5.972 1.00 0.00 C ATOM 0 H LEU A 102 -0.642 2.352 -9.977 1.00 0.00 H new ATOM 0 HA LEU A 102 1.952 1.455 -8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.921 0.591 -8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.401 -0.476 -8.116 1.00 0.00 H new ATOM 0 HG LEU A 102 1.176 0.947 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.370 3.242 -6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.145 3.062 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.629 3.127 -7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.835 1.371 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.865 1.166 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.921 -0.209 -5.823 1.00 0.00 H new ATOM 1660 N THR A 103 2.039 -0.679 -10.210 1.00 0.00 N ATOM 1661 CA THR A 103 2.311 -1.633 -11.251 1.00 0.00 C ATOM 1662 C THR A 103 2.731 -2.978 -10.656 1.00 0.00 C ATOM 1663 O THR A 103 2.383 -4.041 -11.157 1.00 0.00 O ATOM 1664 CB THR A 103 3.420 -1.039 -12.122 1.00 0.00 C ATOM 1665 OG1 THR A 103 2.922 -0.788 -13.411 1.00 0.00 O ATOM 1666 CG2 THR A 103 4.644 -1.937 -12.209 1.00 0.00 C ATOM 0 H THR A 103 2.560 -0.800 -9.341 1.00 0.00 H new ATOM 0 HA THR A 103 1.420 -1.823 -11.849 1.00 0.00 H new ATOM 0 HB THR A 103 3.739 -0.109 -11.651 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.632 -0.406 -13.968 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.398 -1.465 -12.839 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.052 -2.093 -11.211 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.361 -2.897 -12.640 1.00 0.00 H new ATOM 1674 N VAL A 104 3.499 -2.860 -9.558 1.00 0.00 N ATOM 1675 CA VAL A 104 4.000 -4.094 -8.940 1.00 0.00 C ATOM 1676 C VAL A 104 4.079 -3.995 -7.420 1.00 0.00 C ATOM 1677 O VAL A 104 4.347 -2.945 -6.861 1.00 0.00 O ATOM 1678 CB VAL A 104 5.428 -4.332 -9.437 1.00 0.00 C ATOM 1679 CG1 VAL A 104 6.026 -5.597 -8.819 1.00 0.00 C ATOM 1680 CG2 VAL A 104 5.491 -4.442 -10.961 1.00 0.00 C ATOM 0 H VAL A 104 3.771 -1.986 -9.107 1.00 0.00 H new ATOM 0 HA VAL A 104 3.312 -4.896 -9.208 1.00 0.00 H new ATOM 0 HB VAL A 104 6.011 -3.466 -9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.041 -5.739 -9.191 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.048 -5.496 -7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.416 -6.458 -9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.522 -4.611 -11.271 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.872 -5.276 -11.292 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.124 -3.518 -11.408 1.00 0.00 H new ATOM 1690 N PRO A 105 3.826 -5.167 -6.772 1.00 0.00 N ATOM 1691 CA PRO A 105 3.977 -5.297 -5.337 1.00 0.00 C ATOM 1692 C PRO A 105 5.478 -5.358 -5.026 1.00 0.00 C ATOM 1693 O PRO A 105 6.237 -6.056 -5.686 1.00 0.00 O ATOM 1694 CB PRO A 105 3.277 -6.599 -4.956 1.00 0.00 C ATOM 1695 CG PRO A 105 2.961 -7.330 -6.273 1.00 0.00 C ATOM 1696 CD PRO A 105 3.282 -6.353 -7.413 1.00 0.00 C ATOM 0 HA PRO A 105 3.546 -4.465 -4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.915 -7.210 -4.317 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.364 -6.398 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.557 -8.238 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.914 -7.631 -6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.000 -6.786 -8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.387 -6.113 -7.987 1.00 0.00 H new ATOM 1704 N CYS A 106 5.855 -4.601 -3.997 1.00 0.00 N ATOM 1705 CA CYS A 106 7.273 -4.516 -3.706 1.00 0.00 C ATOM 1706 C CYS A 106 7.743 -5.632 -2.802 1.00 0.00 C ATOM 1707 O CYS A 106 8.695 -6.345 -3.093 1.00 0.00 O ATOM 1708 CB CYS A 106 7.547 -3.186 -3.034 1.00 0.00 C ATOM 1709 SG CYS A 106 8.971 -2.315 -3.731 1.00 0.00 S ATOM 0 H CYS A 106 5.236 -4.069 -3.386 1.00 0.00 H new ATOM 0 HA CYS A 106 7.817 -4.606 -4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.664 -2.553 -3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.716 -3.352 -1.970 1.00 0.00 H new ATOM 0 HG CYS A 106 8.564 -1.257 -4.367 1.00 0.00 H new ATOM 1715 N GLN A 107 7.023 -5.711 -1.682 1.00 0.00 N ATOM 1716 CA GLN A 107 7.371 -6.684 -0.690 1.00 0.00 C ATOM 1717 C GLN A 107 7.895 -7.962 -1.304 1.00 0.00 C ATOM 1718 O GLN A 107 7.671 -8.303 -2.460 1.00 0.00 O ATOM 1719 CB GLN A 107 6.164 -6.965 0.151 1.00 0.00 C ATOM 1720 CG GLN A 107 6.460 -6.788 1.629 1.00 0.00 C ATOM 1721 CD GLN A 107 5.226 -6.211 2.315 1.00 0.00 C ATOM 1722 OE1 GLN A 107 4.372 -6.926 2.814 1.00 0.00 O ATOM 1723 NE2 GLN A 107 5.195 -4.867 2.290 1.00 0.00 N ATOM 0 H GLN A 107 6.220 -5.123 -1.458 1.00 0.00 H new ATOM 0 HA GLN A 107 8.175 -6.279 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.353 -6.298 -0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.821 -7.983 -0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.727 -7.745 2.077 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.313 -6.123 1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.954 -4.347 1.850 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.412 -4.367 2.711 1.00 0.00 H new ATOM 1857 N GLU B 3 4.150 11.100 1.874 1.00 0.00 N ATOM 1858 CA GLU B 3 4.091 11.891 0.657 1.00 0.00 C ATOM 1859 C GLU B 3 2.686 12.451 0.568 1.00 0.00 C ATOM 1860 O GLU B 3 1.877 12.279 1.472 1.00 0.00 O ATOM 1861 CB GLU B 3 4.396 11.042 -0.573 1.00 0.00 C ATOM 1862 CG GLU B 3 5.861 11.160 -0.983 1.00 0.00 C ATOM 1863 CD GLU B 3 5.980 11.514 -2.470 1.00 0.00 C ATOM 1864 OE1 GLU B 3 4.997 11.370 -3.196 1.00 0.00 O ATOM 1865 OE2 GLU B 3 7.059 11.932 -2.886 1.00 0.00 O ATOM 0 HA GLU B 3 4.837 12.685 0.687 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.158 9.999 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.759 11.355 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.352 11.925 -0.381 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.376 10.220 -0.785 1.00 0.00 H new ATOM 1872 N THR B 4 2.432 13.127 -0.560 1.00 0.00 N ATOM 1873 CA THR B 4 1.102 13.667 -0.708 1.00 0.00 C ATOM 1874 C THR B 4 0.370 12.940 -1.814 1.00 0.00 C ATOM 1875 O THR B 4 0.607 13.108 -3.004 1.00 0.00 O ATOM 1876 CB THR B 4 1.164 15.165 -0.967 1.00 0.00 C ATOM 1877 OG1 THR B 4 2.369 15.484 -1.622 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.057 15.968 0.329 1.00 0.00 C ATOM 0 H THR B 4 3.085 13.298 -1.325 1.00 0.00 H new ATOM 0 HA THR B 4 0.547 13.517 0.218 1.00 0.00 H new ATOM 0 HB THR B 4 0.315 15.430 -1.597 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.405 16.449 -1.789 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.105 17.033 0.102 1.00 0.00 H new ATOM 0 HG22 THR B 4 0.109 15.744 0.819 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.880 15.701 0.992 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.537 12.112 -1.292 1.00 0.00 N ATOM 1887 CA LEU B 5 -1.342 11.294 -2.144 1.00 0.00 C ATOM 1888 C LEU B 5 -2.447 12.137 -2.787 1.00 0.00 C ATOM 1889 O LEU B 5 -3.597 11.728 -2.880 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.928 10.181 -1.296 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.677 8.860 -1.970 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -2.132 7.710 -1.111 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.414 8.836 -3.279 1.00 0.00 C ATOM 0 H LEU B 5 -0.717 12.004 -0.294 1.00 0.00 H new ATOM 0 HA LEU B 5 -0.745 10.867 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.477 10.188 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.998 10.336 -1.161 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.605 8.750 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.936 6.770 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.589 7.725 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.201 7.801 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.240 7.882 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.482 8.961 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.056 9.647 -3.913 1.00 0.00 H new