USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=21 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 53 CYS SG : rot -115:sc= -0.227 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -5.03! C(o=-5.3!,f=-19!) USER MOD Set 2.1: A 50 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 67 LYS NZ :NH3+ -120:sc= -0.0163 (180deg=-0.0416) USER MOD Set 3.1: A 36 ASN : amide:sc= -22! C(o=-33!,f=-30!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= -11.5! C(o=-33!,f=-30!) USER MOD Single : A 17 HIS : no HE2:sc= -13.5! C(o=-13!,f=-15!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.129 USER MOD Single : A 27 GLN : amide:sc= -2.1! C(o=-2.1!,f=-2.7!) USER MOD Single : A 33 SER OG : rot -104:sc= -0.354! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= -2.82! (180deg=-3.8!) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= -0.0143 (180deg=-0.199) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -0.0355 (180deg=-0.302) 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 -110:sc= 0.448 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -150:sc= -0.224 (180deg=-0.874) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.81 K(o=-1.8,f=-4.4!) USER MOD Single : A 90 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-1.4) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 163:sc= -0.503 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 -148:sc= -17.4! USER MOD Single : A 107 GLN : amide:sc= -0.0379 K(o=-0.038,f=-0.79) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.0266 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 1.317 -7.088 -4.744 1.00 0.00 N ATOM 210 CA TRP A 15 1.094 -5.662 -4.590 1.00 0.00 C ATOM 211 C TRP A 15 0.265 -5.391 -3.323 1.00 0.00 C ATOM 212 O TRP A 15 -0.005 -4.250 -2.975 1.00 0.00 O ATOM 213 CB TRP A 15 0.396 -5.101 -5.829 1.00 0.00 C ATOM 214 CG TRP A 15 -0.905 -5.831 -6.080 1.00 0.00 C ATOM 215 CD1 TRP A 15 -1.085 -6.899 -6.959 1.00 0.00 C ATOM 216 CD2 TRP A 15 -2.173 -5.551 -5.489 1.00 0.00 C ATOM 217 NE1 TRP A 15 -2.394 -7.289 -6.936 1.00 0.00 N ATOM 218 CE2 TRP A 15 -3.105 -6.483 -6.041 1.00 0.00 C ATOM 219 CE3 TRP A 15 -2.587 -4.610 -4.559 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -4.438 -6.459 -5.653 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -3.946 -4.575 -4.155 1.00 0.00 C ATOM 222 CH2 TRP A 15 -4.873 -5.501 -4.703 1.00 0.00 C ATOM 0 HA TRP A 15 2.056 -5.160 -4.484 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.203 -4.037 -5.694 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.048 -5.199 -6.697 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.310 -7.348 -7.563 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -2.791 -8.050 -7.486 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.879 -3.908 -4.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.139 -7.166 -6.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.276 -3.845 -3.431 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.908 -5.475 -4.396 1.00 0.00 H new ATOM 233 N PHE A 16 -0.114 -6.510 -2.660 1.00 0.00 N ATOM 234 CA PHE A 16 -0.874 -6.375 -1.438 1.00 0.00 C ATOM 235 C PHE A 16 -0.367 -7.370 -0.413 1.00 0.00 C ATOM 236 O PHE A 16 -0.875 -8.476 -0.274 1.00 0.00 O ATOM 237 CB PHE A 16 -2.346 -6.630 -1.702 1.00 0.00 C ATOM 238 CG PHE A 16 -3.181 -6.350 -0.473 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.584 -5.842 0.715 1.00 0.00 C ATOM 240 CD2 PHE A 16 -4.572 -6.618 -0.478 1.00 0.00 C ATOM 241 CE1 PHE A 16 -3.362 -5.611 1.869 1.00 0.00 C ATOM 242 CE2 PHE A 16 -5.350 -6.386 0.681 1.00 0.00 C ATOM 243 CZ PHE A 16 -4.745 -5.883 1.853 1.00 0.00 C ATOM 0 H PHE A 16 0.092 -7.466 -2.950 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.752 -5.360 -1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.684 -6.001 -2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.488 -7.665 -2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.525 -5.631 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.042 -7.002 -1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.898 -5.226 2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -6.410 -6.594 0.669 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.341 -5.707 2.736 1.00 0.00 H new ATOM 253 N HIS A 17 0.661 -6.902 0.296 1.00 0.00 N ATOM 254 CA HIS A 17 1.221 -7.746 1.313 1.00 0.00 C ATOM 255 C HIS A 17 0.351 -7.672 2.566 1.00 0.00 C ATOM 256 O HIS A 17 0.185 -6.625 3.180 1.00 0.00 O ATOM 257 CB HIS A 17 2.637 -7.290 1.615 1.00 0.00 C ATOM 258 CG HIS A 17 2.606 -5.936 2.295 1.00 0.00 C ATOM 259 ND1 HIS A 17 2.590 -5.767 3.636 1.00 0.00 N ATOM 260 CD2 HIS A 17 2.561 -4.668 1.695 1.00 0.00 C ATOM 261 CE1 HIS A 17 2.538 -4.446 3.852 1.00 0.00 C ATOM 262 NE2 HIS A 17 2.519 -3.759 2.698 1.00 0.00 N ATOM 0 H HIS A 17 1.095 -5.986 0.183 1.00 0.00 H new ATOM 0 HA HIS A 17 1.251 -8.780 0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.134 -8.018 2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.214 -7.231 0.692 1.00 0.00 H new ATOM 0 HD1 HIS A 17 2.613 -6.501 4.344 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.560 -4.457 0.636 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.514 -3.991 4.831 1.00 0.00 H new ATOM 353 N GLU A 23 9.593 -2.471 7.397 1.00 0.00 N ATOM 354 CA GLU A 23 10.930 -2.307 6.906 1.00 0.00 C ATOM 355 C GLU A 23 11.192 -3.413 5.897 1.00 0.00 C ATOM 356 O GLU A 23 11.721 -3.210 4.813 1.00 0.00 O ATOM 357 CB GLU A 23 11.871 -2.425 8.099 1.00 0.00 C ATOM 358 CG GLU A 23 12.347 -3.853 8.351 1.00 0.00 C ATOM 359 CD GLU A 23 13.403 -3.862 9.457 1.00 0.00 C ATOM 360 OE1 GLU A 23 13.027 -3.867 10.628 1.00 0.00 O ATOM 361 OE2 GLU A 23 14.590 -3.866 9.135 1.00 0.00 O ATOM 0 HA GLU A 23 11.080 -1.342 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.737 -1.784 7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.365 -2.055 8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.504 -4.482 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.763 -4.274 7.436 1.00 0.00 H new ATOM 368 N GLU A 24 10.769 -4.597 6.358 1.00 0.00 N ATOM 369 CA GLU A 24 10.920 -5.774 5.527 1.00 0.00 C ATOM 370 C GLU A 24 10.373 -5.494 4.117 1.00 0.00 C ATOM 371 O GLU A 24 10.895 -5.972 3.119 1.00 0.00 O ATOM 372 CB GLU A 24 10.185 -6.938 6.176 1.00 0.00 C ATOM 373 CG GLU A 24 10.757 -7.262 7.557 1.00 0.00 C ATOM 374 CD GLU A 24 10.034 -8.473 8.148 1.00 0.00 C ATOM 375 OE1 GLU A 24 9.685 -9.376 7.390 1.00 0.00 O ATOM 376 OE2 GLU A 24 9.829 -8.500 9.361 1.00 0.00 O ATOM 0 H GLU A 24 10.337 -4.753 7.268 1.00 0.00 H new ATOM 0 HA GLU A 24 11.975 -6.031 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.126 -6.696 6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.257 -7.817 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.825 -7.467 7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.645 -6.402 8.218 1.00 0.00 H new ATOM 383 N SER A 25 9.307 -4.670 4.106 1.00 0.00 N ATOM 384 CA SER A 25 8.691 -4.333 2.827 1.00 0.00 C ATOM 385 C SER A 25 9.479 -3.227 2.106 1.00 0.00 C ATOM 386 O SER A 25 9.471 -3.130 0.885 1.00 0.00 O ATOM 387 CB SER A 25 7.252 -3.877 3.068 1.00 0.00 C ATOM 388 OG SER A 25 6.914 -3.978 4.429 1.00 0.00 O ATOM 0 H SER A 25 8.878 -4.248 4.929 1.00 0.00 H new ATOM 0 HA SER A 25 8.698 -5.218 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.133 -2.846 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.570 -4.485 2.474 1.00 0.00 H new ATOM 0 HG SER A 25 5.990 -3.679 4.560 1.00 0.00 H new ATOM 394 N GLU A 26 10.154 -2.406 2.934 1.00 0.00 N ATOM 395 CA GLU A 26 10.914 -1.312 2.380 1.00 0.00 C ATOM 396 C GLU A 26 12.307 -1.781 1.919 1.00 0.00 C ATOM 397 O GLU A 26 12.960 -1.142 1.100 1.00 0.00 O ATOM 398 CB GLU A 26 11.007 -0.245 3.462 1.00 0.00 C ATOM 399 CG GLU A 26 12.384 0.396 3.511 1.00 0.00 C ATOM 400 CD GLU A 26 12.447 1.420 4.647 1.00 0.00 C ATOM 401 OE1 GLU A 26 11.637 1.326 5.567 1.00 0.00 O ATOM 402 OE2 GLU A 26 13.306 2.299 4.597 1.00 0.00 O ATOM 0 H GLU A 26 10.179 -2.488 3.950 1.00 0.00 H new ATOM 0 HA GLU A 26 10.425 -0.909 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.256 0.523 3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.779 -0.690 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.145 -0.370 3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.601 0.882 2.560 1.00 0.00 H new ATOM 409 N GLN A 27 12.708 -2.938 2.475 1.00 0.00 N ATOM 410 CA GLN A 27 14.003 -3.472 2.082 1.00 0.00 C ATOM 411 C GLN A 27 13.784 -4.210 0.766 1.00 0.00 C ATOM 412 O GLN A 27 14.666 -4.346 -0.068 1.00 0.00 O ATOM 413 CB GLN A 27 14.561 -4.405 3.153 1.00 0.00 C ATOM 414 CG GLN A 27 13.563 -5.492 3.519 1.00 0.00 C ATOM 415 CD GLN A 27 14.169 -6.426 4.569 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.080 -6.068 5.306 1.00 0.00 O ATOM 417 NE2 GLN A 27 13.598 -7.644 4.580 1.00 0.00 N ATOM 0 H GLN A 27 12.184 -3.486 3.157 1.00 0.00 H new ATOM 0 HA GLN A 27 14.735 -2.674 1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.483 -4.862 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 27 14.816 -3.829 4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.648 -5.042 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.289 -6.060 2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.842 -7.859 3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.921 -8.353 5.239 1.00 0.00 H new ATOM 426 N ILE A 28 12.528 -4.672 0.645 1.00 0.00 N ATOM 427 CA ILE A 28 12.155 -5.333 -0.550 1.00 0.00 C ATOM 428 C ILE A 28 12.231 -4.326 -1.691 1.00 0.00 C ATOM 429 O ILE A 28 12.651 -4.622 -2.803 1.00 0.00 O ATOM 430 CB ILE A 28 10.742 -5.830 -0.342 1.00 0.00 C ATOM 431 CG1 ILE A 28 10.715 -7.071 0.532 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.079 -6.127 -1.667 1.00 0.00 C ATOM 433 CD1 ILE A 28 9.325 -7.273 1.134 1.00 0.00 C ATOM 0 H ILE A 28 11.798 -4.589 1.352 1.00 0.00 H new ATOM 0 HA ILE A 28 12.807 -6.172 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 28 10.190 -5.038 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.992 -7.944 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.453 -6.978 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.063 -6.483 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.047 -5.219 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.647 -6.893 -2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.325 -8.167 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.062 -6.407 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.595 -7.389 0.333 1.00 0.00 H new ATOM 445 N VAL A 29 11.776 -3.117 -1.330 1.00 0.00 N ATOM 446 CA VAL A 29 11.838 -2.038 -2.294 1.00 0.00 C ATOM 447 C VAL A 29 13.295 -1.779 -2.647 1.00 0.00 C ATOM 448 O VAL A 29 13.632 -1.333 -3.735 1.00 0.00 O ATOM 449 CB VAL A 29 11.225 -0.775 -1.658 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.973 0.486 -2.094 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.733 -0.627 -1.976 1.00 0.00 C ATOM 0 H VAL A 29 11.381 -2.879 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 29 11.286 -2.299 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 29 11.328 -0.896 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.516 1.359 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.016 0.415 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.920 0.584 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.349 0.278 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.596 -0.561 -3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.192 -1.493 -1.594 1.00 0.00 H new ATOM 461 N LEU A 30 14.129 -2.070 -1.651 1.00 0.00 N ATOM 462 CA LEU A 30 15.519 -1.870 -1.849 1.00 0.00 C ATOM 463 C LEU A 30 15.971 -2.760 -3.003 1.00 0.00 C ATOM 464 O LEU A 30 16.845 -2.422 -3.792 1.00 0.00 O ATOM 465 CB LEU A 30 16.178 -2.248 -0.529 1.00 0.00 C ATOM 466 CG LEU A 30 16.975 -3.542 -0.601 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.393 -3.277 -1.078 1.00 0.00 C ATOM 468 CD2 LEU A 30 16.991 -4.227 0.750 1.00 0.00 C ATOM 0 H LEU A 30 13.857 -2.432 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 30 15.784 -0.846 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.839 -1.440 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.409 -2.345 0.238 1.00 0.00 H new ATOM 0 HG LEU A 30 16.491 -4.202 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.944 -4.217 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.365 -2.826 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.889 -2.598 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.565 -5.151 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.450 -3.568 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.970 -4.456 1.054 1.00 0.00 H new ATOM 480 N ILE A 31 15.294 -3.926 -3.031 1.00 0.00 N ATOM 481 CA ILE A 31 15.603 -4.882 -4.048 1.00 0.00 C ATOM 482 C ILE A 31 15.208 -4.329 -5.387 1.00 0.00 C ATOM 483 O ILE A 31 16.020 -4.038 -6.257 1.00 0.00 O ATOM 484 CB ILE A 31 14.806 -6.167 -3.850 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.376 -6.406 -2.416 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.599 -7.324 -4.367 1.00 0.00 C ATOM 487 CD1 ILE A 31 15.286 -7.404 -1.698 1.00 0.00 C ATOM 0 H ILE A 31 14.561 -4.198 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 31 16.672 -5.089 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 31 13.880 -6.060 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.379 -5.460 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.351 -6.777 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.033 -8.245 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.802 -7.181 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.541 -7.391 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.938 -7.543 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.263 -8.360 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.307 -7.022 -1.686 1.00 0.00 H new ATOM 499 N GLY A 32 13.880 -4.219 -5.472 1.00 0.00 N ATOM 500 CA GLY A 32 13.316 -3.773 -6.716 1.00 0.00 C ATOM 501 C GLY A 32 12.715 -2.375 -6.616 1.00 0.00 C ATOM 502 O GLY A 32 12.367 -1.903 -5.545 1.00 0.00 O ATOM 0 H GLY A 32 13.215 -4.425 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.089 -3.779 -7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.545 -4.475 -7.034 1.00 0.00 H new ATOM 506 N SER A 33 12.622 -1.774 -7.825 1.00 0.00 N ATOM 507 CA SER A 33 12.067 -0.428 -7.947 1.00 0.00 C ATOM 508 C SER A 33 12.890 0.339 -8.986 1.00 0.00 C ATOM 509 O SER A 33 13.062 -0.110 -10.113 1.00 0.00 O ATOM 510 CB SER A 33 12.063 0.287 -6.596 1.00 0.00 C ATOM 511 OG SER A 33 13.314 0.163 -5.968 1.00 0.00 O ATOM 0 H SER A 33 12.919 -2.197 -8.704 1.00 0.00 H new ATOM 0 HA SER A 33 11.029 -0.482 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.823 1.341 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.286 -0.134 -5.958 1.00 0.00 H new ATOM 0 HG SER A 33 13.253 -0.495 -5.245 1.00 0.00 H new ATOM 517 N LYS A 34 13.382 1.518 -8.544 1.00 0.00 N ATOM 518 CA LYS A 34 14.190 2.314 -9.456 1.00 0.00 C ATOM 519 C LYS A 34 13.297 3.122 -10.375 1.00 0.00 C ATOM 520 O LYS A 34 13.346 4.344 -10.447 1.00 0.00 O ATOM 521 CB LYS A 34 15.035 1.378 -10.308 1.00 0.00 C ATOM 522 CG LYS A 34 16.356 2.017 -10.710 1.00 0.00 C ATOM 523 CD LYS A 34 17.442 1.777 -9.660 1.00 0.00 C ATOM 524 CE LYS A 34 17.647 3.000 -8.766 1.00 0.00 C ATOM 525 NZ LYS A 34 18.289 2.661 -7.502 1.00 0.00 N ATOM 0 H LYS A 34 13.239 1.911 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 34 14.822 2.988 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.229 0.459 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.479 1.100 -11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.680 1.611 -11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.215 3.089 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.170 0.919 -9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.380 1.529 -10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.255 3.735 -9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.683 3.467 -8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.407 3.522 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.698 1.980 -6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.221 2.239 -7.688 1.00 0.00 H new ATOM 539 N THR A 35 12.481 2.324 -11.069 1.00 0.00 N ATOM 540 CA THR A 35 11.560 2.880 -12.040 1.00 0.00 C ATOM 541 C THR A 35 10.594 3.908 -11.439 1.00 0.00 C ATOM 542 O THR A 35 9.727 4.448 -12.115 1.00 0.00 O ATOM 543 CB THR A 35 10.785 1.721 -12.642 1.00 0.00 C ATOM 544 OG1 THR A 35 11.388 0.499 -12.284 1.00 0.00 O ATOM 545 CG2 THR A 35 10.719 1.823 -14.153 1.00 0.00 C ATOM 0 H THR A 35 12.445 1.309 -10.973 1.00 0.00 H new ATOM 0 HA THR A 35 12.132 3.420 -12.794 1.00 0.00 H new ATOM 0 HB THR A 35 9.769 1.763 -12.249 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.881 -0.243 -12.675 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.157 0.978 -14.551 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.223 2.752 -14.434 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.729 1.812 -14.563 1.00 0.00 H new ATOM 553 N ASN A 36 10.800 4.136 -10.147 1.00 0.00 N ATOM 554 CA ASN A 36 9.960 5.096 -9.460 1.00 0.00 C ATOM 555 C ASN A 36 8.493 4.759 -9.713 1.00 0.00 C ATOM 556 O ASN A 36 7.671 5.613 -10.019 1.00 0.00 O ATOM 557 CB ASN A 36 10.298 6.499 -9.969 1.00 0.00 C ATOM 558 CG ASN A 36 9.476 7.556 -9.227 1.00 0.00 C ATOM 559 OD1 ASN A 36 8.289 7.739 -9.461 1.00 0.00 O ATOM 560 ND2 ASN A 36 10.196 8.244 -8.327 1.00 0.00 N ATOM 0 H ASN A 36 11.515 3.686 -9.576 1.00 0.00 H new ATOM 0 HA ASN A 36 10.137 5.059 -8.385 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.361 6.695 -9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.099 6.561 -11.039 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.755 8.982 -7.778 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.184 8.029 -8.192 1.00 0.00 H new ATOM 567 N GLY A 37 8.230 3.452 -9.574 1.00 0.00 N ATOM 568 CA GLY A 37 6.870 2.998 -9.775 1.00 0.00 C ATOM 569 C GLY A 37 6.550 1.739 -8.960 1.00 0.00 C ATOM 570 O GLY A 37 5.497 1.139 -9.115 1.00 0.00 O ATOM 0 H GLY A 37 8.911 2.731 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.179 3.794 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.710 2.793 -10.834 1.00 0.00 H new ATOM 574 N LYS A 38 7.506 1.369 -8.083 1.00 0.00 N ATOM 575 CA LYS A 38 7.239 0.185 -7.293 1.00 0.00 C ATOM 576 C LYS A 38 6.444 0.585 -6.070 1.00 0.00 C ATOM 577 O LYS A 38 6.566 1.683 -5.552 1.00 0.00 O ATOM 578 CB LYS A 38 8.526 -0.504 -6.887 1.00 0.00 C ATOM 579 CG LYS A 38 8.264 -1.963 -6.523 1.00 0.00 C ATOM 580 CD LYS A 38 9.563 -2.734 -6.339 1.00 0.00 C ATOM 581 CE LYS A 38 9.792 -3.729 -7.476 1.00 0.00 C ATOM 582 NZ LYS A 38 10.159 -3.070 -8.724 1.00 0.00 N ATOM 0 H LYS A 38 8.397 1.839 -7.921 1.00 0.00 H new ATOM 0 HA LYS A 38 6.666 -0.523 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.246 -0.451 -7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.970 0.014 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.678 -2.010 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.668 -2.433 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.398 -2.035 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.539 -3.266 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.579 -4.427 -7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.886 -4.315 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.793 -3.620 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.751 -2.114 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.195 -3.006 -8.791 1.00 0.00 H new ATOM 596 N PHE A 39 5.633 -0.384 -5.640 1.00 0.00 N ATOM 597 CA PHE A 39 4.794 -0.096 -4.487 1.00 0.00 C ATOM 598 C PHE A 39 4.274 -1.376 -3.828 1.00 0.00 C ATOM 599 O PHE A 39 4.300 -2.462 -4.388 1.00 0.00 O ATOM 600 CB PHE A 39 3.621 0.778 -4.940 1.00 0.00 C ATOM 601 CG PHE A 39 2.592 -0.024 -5.691 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.809 -0.385 -7.044 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.402 -0.440 -5.046 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.848 -1.153 -7.741 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.441 -1.208 -5.743 1.00 0.00 C ATOM 606 CZ PHE A 39 0.665 -1.564 -7.090 1.00 0.00 C ATOM 0 H PHE A 39 5.543 -1.316 -6.045 1.00 0.00 H new ATOM 0 HA PHE A 39 5.393 0.429 -3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.157 1.244 -4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.990 1.583 -5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.713 -0.072 -7.545 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.227 -0.169 -4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.019 -1.425 -8.772 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.464 -1.522 -5.245 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.069 -2.151 -7.623 1.00 0.00 H new ATOM 616 N LEU A 40 3.777 -1.135 -2.603 1.00 0.00 N ATOM 617 CA LEU A 40 3.201 -2.218 -1.828 1.00 0.00 C ATOM 618 C LEU A 40 2.270 -1.592 -0.786 1.00 0.00 C ATOM 619 O LEU A 40 2.628 -0.650 -0.089 1.00 0.00 O ATOM 620 CB LEU A 40 4.320 -3.035 -1.177 1.00 0.00 C ATOM 621 CG LEU A 40 5.097 -2.219 -0.138 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.448 -2.330 1.241 1.00 0.00 C ATOM 623 CD2 LEU A 40 6.548 -2.695 -0.064 1.00 0.00 C ATOM 0 H LEU A 40 3.767 -0.222 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 40 2.630 -2.901 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.894 -3.918 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.006 -3.389 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 40 5.077 -1.175 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.018 -1.742 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.426 -1.953 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.436 -3.374 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.087 -2.106 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.572 -3.747 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.021 -2.572 -1.038 1.00 0.00 H new ATOM 635 N ILE A 41 1.055 -2.165 -0.735 1.00 0.00 N ATOM 636 CA ILE A 41 0.078 -1.629 0.203 1.00 0.00 C ATOM 637 C ILE A 41 -0.013 -2.525 1.435 1.00 0.00 C ATOM 638 O ILE A 41 0.063 -3.745 1.358 1.00 0.00 O ATOM 639 CB ILE A 41 -1.281 -1.531 -0.483 1.00 0.00 C ATOM 640 CG1 ILE A 41 -2.250 -0.721 0.373 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.852 -2.920 -0.740 1.00 0.00 C ATOM 642 CD1 ILE A 41 -2.353 0.723 -0.121 1.00 0.00 C ATOM 0 H ILE A 41 0.745 -2.955 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 41 0.390 -0.635 0.523 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.146 -1.026 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.235 -1.187 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.917 -0.730 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.822 -2.830 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.172 -3.480 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.972 -3.445 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.051 1.274 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.371 1.194 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.710 0.731 -1.151 1.00 0.00 H new ATOM 654 N ARG A 42 -0.190 -1.829 2.573 1.00 0.00 N ATOM 655 CA ARG A 42 -0.295 -2.559 3.822 1.00 0.00 C ATOM 656 C ARG A 42 -1.683 -2.351 4.425 1.00 0.00 C ATOM 657 O ARG A 42 -2.269 -1.278 4.349 1.00 0.00 O ATOM 658 CB ARG A 42 0.784 -2.075 4.788 1.00 0.00 C ATOM 659 CG ARG A 42 0.825 -2.927 6.057 1.00 0.00 C ATOM 660 CD ARG A 42 -0.072 -2.350 7.151 1.00 0.00 C ATOM 661 NE ARG A 42 0.575 -1.214 7.781 1.00 0.00 N ATOM 662 CZ ARG A 42 1.502 -1.445 8.729 1.00 0.00 C ATOM 663 NH1 ARG A 42 1.808 -2.693 9.073 1.00 0.00 N ATOM 664 NH2 ARG A 42 2.114 -0.425 9.323 1.00 0.00 N ATOM 0 H ARG A 42 -0.259 -0.814 2.643 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.151 -3.623 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.756 -2.108 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.596 -1.035 5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.508 -3.943 5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.850 -2.989 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.027 -2.044 6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.287 -3.115 7.897 1.00 0.00 H new ATOM 0 HE ARG A 42 0.332 -0.261 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.340 -3.477 8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.511 -2.866 9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.881 0.533 9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.817 -0.600 10.041 1.00 0.00 H new ATOM 678 N ALA A 43 -2.162 -3.455 5.027 1.00 0.00 N ATOM 679 CA ALA A 43 -3.475 -3.398 5.645 1.00 0.00 C ATOM 680 C ALA A 43 -3.590 -4.508 6.690 1.00 0.00 C ATOM 681 O ALA A 43 -3.552 -5.693 6.383 1.00 0.00 O ATOM 682 CB ALA A 43 -4.548 -3.556 4.571 1.00 0.00 C ATOM 0 H ALA A 43 -1.679 -4.351 5.092 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.614 -2.436 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.534 -3.513 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.454 -2.751 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.423 -4.516 4.070 1.00 0.00 H new ATOM 770 N TYR A 50 -4.224 2.116 6.931 1.00 0.00 N ATOM 771 CA TYR A 50 -3.717 1.568 5.684 1.00 0.00 C ATOM 772 C TYR A 50 -2.581 2.456 5.179 1.00 0.00 C ATOM 773 O TYR A 50 -2.726 3.662 4.995 1.00 0.00 O ATOM 774 CB TYR A 50 -4.845 1.497 4.654 1.00 0.00 C ATOM 775 CG TYR A 50 -6.000 0.686 5.166 1.00 0.00 C ATOM 776 CD1 TYR A 50 -5.830 -0.685 5.479 1.00 0.00 C ATOM 777 CD2 TYR A 50 -7.271 1.284 5.346 1.00 0.00 C ATOM 778 CE1 TYR A 50 -6.918 -1.447 5.965 1.00 0.00 C ATOM 779 CE2 TYR A 50 -8.358 0.522 5.832 1.00 0.00 C ATOM 780 CZ TYR A 50 -8.181 -0.843 6.142 1.00 0.00 C ATOM 781 OH TYR A 50 -9.242 -1.587 6.617 1.00 0.00 O ATOM 0 HA TYR A 50 -3.338 0.559 5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.184 2.504 4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.470 1.057 3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.865 -1.151 5.346 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.411 2.329 5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.782 -2.492 6.201 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.324 0.985 5.966 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.907 -2.296 7.205 1.00 0.00 H new ATOM 791 N ALA A 51 -1.433 1.795 4.966 1.00 0.00 N ATOM 792 CA ALA A 51 -0.307 2.573 4.497 1.00 0.00 C ATOM 793 C ALA A 51 0.200 2.040 3.165 1.00 0.00 C ATOM 794 O ALA A 51 0.431 0.852 2.974 1.00 0.00 O ATOM 795 CB ALA A 51 0.805 2.571 5.546 1.00 0.00 C ATOM 0 H ALA A 51 -1.275 0.797 5.102 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.633 3.601 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.648 3.159 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.431 3.005 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.130 1.547 5.730 1.00 0.00 H new ATOM 801 N LEU A 52 0.351 3.025 2.265 1.00 0.00 N ATOM 802 CA LEU A 52 0.843 2.702 0.935 1.00 0.00 C ATOM 803 C LEU A 52 2.333 3.020 0.883 1.00 0.00 C ATOM 804 O LEU A 52 2.757 4.143 1.119 1.00 0.00 O ATOM 805 CB LEU A 52 0.081 3.520 -0.107 1.00 0.00 C ATOM 806 CG LEU A 52 0.906 3.746 -1.374 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.216 2.412 -2.057 1.00 0.00 C ATOM 808 CD2 LEU A 52 0.148 4.660 -2.334 1.00 0.00 C ATOM 0 H LEU A 52 0.147 4.010 2.432 1.00 0.00 H new ATOM 0 HA LEU A 52 0.689 1.645 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.845 3.006 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.197 4.483 0.321 1.00 0.00 H new ATOM 0 HG LEU A 52 1.847 4.221 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.804 2.592 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.782 1.777 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.284 1.916 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.743 4.816 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.802 4.198 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.039 5.620 -1.852 1.00 0.00 H new ATOM 820 N CYS A 53 3.095 1.966 0.545 1.00 0.00 N ATOM 821 CA CYS A 53 4.531 2.158 0.492 1.00 0.00 C ATOM 822 C CYS A 53 5.057 1.946 -0.920 1.00 0.00 C ATOM 823 O CYS A 53 4.948 0.874 -1.498 1.00 0.00 O ATOM 824 CB CYS A 53 5.214 1.181 1.444 1.00 0.00 C ATOM 825 SG CYS A 53 4.420 1.106 3.068 1.00 0.00 S ATOM 0 H CYS A 53 2.756 1.031 0.319 1.00 0.00 H new ATOM 0 HA CYS A 53 4.752 3.182 0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.212 0.186 0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.257 1.472 1.569 1.00 0.00 H new ATOM 0 HG CYS A 53 5.238 1.556 3.972 1.00 0.00 H new ATOM 831 N LEU A 54 5.648 3.039 -1.423 1.00 0.00 N ATOM 832 CA LEU A 54 6.239 2.951 -2.752 1.00 0.00 C ATOM 833 C LEU A 54 7.577 3.677 -2.732 1.00 0.00 C ATOM 834 O LEU A 54 7.860 4.483 -1.858 1.00 0.00 O ATOM 835 CB LEU A 54 5.298 3.492 -3.842 1.00 0.00 C ATOM 836 CG LEU A 54 4.797 4.916 -3.594 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.689 4.919 -2.546 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.942 5.844 -3.185 1.00 0.00 C ATOM 0 H LEU A 54 5.725 3.943 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 54 6.402 1.904 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.817 3.464 -4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.439 2.827 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 54 4.385 5.296 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.345 5.940 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.857 4.307 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.072 4.511 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.554 6.848 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.401 5.473 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.688 5.872 -3.979 1.00 0.00 H new ATOM 850 N LEU A 55 8.401 3.316 -3.724 1.00 0.00 N ATOM 851 CA LEU A 55 9.703 3.947 -3.769 1.00 0.00 C ATOM 852 C LEU A 55 9.783 4.867 -4.971 1.00 0.00 C ATOM 853 O LEU A 55 9.554 4.469 -6.108 1.00 0.00 O ATOM 854 CB LEU A 55 10.782 2.883 -3.834 1.00 0.00 C ATOM 855 CG LEU A 55 12.172 3.514 -3.811 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.797 3.446 -2.426 1.00 0.00 C ATOM 857 CD2 LEU A 55 13.082 2.813 -4.805 1.00 0.00 C ATOM 0 H LEU A 55 8.200 2.635 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 55 9.855 4.541 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.675 2.199 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.661 2.292 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 55 12.059 4.563 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.785 3.905 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.166 3.980 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.888 2.404 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.070 3.272 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.164 1.758 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.665 2.905 -5.808 1.00 0.00 H new ATOM 869 N HIS A 56 10.124 6.124 -4.646 1.00 0.00 N ATOM 870 CA HIS A 56 10.214 7.090 -5.705 1.00 0.00 C ATOM 871 C HIS A 56 11.635 7.669 -5.812 1.00 0.00 C ATOM 872 O HIS A 56 12.077 8.453 -4.982 1.00 0.00 O ATOM 873 CB HIS A 56 9.196 8.185 -5.431 1.00 0.00 C ATOM 874 CG HIS A 56 7.821 7.675 -5.802 1.00 0.00 C ATOM 875 ND1 HIS A 56 6.694 7.967 -5.118 1.00 0.00 N ATOM 876 CD2 HIS A 56 7.472 6.837 -6.878 1.00 0.00 C ATOM 877 CE1 HIS A 56 5.690 7.335 -5.750 1.00 0.00 C ATOM 878 NE2 HIS A 56 6.135 6.646 -6.814 1.00 0.00 N ATOM 0 H HIS A 56 10.328 6.465 -3.707 1.00 0.00 H new ATOM 0 HA HIS A 56 9.998 6.612 -6.661 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.222 8.470 -4.379 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.436 9.077 -6.009 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.145 6.425 -7.615 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.656 7.376 -5.441 1.00 0.00 H new ATOM 0 HE2 HIS A 56 5.571 6.085 -7.453 1.00 0.00 H new ATOM 886 N GLU A 57 12.305 7.205 -6.892 1.00 0.00 N ATOM 887 CA GLU A 57 13.652 7.692 -7.192 1.00 0.00 C ATOM 888 C GLU A 57 14.731 7.181 -6.226 1.00 0.00 C ATOM 889 O GLU A 57 15.896 7.539 -6.349 1.00 0.00 O ATOM 890 CB GLU A 57 13.626 9.209 -7.170 1.00 0.00 C ATOM 891 CG GLU A 57 12.559 9.768 -8.110 1.00 0.00 C ATOM 892 CD GLU A 57 13.046 11.080 -8.728 1.00 0.00 C ATOM 893 OE1 GLU A 57 14.219 11.158 -9.091 1.00 0.00 O ATOM 894 OE2 GLU A 57 12.248 12.009 -8.839 1.00 0.00 O ATOM 0 H GLU A 57 11.940 6.514 -7.548 1.00 0.00 H new ATOM 0 HA GLU A 57 13.924 7.305 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.434 9.555 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.604 9.594 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.339 9.045 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.631 9.936 -7.563 1.00 0.00 H new ATOM 901 N GLY A 58 14.306 6.341 -5.271 1.00 0.00 N ATOM 902 CA GLY A 58 15.298 5.839 -4.334 1.00 0.00 C ATOM 903 C GLY A 58 15.033 6.346 -2.912 1.00 0.00 C ATOM 904 O GLY A 58 15.928 6.473 -2.086 1.00 0.00 O ATOM 0 H GLY A 58 13.348 6.017 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.288 4.749 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.292 6.151 -4.653 1.00 0.00 H new ATOM 908 N LYS A 59 13.740 6.622 -2.703 1.00 0.00 N ATOM 909 CA LYS A 59 13.308 7.091 -1.416 1.00 0.00 C ATOM 910 C LYS A 59 11.998 6.391 -1.136 1.00 0.00 C ATOM 911 O LYS A 59 10.931 6.798 -1.579 1.00 0.00 O ATOM 912 CB LYS A 59 13.117 8.599 -1.425 1.00 0.00 C ATOM 913 CG LYS A 59 14.369 9.332 -1.910 1.00 0.00 C ATOM 914 CD LYS A 59 14.077 10.175 -3.152 1.00 0.00 C ATOM 915 CE LYS A 59 15.030 11.365 -3.260 1.00 0.00 C ATOM 916 NZ LYS A 59 14.764 12.381 -2.248 1.00 0.00 N ATOM 0 H LYS A 59 13.003 6.526 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 59 14.050 6.874 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.275 8.854 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.864 8.939 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.748 9.973 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.152 8.608 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.167 9.554 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.048 10.534 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.057 11.015 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.941 11.810 -4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.191 13.283 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.737 12.503 -2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.174 12.082 -1.340 1.00 0.00 H new ATOM 930 N VAL A 60 12.153 5.317 -0.371 1.00 0.00 N ATOM 931 CA VAL A 60 10.980 4.538 -0.064 1.00 0.00 C ATOM 932 C VAL A 60 10.047 5.373 0.785 1.00 0.00 C ATOM 933 O VAL A 60 10.451 6.108 1.679 1.00 0.00 O ATOM 934 CB VAL A 60 11.359 3.271 0.688 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.468 3.566 2.178 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.308 2.188 0.457 1.00 0.00 C ATOM 0 H VAL A 60 13.032 4.985 0.026 1.00 0.00 H new ATOM 0 HA VAL A 60 10.488 4.252 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 60 12.322 2.918 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.740 2.655 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.233 4.325 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.510 3.930 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.590 1.286 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.340 2.539 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.243 1.965 -0.608 1.00 0.00 H new ATOM 946 N LEU A 61 8.778 5.190 0.448 1.00 0.00 N ATOM 947 CA LEU A 61 7.768 5.930 1.167 1.00 0.00 C ATOM 948 C LEU A 61 6.701 5.027 1.708 1.00 0.00 C ATOM 949 O LEU A 61 6.611 3.842 1.418 1.00 0.00 O ATOM 950 CB LEU A 61 7.124 6.971 0.262 1.00 0.00 C ATOM 951 CG LEU A 61 8.181 7.723 -0.521 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.560 8.875 -1.305 1.00 0.00 C ATOM 953 CD2 LEU A 61 9.235 8.235 0.449 1.00 0.00 C ATOM 0 H LEU A 61 8.440 4.565 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 61 8.265 6.422 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.431 6.485 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.541 7.671 0.861 1.00 0.00 H new ATOM 0 HG LEU A 61 8.645 7.052 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.339 9.400 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.820 8.483 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.077 9.567 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.003 8.779 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.769 8.901 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.690 7.393 0.970 1.00 0.00 H new ATOM 965 N HIS A 62 5.904 5.717 2.521 1.00 0.00 N ATOM 966 CA HIS A 62 4.781 5.053 3.161 1.00 0.00 C ATOM 967 C HIS A 62 3.697 6.102 3.419 1.00 0.00 C ATOM 968 O HIS A 62 3.972 7.196 3.883 1.00 0.00 O ATOM 969 CB HIS A 62 5.214 4.419 4.496 1.00 0.00 C ATOM 970 CG HIS A 62 6.515 3.651 4.349 1.00 0.00 C ATOM 971 ND1 HIS A 62 6.601 2.302 4.320 1.00 0.00 N ATOM 972 CD2 HIS A 62 7.820 4.172 4.262 1.00 0.00 C ATOM 973 CE1 HIS A 62 7.909 2.005 4.222 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.664 3.117 4.184 1.00 0.00 N ATOM 0 H HIS A 62 6.012 6.706 2.745 1.00 0.00 H new ATOM 0 HA HIS A 62 4.406 4.259 2.515 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.333 5.198 5.249 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.432 3.748 4.852 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.095 5.216 4.258 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.303 1.000 4.179 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.681 3.158 4.110 1.00 0.00 H new ATOM 982 N TYR A 63 2.456 5.718 3.074 1.00 0.00 N ATOM 983 CA TYR A 63 1.367 6.655 3.317 1.00 0.00 C ATOM 984 C TYR A 63 0.481 6.074 4.421 1.00 0.00 C ATOM 985 O TYR A 63 0.671 4.950 4.846 1.00 0.00 O ATOM 986 CB TYR A 63 0.617 6.952 2.019 1.00 0.00 C ATOM 987 CG TYR A 63 1.508 7.755 1.107 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.813 9.108 1.411 1.00 0.00 C ATOM 989 CD2 TYR A 63 2.131 7.148 -0.013 1.00 0.00 C ATOM 990 CE1 TYR A 63 2.729 9.827 0.616 1.00 0.00 C ATOM 991 CE2 TYR A 63 3.047 7.875 -0.804 1.00 0.00 C ATOM 992 CZ TYR A 63 3.344 9.213 -0.490 1.00 0.00 C ATOM 993 OH TYR A 63 4.239 9.923 -1.266 1.00 0.00 O ATOM 0 H TYR A 63 2.199 4.825 2.654 1.00 0.00 H new ATOM 0 HA TYR A 63 1.742 7.619 3.660 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.323 6.022 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.299 7.504 2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.341 9.589 2.255 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.903 6.122 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.960 10.854 0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.520 7.403 -1.652 1.00 0.00 H new ATOM 0 HH TYR A 63 4.572 9.350 -1.988 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.470 6.915 4.865 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.321 6.495 5.991 1.00 0.00 C ATOM 1005 C ARG A 64 -2.758 6.160 5.585 1.00 0.00 C ATOM 1006 O ARG A 64 -3.655 6.075 6.415 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.380 7.652 6.949 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.749 7.320 8.302 1.00 0.00 C ATOM 1009 CD ARG A 64 -1.617 7.807 9.462 1.00 0.00 C ATOM 1010 NE ARG A 64 -1.817 9.242 9.375 1.00 0.00 N ATOM 1011 CZ ARG A 64 -2.705 9.821 10.205 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -3.378 9.082 11.084 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -2.910 11.134 10.147 1.00 0.00 N ATOM 0 H ARG A 64 -0.663 7.842 4.485 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.888 5.590 6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.867 8.509 6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.419 7.945 7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.605 6.243 8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.237 7.780 8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.580 7.297 9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.142 7.556 10.411 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.296 9.800 8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.221 8.075 11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.050 9.523 11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.395 11.701 9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.583 11.573 10.775 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.887 6.012 4.280 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.188 5.695 3.670 1.00 0.00 C ATOM 1029 C ILE A 65 -5.182 5.162 4.713 1.00 0.00 C ATOM 1030 O ILE A 65 -4.864 4.310 5.532 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.978 4.656 2.574 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.171 5.249 1.423 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.322 4.135 2.067 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.741 4.164 0.440 1.00 0.00 C ATOM 0 H ILE A 65 -2.119 6.103 3.616 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.609 6.608 3.249 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.418 3.821 2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.768 5.999 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.291 5.758 1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.154 3.394 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.868 3.675 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.904 4.963 1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.168 4.614 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.124 3.429 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.624 3.673 0.031 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.405 5.723 4.624 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.425 5.300 5.568 1.00 0.00 C ATOM 1048 C ASP A 66 -8.756 5.076 4.855 1.00 0.00 C ATOM 1049 O ASP A 66 -8.821 4.390 3.850 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.540 6.343 6.682 1.00 0.00 C ATOM 1051 CG ASP A 66 -8.319 5.761 7.864 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.679 4.586 7.808 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -8.557 6.489 8.826 1.00 0.00 O ATOM 0 H ASP A 66 -6.688 6.429 3.945 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.143 4.348 6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.546 6.651 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.044 7.234 6.307 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.799 5.608 5.525 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.136 5.522 5.003 1.00 0.00 C ATOM 1060 C LYS A 67 -11.971 6.684 5.555 1.00 0.00 C ATOM 1061 O LYS A 67 -11.491 7.803 5.696 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.685 4.174 5.434 1.00 0.00 C ATOM 1063 CG LYS A 67 -11.876 4.116 6.942 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.652 2.702 7.476 1.00 0.00 C ATOM 1065 CE LYS A 67 -12.675 1.720 6.904 1.00 0.00 C ATOM 1066 NZ LYS A 67 -12.105 0.399 6.668 1.00 0.00 N ATOM 0 H LYS A 67 -9.720 6.093 6.419 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.162 5.598 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.637 3.990 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.003 3.383 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.182 4.804 7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.883 4.448 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.645 2.371 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.720 2.707 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.515 1.632 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.070 2.115 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.187 0.161 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.102 0.399 6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.619 -0.307 7.233 1.00 0.00 H new ATOM 1080 N ASP A 68 -13.241 6.354 5.857 1.00 0.00 N ATOM 1081 CA ASP A 68 -14.116 7.402 6.379 1.00 0.00 C ATOM 1082 C ASP A 68 -15.114 6.828 7.392 1.00 0.00 C ATOM 1083 O ASP A 68 -16.227 7.318 7.545 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.863 8.046 5.216 1.00 0.00 C ATOM 1085 CG ASP A 68 -15.412 9.409 5.641 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -15.004 9.904 6.690 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -16.240 9.960 4.918 1.00 0.00 O ATOM 0 H ASP A 68 -13.658 5.429 5.755 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.511 8.149 6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.194 8.163 4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.679 7.400 4.894 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.647 5.760 8.064 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.500 5.105 9.056 1.00 0.00 C ATOM 1094 C LYS A 69 -16.774 4.523 8.420 1.00 0.00 C ATOM 1095 O LYS A 69 -17.551 3.829 9.065 1.00 0.00 O ATOM 1096 CB LYS A 69 -15.852 6.098 10.159 1.00 0.00 C ATOM 1097 CG LYS A 69 -14.630 6.906 10.595 1.00 0.00 C ATOM 1098 CD LYS A 69 -14.692 8.341 10.072 1.00 0.00 C ATOM 1099 CE LYS A 69 -15.213 9.306 11.137 1.00 0.00 C ATOM 1100 NZ LYS A 69 -14.282 9.464 12.248 1.00 0.00 N ATOM 0 H LYS A 69 -13.721 5.350 7.942 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.947 4.269 9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.630 6.775 9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.260 5.562 11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.569 6.917 11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.724 6.423 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.699 8.655 9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.339 8.382 9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.399 10.279 10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.168 8.943 11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.463 10.370 12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.412 8.684 12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.306 9.452 11.888 1.00 0.00 H new ATOM 1114 N THR A 70 -16.931 4.845 7.130 1.00 0.00 N ATOM 1115 CA THR A 70 -18.063 4.341 6.403 1.00 0.00 C ATOM 1116 C THR A 70 -17.688 2.994 5.783 1.00 0.00 C ATOM 1117 O THR A 70 -18.524 2.136 5.527 1.00 0.00 O ATOM 1118 CB THR A 70 -18.365 5.344 5.304 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.298 6.289 5.764 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.883 4.668 4.047 1.00 0.00 C ATOM 0 H THR A 70 -16.297 5.438 6.594 1.00 0.00 H new ATOM 0 HA THR A 70 -18.929 4.205 7.050 1.00 0.00 H new ATOM 0 HB THR A 70 -17.432 5.845 5.046 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.488 6.935 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.087 5.422 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.134 3.969 3.675 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.801 4.127 4.277 1.00 0.00 H new ATOM 1128 N GLY A 71 -16.366 2.885 5.565 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.855 1.682 4.960 1.00 0.00 C ATOM 1130 C GLY A 71 -14.983 1.984 3.732 1.00 0.00 C ATOM 1131 O GLY A 71 -14.143 1.190 3.325 1.00 0.00 O ATOM 0 H GLY A 71 -15.670 3.595 5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.270 1.127 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.687 1.042 4.666 1.00 0.00 H new ATOM 1135 N LYS A 72 -15.244 3.182 3.178 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.493 3.589 2.004 1.00 0.00 C ATOM 1137 C LYS A 72 -13.138 4.133 2.443 1.00 0.00 C ATOM 1138 O LYS A 72 -13.044 5.062 3.234 1.00 0.00 O ATOM 1139 CB LYS A 72 -15.278 4.653 1.240 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.679 4.162 0.875 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.479 5.240 0.142 1.00 0.00 C ATOM 1142 CE LYS A 72 -18.890 4.758 -0.197 1.00 0.00 C ATOM 1143 NZ LYS A 72 -19.680 5.782 -0.869 1.00 0.00 N ATOM 0 H LYS A 72 -15.938 3.850 3.514 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.335 2.735 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.354 5.556 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.738 4.923 0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.602 3.275 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.209 3.867 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.538 6.135 0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.959 5.520 -0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.826 3.876 -0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.397 4.454 0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.628 5.408 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.765 6.615 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.212 6.055 -1.757 1.00 0.00 H new ATOM 1157 N LEU A 73 -12.102 3.527 1.836 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.761 3.940 2.189 1.00 0.00 C ATOM 1159 C LEU A 73 -10.475 5.273 1.500 1.00 0.00 C ATOM 1160 O LEU A 73 -11.087 5.608 0.498 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.776 2.874 1.721 1.00 0.00 C ATOM 1162 CG LEU A 73 -10.214 1.475 2.150 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -9.078 0.474 1.947 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -10.660 1.482 3.613 1.00 0.00 C ATOM 0 H LEU A 73 -12.172 2.789 1.136 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.660 4.060 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.688 2.911 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.788 3.087 2.128 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.058 1.172 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.407 -0.518 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.798 0.450 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.217 0.774 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.969 0.478 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.832 1.804 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.497 2.169 3.735 1.00 0.00 H new ATOM 1176 N SER A 74 -9.524 6.018 2.098 1.00 0.00 N ATOM 1177 CA SER A 74 -9.209 7.302 1.501 1.00 0.00 C ATOM 1178 C SER A 74 -7.794 7.720 1.879 1.00 0.00 C ATOM 1179 O SER A 74 -6.993 6.935 2.364 1.00 0.00 O ATOM 1180 CB SER A 74 -10.216 8.343 1.981 1.00 0.00 C ATOM 1181 OG SER A 74 -10.082 8.562 3.362 1.00 0.00 O ATOM 0 H SER A 74 -9.000 5.766 2.936 1.00 0.00 H new ATOM 0 HA SER A 74 -9.267 7.222 0.415 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.064 9.279 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.229 8.007 1.757 1.00 0.00 H new ATOM 0 HG SER A 74 -10.866 8.203 3.828 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.560 9.018 1.624 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.254 9.574 1.924 1.00 0.00 C ATOM 1189 C ILE A 75 -6.406 11.080 2.140 1.00 0.00 C ATOM 1190 O ILE A 75 -7.155 11.753 1.442 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.317 9.315 0.744 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.428 7.869 0.261 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -3.867 9.635 1.111 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.362 7.553 -0.792 1.00 0.00 C ATOM 0 H ILE A 75 -8.236 9.671 1.227 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.840 9.111 2.820 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.623 9.976 -0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.319 7.191 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.419 7.698 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.223 9.441 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.787 10.684 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.556 9.008 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.466 6.518 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.488 8.216 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.371 7.700 -0.362 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.657 11.581 3.148 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.664 12.992 3.476 1.00 0.00 C ATOM 1208 C PRO A 76 -5.407 13.848 2.239 1.00 0.00 C ATOM 1209 O PRO A 76 -6.231 14.647 1.814 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.540 13.179 4.498 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.022 11.777 4.862 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.770 10.781 3.972 1.00 0.00 C ATOM 0 HA PRO A 76 -6.632 13.302 3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.739 13.790 4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.907 13.696 5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.946 11.708 4.699 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.199 11.562 5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.076 10.207 3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.332 10.065 4.572 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.202 13.614 1.703 1.00 0.00 N ATOM 1221 CA GLU A 77 -3.811 14.342 0.507 1.00 0.00 C ATOM 1222 C GLU A 77 -4.077 13.494 -0.749 1.00 0.00 C ATOM 1223 O GLU A 77 -4.345 14.012 -1.826 1.00 0.00 O ATOM 1224 CB GLU A 77 -2.332 14.703 0.605 1.00 0.00 C ATOM 1225 CG GLU A 77 -2.074 15.716 1.719 1.00 0.00 C ATOM 1226 CD GLU A 77 -0.572 15.809 1.994 1.00 0.00 C ATOM 1227 OE1 GLU A 77 0.020 14.794 2.355 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -0.013 16.894 1.844 1.00 0.00 O ATOM 0 H GLU A 77 -3.513 12.955 2.065 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.402 15.255 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.748 13.801 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.993 15.113 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.462 16.693 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.601 15.417 2.625 1.00 0.00 H new ATOM 1235 N GLY A 78 -3.978 12.164 -0.536 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.204 11.253 -1.647 1.00 0.00 C ATOM 1237 C GLY A 78 -5.551 11.519 -2.332 1.00 0.00 C ATOM 1238 O GLY A 78 -5.779 12.566 -2.924 1.00 0.00 O ATOM 0 H GLY A 78 -3.753 11.725 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.399 11.358 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.176 10.225 -1.286 1.00 0.00 H new ATOM 1242 N LYS A 79 -6.421 10.493 -2.211 1.00 0.00 N ATOM 1243 CA LYS A 79 -7.733 10.616 -2.825 1.00 0.00 C ATOM 1244 C LYS A 79 -8.805 9.990 -1.928 1.00 0.00 C ATOM 1245 O LYS A 79 -8.782 10.088 -0.707 1.00 0.00 O ATOM 1246 CB LYS A 79 -7.713 9.916 -4.181 1.00 0.00 C ATOM 1247 CG LYS A 79 -8.852 10.392 -5.080 1.00 0.00 C ATOM 1248 CD LYS A 79 -8.344 11.341 -6.164 1.00 0.00 C ATOM 1249 CE LYS A 79 -9.478 11.803 -7.079 1.00 0.00 C ATOM 1250 NZ LYS A 79 -9.021 12.730 -8.107 1.00 0.00 N ATOM 0 H LYS A 79 -6.241 9.619 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.972 11.671 -2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.759 10.103 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.790 8.839 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.336 9.532 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.608 10.896 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.874 12.208 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.577 10.842 -6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.934 10.935 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.252 12.282 -6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.826 13.014 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.609 13.572 -7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.301 12.266 -8.698 1.00 0.00 H new ATOM 1264 N LYS A 80 -9.735 9.342 -2.647 1.00 0.00 N ATOM 1265 CA LYS A 80 -10.846 8.681 -1.973 1.00 0.00 C ATOM 1266 C LYS A 80 -11.215 7.416 -2.753 1.00 0.00 C ATOM 1267 O LYS A 80 -11.363 7.434 -3.969 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.035 9.638 -1.904 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.255 8.985 -1.254 1.00 0.00 C ATOM 1270 CD LYS A 80 -13.018 8.698 0.228 1.00 0.00 C ATOM 1271 CE LYS A 80 -14.322 8.742 1.025 1.00 0.00 C ATOM 1272 NZ LYS A 80 -14.970 10.047 0.956 1.00 0.00 N ATOM 0 H LYS A 80 -9.736 9.266 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.564 8.403 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.754 10.526 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.293 9.969 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.120 9.639 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.490 8.055 -1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.555 7.717 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.318 9.429 0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.003 7.980 0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.117 8.495 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.504 10.216 1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.248 10.787 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.620 10.069 0.144 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.350 6.320 -1.978 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.672 5.066 -2.616 1.00 0.00 C ATOM 1288 C PHE A 81 -12.566 4.200 -1.729 1.00 0.00 C ATOM 1289 O PHE A 81 -12.835 4.501 -0.571 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.374 4.343 -2.883 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.641 4.974 -4.023 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.042 4.721 -5.356 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.553 5.844 -3.778 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.363 5.331 -6.433 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -7.873 6.454 -4.854 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.277 6.198 -6.183 1.00 0.00 C ATOM 0 H PHE A 81 -11.244 6.292 -0.964 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.216 5.259 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.751 4.362 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.575 3.296 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.872 4.058 -5.551 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.241 6.042 -2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.674 5.134 -7.448 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.043 7.117 -4.661 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.756 6.664 -7.006 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.977 3.085 -2.364 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.837 2.149 -1.664 1.00 0.00 C ATOM 1308 C ASP A 82 -12.982 1.155 -0.877 1.00 0.00 C ATOM 1309 O ASP A 82 -13.123 1.003 0.331 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.719 1.417 -2.672 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.693 0.495 -1.936 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -16.564 1.003 -1.231 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.571 -0.721 -2.076 1.00 0.00 O ATOM 0 H ASP A 82 -12.733 2.829 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.476 2.688 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.271 2.137 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.100 0.836 -3.356 1.00 0.00 H new ATOM 1318 N THR A 83 -12.089 0.488 -1.638 1.00 0.00 N ATOM 1319 CA THR A 83 -11.225 -0.472 -0.998 1.00 0.00 C ATOM 1320 C THR A 83 -9.829 -0.312 -1.575 1.00 0.00 C ATOM 1321 O THR A 83 -9.607 0.405 -2.543 1.00 0.00 O ATOM 1322 CB THR A 83 -11.752 -1.886 -1.237 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.964 -2.078 -2.615 1.00 0.00 O ATOM 1324 CG2 THR A 83 -13.053 -2.143 -0.478 1.00 0.00 C ATOM 0 H THR A 83 -11.964 0.600 -2.644 1.00 0.00 H new ATOM 0 HA THR A 83 -11.197 -0.303 0.078 1.00 0.00 H new ATOM 0 HB THR A 83 -11.007 -2.590 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.300 -2.985 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.394 -3.159 -0.675 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.881 -2.018 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.813 -1.435 -0.808 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.911 -1.023 -0.919 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.551 -0.967 -1.350 1.00 0.00 C ATOM 1334 C LEU A 84 -7.368 -1.524 -2.759 1.00 0.00 C ATOM 1335 O LEU A 84 -6.287 -1.490 -3.328 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.780 -1.810 -0.366 1.00 0.00 C ATOM 1337 CG LEU A 84 -6.081 -0.976 0.697 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -5.253 -1.881 1.605 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -5.202 0.088 0.050 1.00 0.00 C ATOM 0 H LEU A 84 -9.094 -1.621 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.206 0.067 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.460 -2.512 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.039 -2.403 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.835 -0.470 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.755 -1.278 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.907 -2.606 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.505 -2.406 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.710 0.675 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.449 -0.393 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.818 0.744 -0.565 1.00 0.00 H new ATOM 1351 N TRP A 85 -8.485 -2.023 -3.274 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.450 -2.588 -4.610 1.00 0.00 C ATOM 1353 C TRP A 85 -8.670 -1.496 -5.631 1.00 0.00 C ATOM 1354 O TRP A 85 -8.181 -1.542 -6.753 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.565 -3.614 -4.731 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.983 -4.970 -5.046 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -8.219 -5.276 -6.170 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -9.103 -6.164 -4.273 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.863 -6.595 -6.129 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -8.387 -7.184 -4.973 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -9.742 -6.449 -3.073 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -8.322 -8.474 -4.463 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -9.681 -7.763 -2.543 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -8.970 -8.777 -3.239 1.00 0.00 C ATOM 0 H TRP A 85 -9.391 -2.048 -2.806 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.482 -3.056 -4.787 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -10.132 -3.659 -3.801 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -10.261 -3.316 -5.515 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.950 -4.580 -6.951 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.302 -7.076 -6.832 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.282 -5.675 -2.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -7.781 -9.242 -4.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.175 -7.993 -1.610 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -8.923 -9.778 -2.836 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.437 -0.515 -5.160 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.740 0.583 -6.045 1.00 0.00 C ATOM 1377 C GLN A 86 -8.684 1.652 -5.902 1.00 0.00 C ATOM 1378 O GLN A 86 -8.219 2.226 -6.867 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.131 1.132 -5.741 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.150 0.005 -5.580 1.00 0.00 C ATOM 1381 CD GLN A 86 -13.536 0.493 -6.007 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -14.098 1.423 -5.442 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -14.039 -0.199 -7.044 1.00 0.00 N ATOM 0 H GLN A 86 -9.836 -0.463 -4.223 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.738 0.234 -7.078 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.098 1.728 -4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.445 1.797 -6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.855 -0.853 -6.184 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.176 -0.329 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.502 -0.962 -7.457 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.958 0.039 -7.418 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.321 1.873 -4.646 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.305 2.869 -4.426 1.00 0.00 C ATOM 1394 C LEU A 87 -5.987 2.417 -5.043 1.00 0.00 C ATOM 1395 O LEU A 87 -5.184 3.230 -5.473 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.159 3.106 -2.924 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.006 4.050 -2.586 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.103 4.491 -1.126 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.660 3.368 -2.838 1.00 0.00 C ATOM 0 H LEU A 87 -8.691 1.406 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.591 3.806 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.089 3.520 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.000 2.151 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.076 4.927 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.277 5.164 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.049 5.008 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.052 3.616 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.852 4.056 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.581 2.477 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.587 3.084 -3.888 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.821 1.082 -5.092 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.604 0.584 -5.639 1.00 0.00 C ATOM 1413 C VAL A 88 -4.694 0.503 -7.143 1.00 0.00 C ATOM 1414 O VAL A 88 -3.777 0.875 -7.847 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.335 -0.793 -5.099 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.288 -1.443 -5.972 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.881 -0.723 -3.645 1.00 0.00 C ATOM 0 H VAL A 88 -6.491 0.383 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.798 1.263 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.247 -1.390 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.075 -2.445 -5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.656 -1.507 -6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.376 -0.847 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.692 -1.730 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.967 -0.134 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.660 -0.255 -3.043 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.829 -0.047 -7.594 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.953 -0.176 -9.029 1.00 0.00 C ATOM 1429 C GLU A 89 -5.958 1.197 -9.661 1.00 0.00 C ATOM 1430 O GLU A 89 -5.324 1.449 -10.679 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.211 -0.926 -9.376 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.461 -0.180 -8.960 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.089 0.512 -10.172 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -9.701 -0.174 -10.988 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -8.959 1.730 -10.284 1.00 0.00 O ATOM 0 H GLU A 89 -6.610 -0.382 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.104 -0.739 -9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.239 -1.105 -10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.195 -1.902 -8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.176 -0.872 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.216 0.558 -8.197 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.713 2.067 -8.988 1.00 0.00 N ATOM 1443 CA HIS A 90 -6.789 3.416 -9.507 1.00 0.00 C ATOM 1444 C HIS A 90 -5.401 3.973 -9.618 1.00 0.00 C ATOM 1445 O HIS A 90 -4.948 4.414 -10.658 1.00 0.00 O ATOM 1446 CB HIS A 90 -7.605 4.301 -8.584 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.088 5.509 -9.350 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.295 5.592 -9.950 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -7.402 6.716 -9.575 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -9.351 6.806 -10.523 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -8.221 7.504 -10.311 1.00 0.00 N ATOM 0 H HIS A 90 -7.245 1.874 -8.139 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.271 3.391 -10.484 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.454 3.746 -8.185 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.000 4.614 -7.733 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -6.411 6.967 -9.227 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.197 7.175 -11.083 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.019 8.448 -10.642 1.00 0.00 H new ATOM 1459 N TYR A 91 -4.782 3.937 -8.455 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.429 4.435 -8.380 1.00 0.00 C ATOM 1461 C TYR A 91 -2.530 3.651 -9.332 1.00 0.00 C ATOM 1462 O TYR A 91 -1.502 4.140 -9.785 1.00 0.00 O ATOM 1463 CB TYR A 91 -2.927 4.355 -6.953 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.306 5.602 -6.198 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -4.506 6.287 -6.518 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.477 6.113 -5.170 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -4.873 7.455 -5.822 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -2.847 7.289 -4.474 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.044 7.956 -4.799 1.00 0.00 C ATOM 1470 OH TYR A 91 -4.403 9.101 -4.118 1.00 0.00 O ATOM 0 H TYR A 91 -5.176 3.583 -7.583 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.410 5.481 -8.686 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.350 3.480 -6.460 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.844 4.232 -6.947 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.144 5.909 -7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.559 5.604 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.790 7.967 -6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.210 7.675 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.722 9.308 -3.445 1.00 0.00 H new ATOM 1480 N SER A 92 -2.971 2.407 -9.615 1.00 0.00 N ATOM 1481 CA SER A 92 -2.195 1.620 -10.555 1.00 0.00 C ATOM 1482 C SER A 92 -2.153 2.351 -11.901 1.00 0.00 C ATOM 1483 O SER A 92 -1.356 2.056 -12.785 1.00 0.00 O ATOM 1484 CB SER A 92 -2.872 0.282 -10.720 1.00 0.00 C ATOM 1485 OG SER A 92 -1.936 -0.766 -10.729 1.00 0.00 O ATOM 0 H SER A 92 -3.804 1.962 -9.229 1.00 0.00 H new ATOM 0 HA SER A 92 -1.177 1.479 -10.193 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.584 0.130 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.441 0.272 -11.650 1.00 0.00 H new ATOM 0 HG SER A 92 -2.403 -1.621 -10.835 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.077 3.323 -11.974 1.00 0.00 N ATOM 1492 CA TYR A 93 -3.197 4.114 -13.173 1.00 0.00 C ATOM 1493 C TYR A 93 -2.278 5.309 -13.065 1.00 0.00 C ATOM 1494 O TYR A 93 -1.417 5.556 -13.896 1.00 0.00 O ATOM 1495 CB TYR A 93 -4.628 4.624 -13.292 1.00 0.00 C ATOM 1496 CG TYR A 93 -5.645 3.519 -13.221 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.267 2.169 -13.430 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -6.996 3.824 -12.938 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.232 1.138 -13.358 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -7.962 2.794 -12.866 1.00 0.00 C ATOM 1501 CZ TYR A 93 -7.579 1.451 -13.076 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.522 0.445 -13.007 1.00 0.00 O ATOM 0 H TYR A 93 -3.729 3.563 -11.228 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.936 3.508 -14.041 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.821 5.342 -12.495 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -4.742 5.157 -14.236 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.237 1.927 -13.645 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.292 4.850 -12.776 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.938 0.111 -13.519 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.993 3.034 -12.650 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.322 0.777 -12.548 1.00 0.00 H new ATOM 1512 N LYS A 94 -2.595 6.054 -11.998 1.00 0.00 N ATOM 1513 CA LYS A 94 -1.862 7.244 -11.700 1.00 0.00 C ATOM 1514 C LYS A 94 -1.463 7.305 -10.241 1.00 0.00 C ATOM 1515 O LYS A 94 -1.702 6.415 -9.438 1.00 0.00 O ATOM 1516 CB LYS A 94 -2.786 8.401 -11.955 1.00 0.00 C ATOM 1517 CG LYS A 94 -4.140 8.183 -11.260 1.00 0.00 C ATOM 1518 CD LYS A 94 -5.152 9.260 -11.647 1.00 0.00 C ATOM 1519 CE LYS A 94 -5.834 8.933 -12.977 1.00 0.00 C ATOM 1520 NZ LYS A 94 -6.787 9.960 -13.380 1.00 0.00 N ATOM 0 H LYS A 94 -3.349 5.839 -11.346 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.960 7.267 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.330 9.323 -11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.938 8.521 -13.028 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.532 7.202 -11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.999 8.187 -10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.904 9.353 -10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.649 10.224 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.076 8.820 -13.752 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.349 7.976 -12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.222 9.693 -14.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.526 10.052 -12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.293 10.869 -13.488 1.00 0.00 H new ATOM 1534 N ALA A 95 -0.831 8.446 -9.990 1.00 0.00 N ATOM 1535 CA ALA A 95 -0.405 8.749 -8.638 1.00 0.00 C ATOM 1536 C ALA A 95 -1.606 9.311 -7.865 1.00 0.00 C ATOM 1537 O ALA A 95 -1.879 8.936 -6.731 1.00 0.00 O ATOM 1538 CB ALA A 95 0.730 9.770 -8.678 1.00 0.00 C ATOM 0 H ALA A 95 -0.609 9.157 -10.687 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.042 7.849 -8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.050 9.998 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.569 9.359 -9.239 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.382 10.683 -9.162 1.00 0.00 H new ATOM 1544 N ASP A 96 -2.298 10.235 -8.568 1.00 0.00 N ATOM 1545 CA ASP A 96 -3.478 10.856 -7.961 1.00 0.00 C ATOM 1546 C ASP A 96 -3.101 11.798 -6.820 1.00 0.00 C ATOM 1547 O ASP A 96 -3.917 12.540 -6.287 1.00 0.00 O ATOM 1548 CB ASP A 96 -4.393 9.770 -7.451 1.00 0.00 C ATOM 1549 CG ASP A 96 -5.777 9.889 -8.098 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -6.116 10.971 -8.573 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.502 8.896 -8.114 1.00 0.00 O ATOM 0 H ASP A 96 -2.069 10.551 -9.511 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.983 11.452 -8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.965 8.792 -7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.484 9.842 -6.367 1.00 0.00 H new ATOM 1556 N GLY A 97 -1.822 11.705 -6.498 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.294 12.524 -5.428 1.00 0.00 C ATOM 1558 C GLY A 97 0.088 12.033 -4.991 1.00 0.00 C ATOM 1559 O GLY A 97 0.924 12.798 -4.524 1.00 0.00 O ATOM 0 H GLY A 97 -1.148 11.087 -6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.228 13.561 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.977 12.503 -4.578 1.00 0.00 H new ATOM 1563 N LEU A 98 0.272 10.708 -5.174 1.00 0.00 N ATOM 1564 CA LEU A 98 1.543 10.133 -4.799 1.00 0.00 C ATOM 1565 C LEU A 98 2.642 10.988 -5.416 1.00 0.00 C ATOM 1566 O LEU A 98 2.377 11.932 -6.151 1.00 0.00 O ATOM 1567 CB LEU A 98 1.649 8.725 -5.367 1.00 0.00 C ATOM 1568 CG LEU A 98 0.455 7.866 -4.993 1.00 0.00 C ATOM 1569 CD1 LEU A 98 0.382 6.651 -5.901 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.560 7.433 -3.536 1.00 0.00 C ATOM 0 H LEU A 98 -0.415 10.060 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 98 1.636 10.097 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.731 8.778 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.562 8.255 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.456 8.451 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.478 6.041 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.278 6.976 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.293 6.062 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.301 6.817 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.474 6.857 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.582 8.314 -2.895 1.00 0.00 H new ATOM 1582 N LEU A 99 3.884 10.609 -5.086 1.00 0.00 N ATOM 1583 CA LEU A 99 4.976 11.318 -5.686 1.00 0.00 C ATOM 1584 C LEU A 99 4.967 10.989 -7.188 1.00 0.00 C ATOM 1585 O LEU A 99 5.199 11.835 -8.043 1.00 0.00 O ATOM 1586 CB LEU A 99 6.276 10.866 -5.028 1.00 0.00 C ATOM 1587 CG LEU A 99 7.169 12.042 -4.643 1.00 0.00 C ATOM 1588 CD1 LEU A 99 8.643 11.651 -4.742 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.874 13.236 -5.540 1.00 0.00 C ATOM 0 H LEU A 99 4.131 9.857 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 99 4.885 12.396 -5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.046 10.281 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.817 10.210 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 99 6.958 12.318 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.265 12.502 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.845 10.819 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.872 11.353 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.516 14.070 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.065 12.967 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.830 13.527 -5.427 1.00 0.00 H new ATOM 1601 N ARG A 100 4.675 9.689 -7.429 1.00 0.00 N ATOM 1602 CA ARG A 100 4.592 9.208 -8.791 1.00 0.00 C ATOM 1603 C ARG A 100 3.654 7.993 -8.822 1.00 0.00 C ATOM 1604 O ARG A 100 3.431 7.327 -7.818 1.00 0.00 O ATOM 1605 CB ARG A 100 5.980 8.819 -9.270 1.00 0.00 C ATOM 1606 CG ARG A 100 6.053 8.743 -10.796 1.00 0.00 C ATOM 1607 CD ARG A 100 5.797 10.108 -11.435 1.00 0.00 C ATOM 1608 NE ARG A 100 6.383 10.161 -12.762 1.00 0.00 N ATOM 1609 CZ ARG A 100 7.684 10.491 -12.880 1.00 0.00 C ATOM 1610 NH1 ARG A 100 8.406 10.758 -11.794 1.00 0.00 N ATOM 1611 NH2 ARG A 100 8.248 10.550 -14.083 1.00 0.00 N ATOM 0 H ARG A 100 4.501 8.988 -6.709 1.00 0.00 H new ATOM 0 HA ARG A 100 4.201 9.984 -9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.707 9.546 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.254 7.854 -8.844 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.035 8.377 -11.097 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.319 8.025 -11.162 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.725 10.293 -11.496 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.221 10.895 -10.811 1.00 0.00 H new ATOM 0 HE ARG A 100 5.822 9.953 -13.588 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.974 10.713 -10.871 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.391 11.008 -11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.696 10.345 -14.916 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.233 10.800 -14.173 1.00 0.00 H new ATOM 1625 N VAL A 101 3.126 7.757 -10.035 1.00 0.00 N ATOM 1626 CA VAL A 101 2.225 6.646 -10.215 1.00 0.00 C ATOM 1627 C VAL A 101 2.867 5.344 -9.721 1.00 0.00 C ATOM 1628 O VAL A 101 4.011 5.303 -9.283 1.00 0.00 O ATOM 1629 CB VAL A 101 1.954 6.516 -11.698 1.00 0.00 C ATOM 1630 CG1 VAL A 101 0.750 5.643 -11.929 1.00 0.00 C ATOM 1631 CG2 VAL A 101 1.747 7.890 -12.342 1.00 0.00 C ATOM 0 H VAL A 101 3.310 8.311 -10.871 1.00 0.00 H new ATOM 0 HA VAL A 101 1.309 6.820 -9.650 1.00 0.00 H new ATOM 0 HB VAL A 101 2.823 6.053 -12.165 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.564 5.556 -12.999 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.933 4.653 -11.511 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.120 6.087 -11.444 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.554 7.767 -13.408 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.897 8.387 -11.874 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.643 8.496 -12.203 1.00 0.00 H new ATOM 1641 N LEU A 102 2.035 4.291 -9.836 1.00 0.00 N ATOM 1642 CA LEU A 102 2.490 2.958 -9.477 1.00 0.00 C ATOM 1643 C LEU A 102 2.703 2.197 -10.768 1.00 0.00 C ATOM 1644 O LEU A 102 2.194 2.552 -11.824 1.00 0.00 O ATOM 1645 CB LEU A 102 1.440 2.242 -8.647 1.00 0.00 C ATOM 1646 CG LEU A 102 1.398 2.708 -7.189 1.00 0.00 C ATOM 1647 CD1 LEU A 102 1.541 4.223 -7.066 1.00 0.00 C ATOM 1648 CD2 LEU A 102 0.092 2.256 -6.547 1.00 0.00 C ATOM 0 H LEU A 102 1.072 4.345 -10.167 1.00 0.00 H new ATOM 0 HA LEU A 102 3.407 3.019 -8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.461 2.398 -9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.635 1.170 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 102 2.245 2.258 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.506 4.508 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.494 4.535 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.726 4.710 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.063 2.588 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.749 2.688 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.027 1.169 -6.582 1.00 0.00 H new ATOM 1660 N THR A 103 3.488 1.137 -10.615 1.00 0.00 N ATOM 1661 CA THR A 103 3.790 0.351 -11.783 1.00 0.00 C ATOM 1662 C THR A 103 4.077 -1.108 -11.409 1.00 0.00 C ATOM 1663 O THR A 103 3.733 -2.036 -12.131 1.00 0.00 O ATOM 1664 CB THR A 103 4.997 1.007 -12.452 1.00 0.00 C ATOM 1665 OG1 THR A 103 4.620 1.526 -13.702 1.00 0.00 O ATOM 1666 CG2 THR A 103 6.163 0.053 -12.624 1.00 0.00 C ATOM 0 H THR A 103 3.904 0.821 -9.739 1.00 0.00 H new ATOM 0 HA THR A 103 2.941 0.325 -12.466 1.00 0.00 H new ATOM 0 HB THR A 103 5.334 1.809 -11.794 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.395 1.948 -14.128 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.991 0.574 -13.104 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.481 -0.312 -11.648 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.856 -0.789 -13.244 1.00 0.00 H new ATOM 1674 N VAL A 104 4.729 -1.245 -10.240 1.00 0.00 N ATOM 1675 CA VAL A 104 5.100 -2.606 -9.818 1.00 0.00 C ATOM 1676 C VAL A 104 4.883 -2.840 -8.322 1.00 0.00 C ATOM 1677 O VAL A 104 5.022 -1.945 -7.512 1.00 0.00 O ATOM 1678 CB VAL A 104 6.591 -2.797 -10.098 1.00 0.00 C ATOM 1679 CG1 VAL A 104 7.075 -4.176 -9.650 1.00 0.00 C ATOM 1680 CG2 VAL A 104 6.903 -2.615 -11.581 1.00 0.00 C ATOM 0 H VAL A 104 4.995 -0.488 -9.610 1.00 0.00 H new ATOM 0 HA VAL A 104 4.471 -3.306 -10.368 1.00 0.00 H new ATOM 0 HB VAL A 104 7.117 -2.034 -9.524 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.139 -4.276 -9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.909 -4.290 -8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.523 -4.947 -10.187 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.971 -2.757 -11.748 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.344 -3.348 -12.163 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.617 -1.610 -11.892 1.00 0.00 H new ATOM 1690 N PRO A 105 4.521 -4.118 -8.003 1.00 0.00 N ATOM 1691 CA PRO A 105 4.379 -4.571 -6.625 1.00 0.00 C ATOM 1692 C PRO A 105 5.770 -4.704 -5.991 1.00 0.00 C ATOM 1693 O PRO A 105 6.732 -5.069 -6.653 1.00 0.00 O ATOM 1694 CB PRO A 105 3.715 -5.947 -6.702 1.00 0.00 C ATOM 1695 CG PRO A 105 3.583 -6.301 -8.192 1.00 0.00 C ATOM 1696 CD PRO A 105 4.121 -5.108 -8.989 1.00 0.00 C ATOM 0 HA PRO A 105 3.792 -3.876 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.314 -6.694 -6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.737 -5.930 -6.222 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.146 -7.205 -8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.543 -6.499 -8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.966 -5.403 -9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.358 -4.708 -9.657 1.00 0.00 H new ATOM 1704 N CYS A 106 5.833 -4.405 -4.686 1.00 0.00 N ATOM 1705 CA CYS A 106 7.148 -4.465 -4.065 1.00 0.00 C ATOM 1706 C CYS A 106 7.516 -5.867 -3.631 1.00 0.00 C ATOM 1707 O CYS A 106 8.596 -6.363 -3.927 1.00 0.00 O ATOM 1708 CB CYS A 106 7.203 -3.565 -2.854 1.00 0.00 C ATOM 1709 SG CYS A 106 8.901 -3.227 -2.343 1.00 0.00 S ATOM 0 H CYS A 106 5.052 -4.140 -4.085 1.00 0.00 H new ATOM 0 HA CYS A 106 7.860 -4.135 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.697 -2.626 -3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 106 6.662 -4.031 -2.030 1.00 0.00 H new ATOM 0 HG CYS A 106 8.943 -3.071 -1.053 1.00 0.00 H new ATOM 1715 N GLN A 107 6.567 -6.459 -2.891 1.00 0.00 N ATOM 1716 CA GLN A 107 6.821 -7.766 -2.364 1.00 0.00 C ATOM 1717 C GLN A 107 7.615 -8.615 -3.326 1.00 0.00 C ATOM 1718 O GLN A 107 7.698 -8.390 -4.527 1.00 0.00 O ATOM 1719 CB GLN A 107 5.525 -8.434 -2.011 1.00 0.00 C ATOM 1720 CG GLN A 107 5.610 -9.085 -0.638 1.00 0.00 C ATOM 1721 CD GLN A 107 6.416 -10.383 -0.705 1.00 0.00 C ATOM 1722 OE1 GLN A 107 6.334 -11.147 -1.659 1.00 0.00 O ATOM 1723 NE2 GLN A 107 7.198 -10.571 0.373 1.00 0.00 N ATOM 0 H GLN A 107 5.658 -6.057 -2.662 1.00 0.00 H new ATOM 0 HA GLN A 107 7.424 -7.655 -1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.718 -7.701 -2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.282 -9.187 -2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.076 -8.398 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.607 -9.293 -0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.205 -9.881 1.124 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.784 -11.403 0.439 1.00 0.00 H new ATOM 1857 N GLU B 3 4.772 9.559 4.348 1.00 0.00 N ATOM 1858 CA GLU B 3 4.966 10.601 3.368 1.00 0.00 C ATOM 1859 C GLU B 3 3.634 11.292 3.120 1.00 0.00 C ATOM 1860 O GLU B 3 2.580 10.821 3.529 1.00 0.00 O ATOM 1861 CB GLU B 3 5.524 9.999 2.104 1.00 0.00 C ATOM 1862 CG GLU B 3 6.888 9.382 2.364 1.00 0.00 C ATOM 1863 CD GLU B 3 7.677 10.202 3.388 1.00 0.00 C ATOM 1864 OE1 GLU B 3 7.927 11.378 3.130 1.00 0.00 O ATOM 1865 OE2 GLU B 3 8.031 9.654 4.430 1.00 0.00 O ATOM 0 HA GLU B 3 5.678 11.344 3.727 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.841 9.239 1.724 1.00 0.00 H new ATOM 0 HB3 GLU B 3 5.606 10.767 1.334 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.766 8.361 2.727 1.00 0.00 H new ATOM 0 HG3 GLU B 3 7.448 9.324 1.431 1.00 0.00 H new ATOM 1872 N THR B 4 3.745 12.436 2.429 1.00 0.00 N ATOM 1873 CA THR B 4 2.531 13.172 2.157 1.00 0.00 C ATOM 1874 C THR B 4 2.083 12.929 0.730 1.00 0.00 C ATOM 1875 O THR B 4 2.661 13.399 -0.242 1.00 0.00 O ATOM 1876 CB THR B 4 2.750 14.652 2.426 1.00 0.00 C ATOM 1877 OG1 THR B 4 4.091 14.990 2.154 1.00 0.00 O ATOM 1878 CG2 THR B 4 2.415 15.018 3.870 1.00 0.00 C ATOM 0 H THR B 4 4.611 12.842 2.073 1.00 0.00 H new ATOM 0 HA THR B 4 1.740 12.822 2.820 1.00 0.00 H new ATOM 0 HB THR B 4 2.082 15.213 1.772 1.00 0.00 H new ATOM 0 HG1 THR B 4 4.229 15.945 2.326 1.00 0.00 H new ATOM 0 HG21 THR B 4 2.584 16.084 4.024 1.00 0.00 H new ATOM 0 HG22 THR B 4 1.370 14.784 4.072 1.00 0.00 H new ATOM 0 HG23 THR B 4 3.052 14.448 4.547 1.00 0.00 H new ATOM 1886 N LEU B 5 1.002 12.145 0.706 1.00 0.00 N ATOM 1887 CA LEU B 5 0.417 11.766 -0.548 1.00 0.00 C ATOM 1888 C LEU B 5 -0.235 12.985 -1.201 1.00 0.00 C ATOM 1889 O LEU B 5 -1.451 13.130 -1.233 1.00 0.00 O ATOM 1890 CB LEU B 5 -0.605 10.678 -0.283 1.00 0.00 C ATOM 1891 CG LEU B 5 -0.447 9.580 -1.307 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.415 8.457 -1.052 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -0.680 10.149 -2.682 1.00 0.00 C ATOM 0 H LEU B 5 0.533 11.775 1.533 1.00 0.00 H new ATOM 0 HA LEU B 5 1.178 11.388 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.472 10.276 0.721 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.613 11.091 -0.330 1.00 0.00 H new ATOM 0 HG LEU B 5 0.564 9.179 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.278 7.681 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.234 8.038 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.435 8.837 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -0.567 9.360 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.688 10.561 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU B 5 0.046 10.938 -2.877 1.00 0.00 H new