USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=20 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 44:sc= -3.5! USER MOD Set 1.2: A 62 HIS : no HE2:sc= -10.5! C(o=-14!,f=-5.2!) USER MOD Set 2.1: A 33 SER OG : rot 86:sc= -6.11! USER MOD Set 2.2: A 106 CYS SG : rot 157:sc= -16! USER MOD Set 3.1: A 17 HIS : no HD1:sc= -2.47 K(o=-3.2,f=-2) USER MOD Set 3.2: A 107 GLN : amide:sc= -0.723 K(o=-3.2,f=-2) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.577 K(o=-0.58,f=-0.0048) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 36 ASN : amide:sc= -5.56! C(o=-5.6!,f=-6.9!) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -1.95 (180deg=-2.33) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-4.8!) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc=-0.00342 (180deg=-0.111) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -136:sc= 0.264 USER MOD Single : A 79 LYS NZ :NH3+ -120:sc= 0.634 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= 1.05 (180deg=0.77) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 86 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.15) USER MOD Single : A 90 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 91 TYR OH : rot -122:sc= -0.403 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 161:sc= -0.032 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 30:sc= 0.388 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.0214 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 1.732 -7.226 -3.766 1.00 0.00 N ATOM 210 CA TRP A 15 1.732 -5.883 -3.202 1.00 0.00 C ATOM 211 C TRP A 15 0.932 -5.836 -1.889 1.00 0.00 C ATOM 212 O TRP A 15 0.626 -4.767 -1.377 1.00 0.00 O ATOM 213 CB TRP A 15 1.178 -4.862 -4.209 1.00 0.00 C ATOM 214 CG TRP A 15 -0.073 -5.371 -4.899 1.00 0.00 C ATOM 215 CD1 TRP A 15 -0.139 -5.849 -6.208 1.00 0.00 C ATOM 216 CD2 TRP A 15 -1.398 -5.419 -4.365 1.00 0.00 C ATOM 217 NE1 TRP A 15 -1.430 -6.185 -6.504 1.00 0.00 N ATOM 218 CE2 TRP A 15 -2.243 -5.936 -5.395 1.00 0.00 C ATOM 219 CE3 TRP A 15 -1.927 -5.074 -3.129 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -3.604 -6.101 -5.173 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -3.315 -5.237 -2.892 1.00 0.00 C ATOM 222 CH2 TRP A 15 -4.155 -5.751 -3.915 1.00 0.00 C ATOM 0 HA TRP A 15 2.765 -5.616 -2.981 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.954 -3.928 -3.693 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.940 -4.639 -4.956 1.00 0.00 H new ATOM 0 HD1 TRP A 15 0.700 -5.939 -6.882 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.751 -6.560 -7.397 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.285 -4.684 -2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.238 -6.493 -5.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.734 -4.970 -1.933 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.213 -5.875 -3.735 1.00 0.00 H new ATOM 233 N PHE A 16 0.620 -7.044 -1.364 1.00 0.00 N ATOM 234 CA PHE A 16 -0.121 -7.065 -0.116 1.00 0.00 C ATOM 235 C PHE A 16 0.573 -7.983 0.886 1.00 0.00 C ATOM 236 O PHE A 16 0.223 -9.144 1.066 1.00 0.00 O ATOM 237 CB PHE A 16 -1.556 -7.512 -0.353 1.00 0.00 C ATOM 238 CG PHE A 16 -2.466 -6.959 0.714 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.060 -6.941 2.077 1.00 0.00 C ATOM 240 CD2 PHE A 16 -3.731 -6.421 0.369 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.902 -6.393 3.069 1.00 0.00 C ATOM 242 CE2 PHE A 16 -4.572 -5.874 1.365 1.00 0.00 C ATOM 243 CZ PHE A 16 -4.158 -5.860 2.714 1.00 0.00 C ATOM 0 H PHE A 16 0.858 -7.952 -1.764 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.146 -6.056 0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.890 -7.175 -1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.608 -8.601 -0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.100 -7.350 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.055 -6.429 -0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.584 -6.382 4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.534 -5.466 1.093 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.802 -5.442 3.473 1.00 0.00 H new ATOM 253 N HIS A 17 1.574 -7.363 1.519 1.00 0.00 N ATOM 254 CA HIS A 17 2.334 -8.072 2.537 1.00 0.00 C ATOM 255 C HIS A 17 2.410 -7.233 3.809 1.00 0.00 C ATOM 256 O HIS A 17 3.268 -7.436 4.638 1.00 0.00 O ATOM 257 CB HIS A 17 3.733 -8.278 2.018 1.00 0.00 C ATOM 258 CG HIS A 17 3.831 -9.631 1.358 1.00 0.00 C ATOM 259 ND1 HIS A 17 4.825 -10.517 1.587 1.00 0.00 N ATOM 260 CD2 HIS A 17 2.947 -10.194 0.426 1.00 0.00 C ATOM 261 CE1 HIS A 17 4.561 -11.589 0.822 1.00 0.00 C ATOM 262 NE2 HIS A 17 3.431 -11.419 0.111 1.00 0.00 N ATOM 0 H HIS A 17 1.866 -6.401 1.348 1.00 0.00 H new ATOM 0 HA HIS A 17 1.852 -9.024 2.760 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.986 -7.494 1.304 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.450 -8.208 2.836 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.050 -9.737 0.034 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.177 -12.475 0.782 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.018 -12.086 -0.541 1.00 0.00 H new ATOM 353 N GLU A 23 9.941 -0.713 7.733 1.00 0.00 N ATOM 354 CA GLU A 23 11.279 -0.657 7.222 1.00 0.00 C ATOM 355 C GLU A 23 11.487 -1.890 6.359 1.00 0.00 C ATOM 356 O GLU A 23 11.994 -1.843 5.247 1.00 0.00 O ATOM 357 CB GLU A 23 12.224 -0.660 8.420 1.00 0.00 C ATOM 358 CG GLU A 23 12.728 -2.052 8.794 1.00 0.00 C ATOM 359 CD GLU A 23 13.846 -1.938 9.832 1.00 0.00 C ATOM 360 OE1 GLU A 23 13.727 -1.110 10.734 1.00 0.00 O ATOM 361 OE2 GLU A 23 14.824 -2.677 9.725 1.00 0.00 O ATOM 0 HA GLU A 23 11.464 0.234 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.078 -0.020 8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.712 -0.225 9.278 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.909 -2.650 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.095 -2.566 7.906 1.00 0.00 H new ATOM 368 N GLU A 24 11.036 -2.989 6.979 1.00 0.00 N ATOM 369 CA GLU A 24 11.131 -4.273 6.319 1.00 0.00 C ATOM 370 C GLU A 24 10.573 -4.175 4.893 1.00 0.00 C ATOM 371 O GLU A 24 11.062 -4.807 3.965 1.00 0.00 O ATOM 372 CB GLU A 24 10.341 -5.285 7.137 1.00 0.00 C ATOM 373 CG GLU A 24 10.941 -5.465 8.531 1.00 0.00 C ATOM 374 CD GLU A 24 12.160 -6.387 8.456 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.701 -6.558 7.365 1.00 0.00 O ATOM 376 OE2 GLU A 24 12.553 -6.925 9.490 1.00 0.00 O ATOM 0 H GLU A 24 10.616 -3.005 7.908 1.00 0.00 H new ATOM 0 HA GLU A 24 12.172 -4.588 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.306 -4.956 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.328 -6.244 6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.230 -4.497 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.196 -5.886 9.206 1.00 0.00 H new ATOM 383 N SER A 25 9.529 -3.330 4.789 1.00 0.00 N ATOM 384 CA SER A 25 8.885 -3.157 3.496 1.00 0.00 C ATOM 385 C SER A 25 9.648 -2.154 2.617 1.00 0.00 C ATOM 386 O SER A 25 9.628 -2.233 1.395 1.00 0.00 O ATOM 387 CB SER A 25 7.456 -2.673 3.729 1.00 0.00 C ATOM 388 OG SER A 25 7.439 -1.301 4.034 1.00 0.00 O ATOM 0 H SER A 25 9.135 -2.783 5.555 1.00 0.00 H new ATOM 0 HA SER A 25 8.881 -4.111 2.970 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.854 -2.860 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.004 -3.237 4.545 1.00 0.00 H new ATOM 0 HG SER A 25 6.515 -1.009 4.178 1.00 0.00 H new ATOM 394 N GLU A 26 10.319 -1.214 3.311 1.00 0.00 N ATOM 395 CA GLU A 26 11.051 -0.201 2.591 1.00 0.00 C ATOM 396 C GLU A 26 12.397 -0.745 2.086 1.00 0.00 C ATOM 397 O GLU A 26 12.950 -0.269 1.101 1.00 0.00 O ATOM 398 CB GLU A 26 11.232 0.979 3.537 1.00 0.00 C ATOM 399 CG GLU A 26 12.628 1.571 3.444 1.00 0.00 C ATOM 400 CD GLU A 26 12.786 2.710 4.454 1.00 0.00 C ATOM 401 OE1 GLU A 26 12.311 2.566 5.579 1.00 0.00 O ATOM 402 OE2 GLU A 26 13.380 3.728 4.103 1.00 0.00 O ATOM 0 H GLU A 26 10.359 -1.149 4.328 1.00 0.00 H new ATOM 0 HA GLU A 26 10.504 0.115 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.495 1.748 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.042 0.656 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.372 0.798 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.807 1.942 2.435 1.00 0.00 H new ATOM 409 N GLN A 27 12.883 -1.766 2.814 1.00 0.00 N ATOM 410 CA GLN A 27 14.137 -2.374 2.393 1.00 0.00 C ATOM 411 C GLN A 27 13.804 -3.326 1.251 1.00 0.00 C ATOM 412 O GLN A 27 14.595 -3.586 0.358 1.00 0.00 O ATOM 413 CB GLN A 27 14.804 -3.114 3.552 1.00 0.00 C ATOM 414 CG GLN A 27 13.842 -4.081 4.238 1.00 0.00 C ATOM 415 CD GLN A 27 14.631 -5.195 4.932 1.00 0.00 C ATOM 416 OE1 GLN A 27 14.266 -6.364 4.898 1.00 0.00 O ATOM 417 NE2 GLN A 27 15.734 -4.748 5.558 1.00 0.00 N ATOM 0 H GLN A 27 12.450 -2.163 3.648 1.00 0.00 H new ATOM 0 HA GLN A 27 14.845 -1.613 2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.669 -3.664 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.173 -2.391 4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.233 -3.546 4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.159 -4.510 3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.965 -3.755 5.537 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.339 -5.402 6.054 1.00 0.00 H new ATOM 426 N ILE A 28 12.561 -3.821 1.351 1.00 0.00 N ATOM 427 CA ILE A 28 12.073 -4.687 0.335 1.00 0.00 C ATOM 428 C ILE A 28 11.980 -3.905 -0.954 1.00 0.00 C ATOM 429 O ILE A 28 12.351 -4.357 -2.031 1.00 0.00 O ATOM 430 CB ILE A 28 10.704 -5.156 0.800 1.00 0.00 C ATOM 431 CG1 ILE A 28 10.809 -6.514 1.454 1.00 0.00 C ATOM 432 CG2 ILE A 28 9.691 -5.191 -0.337 1.00 0.00 C ATOM 433 CD1 ILE A 28 9.667 -6.715 2.436 1.00 0.00 C ATOM 0 H ILE A 28 11.911 -3.628 2.113 1.00 0.00 H new ATOM 0 HA ILE A 28 12.722 -5.545 0.160 1.00 0.00 H new ATOM 0 HB ILE A 28 10.344 -4.432 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.785 -7.294 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.764 -6.603 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.728 -5.532 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.581 -4.191 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.037 -5.875 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.755 -7.697 2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.710 -5.945 3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.716 -6.647 1.907 1.00 0.00 H new ATOM 445 N VAL A 29 11.441 -2.706 -0.760 1.00 0.00 N ATOM 446 CA VAL A 29 11.315 -1.832 -1.894 1.00 0.00 C ATOM 447 C VAL A 29 12.690 -1.552 -2.475 1.00 0.00 C ATOM 448 O VAL A 29 12.855 -1.301 -3.663 1.00 0.00 O ATOM 449 CB VAL A 29 10.662 -0.537 -1.431 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.082 0.615 -2.330 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.142 -0.674 -1.394 1.00 0.00 C ATOM 0 H VAL A 29 11.103 -2.340 0.130 1.00 0.00 H new ATOM 0 HA VAL A 29 10.702 -2.296 -2.666 1.00 0.00 H new ATOM 0 HB VAL A 29 11.000 -0.324 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.608 1.535 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.165 0.729 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.774 0.408 -3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.700 0.265 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.774 -0.914 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.865 -1.471 -0.704 1.00 0.00 H new ATOM 461 N LEU A 30 13.659 -1.613 -1.562 1.00 0.00 N ATOM 462 CA LEU A 30 14.997 -1.390 -1.972 1.00 0.00 C ATOM 463 C LEU A 30 15.351 -2.458 -3.003 1.00 0.00 C ATOM 464 O LEU A 30 16.073 -2.228 -3.966 1.00 0.00 O ATOM 465 CB LEU A 30 15.839 -1.501 -0.707 1.00 0.00 C ATOM 466 CG LEU A 30 16.706 -2.749 -0.678 1.00 0.00 C ATOM 467 CD1 LEU A 30 17.988 -2.537 -1.465 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.022 -3.141 0.749 1.00 0.00 C ATOM 0 H LEU A 30 13.526 -1.810 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 30 15.164 -0.418 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.476 -0.621 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.181 -1.502 0.162 1.00 0.00 H new ATOM 0 HG LEU A 30 16.149 -3.560 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.591 -3.444 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.744 -2.304 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.550 -1.710 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.643 -4.036 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.556 -2.327 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.094 -3.342 1.285 1.00 0.00 H new ATOM 480 N ILE A 31 14.775 -3.646 -2.717 1.00 0.00 N ATOM 481 CA ILE A 31 15.003 -4.751 -3.591 1.00 0.00 C ATOM 482 C ILE A 31 14.343 -4.455 -4.907 1.00 0.00 C ATOM 483 O ILE A 31 14.962 -4.284 -5.950 1.00 0.00 O ATOM 484 CB ILE A 31 14.355 -6.021 -3.047 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.204 -6.032 -1.538 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.130 -7.211 -3.513 1.00 0.00 C ATOM 487 CD1 ILE A 31 15.327 -6.811 -0.852 1.00 0.00 C ATOM 0 H ILE A 31 14.176 -3.833 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 31 16.079 -4.897 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 31 13.339 -6.056 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.196 -5.007 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.243 -6.474 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 31 14.669 -8.120 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.131 -7.241 -4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.156 -7.142 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.177 -6.791 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.319 -7.844 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.287 -6.354 -1.093 1.00 0.00 H new ATOM 499 N GLY A 32 13.017 -4.415 -4.748 1.00 0.00 N ATOM 500 CA GLY A 32 12.191 -4.194 -5.898 1.00 0.00 C ATOM 501 C GLY A 32 11.659 -2.764 -5.946 1.00 0.00 C ATOM 502 O GLY A 32 11.171 -2.227 -4.962 1.00 0.00 O ATOM 0 H GLY A 32 12.524 -4.530 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.764 -4.399 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.355 -4.893 -5.885 1.00 0.00 H new ATOM 506 N SER A 33 11.802 -2.209 -7.167 1.00 0.00 N ATOM 507 CA SER A 33 11.354 -0.845 -7.418 1.00 0.00 C ATOM 508 C SER A 33 12.307 -0.229 -8.449 1.00 0.00 C ATOM 509 O SER A 33 12.759 -0.910 -9.361 1.00 0.00 O ATOM 510 CB SER A 33 11.316 -0.042 -6.115 1.00 0.00 C ATOM 511 OG SER A 33 10.126 -0.286 -5.419 1.00 0.00 O ATOM 0 H SER A 33 12.216 -2.680 -7.971 1.00 0.00 H new ATOM 0 HA SER A 33 10.338 -0.834 -7.812 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.169 -0.310 -5.492 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.403 1.022 -6.335 1.00 0.00 H new ATOM 0 HG SER A 33 10.229 -1.088 -4.866 1.00 0.00 H new ATOM 517 N LYS A 34 12.573 1.086 -8.264 1.00 0.00 N ATOM 518 CA LYS A 34 13.495 1.750 -9.186 1.00 0.00 C ATOM 519 C LYS A 34 12.772 2.223 -10.428 1.00 0.00 C ATOM 520 O LYS A 34 12.818 3.379 -10.830 1.00 0.00 O ATOM 521 CB LYS A 34 14.553 0.750 -9.625 1.00 0.00 C ATOM 522 CG LYS A 34 15.851 1.442 -9.998 1.00 0.00 C ATOM 523 CD LYS A 34 17.067 0.578 -9.664 1.00 0.00 C ATOM 524 CE LYS A 34 18.371 1.255 -10.087 1.00 0.00 C ATOM 525 NZ LYS A 34 19.537 0.413 -9.844 1.00 0.00 N ATOM 0 H LYS A 34 12.183 1.672 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 34 13.936 2.605 -8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.737 0.037 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.185 0.180 -10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.849 1.671 -11.064 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.923 2.392 -9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.090 0.380 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.978 -0.386 -10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.321 1.505 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.484 2.193 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.396 0.914 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.602 0.195 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.445 -0.472 -10.383 1.00 0.00 H new ATOM 539 N THR A 35 12.120 1.214 -10.997 1.00 0.00 N ATOM 540 CA THR A 35 11.391 1.399 -12.238 1.00 0.00 C ATOM 541 C THR A 35 10.341 2.516 -12.183 1.00 0.00 C ATOM 542 O THR A 35 9.614 2.760 -13.138 1.00 0.00 O ATOM 543 CB THR A 35 10.728 0.073 -12.568 1.00 0.00 C ATOM 544 OG1 THR A 35 11.267 -0.949 -11.761 1.00 0.00 O ATOM 545 CG2 THR A 35 10.917 -0.292 -14.027 1.00 0.00 C ATOM 0 H THR A 35 12.084 0.268 -10.618 1.00 0.00 H new ATOM 0 HA THR A 35 12.098 1.710 -13.008 1.00 0.00 H new ATOM 0 HB THR A 35 9.661 0.178 -12.373 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.833 -1.801 -11.978 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.430 -1.246 -14.229 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.475 0.481 -14.656 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.982 -0.374 -14.247 1.00 0.00 H new ATOM 553 N ASN A 36 10.314 3.164 -11.027 1.00 0.00 N ATOM 554 CA ASN A 36 9.370 4.249 -10.856 1.00 0.00 C ATOM 555 C ASN A 36 7.965 3.735 -11.137 1.00 0.00 C ATOM 556 O ASN A 36 7.534 3.600 -12.276 1.00 0.00 O ATOM 557 CB ASN A 36 9.729 5.392 -11.801 1.00 0.00 C ATOM 558 CG ASN A 36 8.687 6.507 -11.688 1.00 0.00 C ATOM 559 OD1 ASN A 36 8.286 7.120 -12.671 1.00 0.00 O ATOM 560 ND2 ASN A 36 8.283 6.723 -10.424 1.00 0.00 N ATOM 0 H ASN A 36 10.911 2.966 -10.224 1.00 0.00 H new ATOM 0 HA ASN A 36 9.410 4.624 -9.833 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.718 5.780 -11.557 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.774 5.027 -12.827 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.590 7.445 -10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.670 6.165 -9.663 1.00 0.00 H new ATOM 567 N GLY A 37 7.289 3.462 -10.014 1.00 0.00 N ATOM 568 CA GLY A 37 5.935 2.953 -10.117 1.00 0.00 C ATOM 569 C GLY A 37 5.752 1.661 -9.309 1.00 0.00 C ATOM 570 O GLY A 37 4.719 1.007 -9.384 1.00 0.00 O ATOM 0 H GLY A 37 7.646 3.581 -9.066 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.234 3.708 -9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.695 2.765 -11.164 1.00 0.00 H new ATOM 574 N LYS A 38 6.811 1.331 -8.536 1.00 0.00 N ATOM 575 CA LYS A 38 6.714 0.137 -7.741 1.00 0.00 C ATOM 576 C LYS A 38 6.060 0.517 -6.432 1.00 0.00 C ATOM 577 O LYS A 38 6.203 1.630 -5.944 1.00 0.00 O ATOM 578 CB LYS A 38 8.097 -0.432 -7.510 1.00 0.00 C ATOM 579 CG LYS A 38 8.050 -1.837 -6.920 1.00 0.00 C ATOM 580 CD LYS A 38 8.030 -2.910 -8.011 1.00 0.00 C ATOM 581 CE LYS A 38 9.003 -4.052 -7.707 1.00 0.00 C ATOM 582 NZ LYS A 38 8.981 -5.086 -8.734 1.00 0.00 N ATOM 0 H LYS A 38 7.684 1.854 -8.461 1.00 0.00 H new ATOM 0 HA LYS A 38 6.121 -0.626 -8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.641 -0.454 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.651 0.224 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.916 -1.990 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.164 -1.939 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.021 -3.310 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.288 -2.459 -8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.013 -3.652 -7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.750 -4.495 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.815 -5.698 -8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.118 -5.657 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.995 -4.642 -9.674 1.00 0.00 H new ATOM 596 N PHE A 39 5.339 -0.465 -5.896 1.00 0.00 N ATOM 597 CA PHE A 39 4.636 -0.157 -4.660 1.00 0.00 C ATOM 598 C PHE A 39 4.183 -1.412 -3.907 1.00 0.00 C ATOM 599 O PHE A 39 3.939 -2.467 -4.473 1.00 0.00 O ATOM 600 CB PHE A 39 3.434 0.730 -5.002 1.00 0.00 C ATOM 601 CG PHE A 39 2.267 -0.085 -5.486 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.211 -0.552 -6.822 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.226 -0.417 -4.592 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.122 -1.343 -7.255 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.138 -1.204 -5.022 1.00 0.00 C ATOM 606 CZ PHE A 39 0.084 -1.670 -6.354 1.00 0.00 C ATOM 0 H PHE A 39 5.230 -1.410 -6.264 1.00 0.00 H new ATOM 0 HA PHE A 39 5.322 0.363 -3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.140 1.301 -4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.719 1.450 -5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.003 -0.303 -7.513 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.263 -0.066 -3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.084 -1.697 -8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.655 -1.451 -4.332 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.748 -2.275 -6.683 1.00 0.00 H new ATOM 616 N LEU A 40 4.077 -1.186 -2.586 1.00 0.00 N ATOM 617 CA LEU A 40 3.607 -2.244 -1.707 1.00 0.00 C ATOM 618 C LEU A 40 2.769 -1.596 -0.603 1.00 0.00 C ATOM 619 O LEU A 40 3.260 -0.820 0.208 1.00 0.00 O ATOM 620 CB LEU A 40 4.786 -3.019 -1.108 1.00 0.00 C ATOM 621 CG LEU A 40 5.391 -2.289 0.091 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.596 -2.591 1.359 1.00 0.00 C ATOM 623 CD2 LEU A 40 6.853 -2.693 0.280 1.00 0.00 C ATOM 0 H LEU A 40 4.305 -0.305 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 40 3.005 -2.958 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.452 -4.010 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.552 -3.164 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 40 5.345 -1.217 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.041 -2.063 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.565 -2.263 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.613 -3.664 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.269 -2.164 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.914 -3.768 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.420 -2.436 -0.615 1.00 0.00 H new ATOM 635 N ILE A 41 1.475 -1.953 -0.635 1.00 0.00 N ATOM 636 CA ILE A 41 0.580 -1.398 0.367 1.00 0.00 C ATOM 637 C ILE A 41 0.761 -2.163 1.675 1.00 0.00 C ATOM 638 O ILE A 41 1.205 -3.305 1.702 1.00 0.00 O ATOM 639 CB ILE A 41 -0.860 -1.507 -0.125 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.846 -1.267 1.019 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.099 -2.877 -0.742 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.759 0.166 1.547 1.00 0.00 C ATOM 0 H ILE A 41 1.051 -2.590 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 41 0.811 -0.346 0.537 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.022 -0.741 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.860 -1.467 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.641 -1.967 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.130 -2.945 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.422 -3.020 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.917 -3.649 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.474 0.299 2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.751 0.357 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.989 0.865 0.743 1.00 0.00 H new ATOM 654 N ARG A 42 0.390 -1.452 2.750 1.00 0.00 N ATOM 655 CA ARG A 42 0.522 -2.060 4.059 1.00 0.00 C ATOM 656 C ARG A 42 -0.768 -1.867 4.855 1.00 0.00 C ATOM 657 O ARG A 42 -1.317 -0.776 4.949 1.00 0.00 O ATOM 658 CB ARG A 42 1.703 -1.426 4.788 1.00 0.00 C ATOM 659 CG ARG A 42 1.545 -1.515 6.307 1.00 0.00 C ATOM 660 CD ARG A 42 2.745 -0.906 7.031 1.00 0.00 C ATOM 661 NE ARG A 42 2.511 -0.879 8.463 1.00 0.00 N ATOM 662 CZ ARG A 42 2.652 -2.020 9.163 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.984 -3.148 8.541 1.00 0.00 N ATOM 664 NH2 ARG A 42 2.458 -2.020 10.478 1.00 0.00 N ATOM 0 H ARG A 42 0.016 -0.503 2.734 1.00 0.00 H new ATOM 0 HA ARG A 42 0.701 -3.130 3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.625 -1.924 4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.794 -0.381 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.635 -0.998 6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.432 -2.558 6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.642 -1.486 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.923 0.105 6.666 1.00 0.00 H new ATOM 0 HE ARG A 42 2.245 -0.012 8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.132 -3.149 7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.090 -4.012 9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.202 -1.156 10.956 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.565 -2.884 11.009 1.00 0.00 H new ATOM 678 N ALA A 43 -1.207 -3.009 5.418 1.00 0.00 N ATOM 679 CA ALA A 43 -2.424 -2.977 6.210 1.00 0.00 C ATOM 680 C ALA A 43 -2.117 -3.461 7.626 1.00 0.00 C ATOM 681 O ALA A 43 -1.249 -4.296 7.849 1.00 0.00 O ATOM 682 CB ALA A 43 -3.480 -3.866 5.558 1.00 0.00 C ATOM 0 H ALA A 43 -0.754 -3.919 5.339 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.808 -1.958 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.393 -3.842 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.692 -3.502 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.110 -4.890 5.503 1.00 0.00 H new ATOM 770 N TYR A 50 -3.956 2.019 7.742 1.00 0.00 N ATOM 771 CA TYR A 50 -3.049 1.460 6.750 1.00 0.00 C ATOM 772 C TYR A 50 -2.149 2.573 6.215 1.00 0.00 C ATOM 773 O TYR A 50 -2.287 3.738 6.567 1.00 0.00 O ATOM 774 CB TYR A 50 -3.851 0.838 5.600 1.00 0.00 C ATOM 775 CG TYR A 50 -4.911 -0.108 6.092 1.00 0.00 C ATOM 776 CD1 TYR A 50 -4.779 -0.751 7.347 1.00 0.00 C ATOM 777 CD2 TYR A 50 -6.060 -0.362 5.302 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.783 -1.635 7.806 1.00 0.00 C ATOM 779 CE2 TYR A 50 -7.064 -1.245 5.761 1.00 0.00 C ATOM 780 CZ TYR A 50 -6.925 -1.881 7.013 1.00 0.00 C ATOM 781 OH TYR A 50 -7.905 -2.743 7.462 1.00 0.00 O ATOM 0 HA TYR A 50 -2.437 0.684 7.210 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.317 1.630 5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.173 0.306 4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.907 -0.565 7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.169 0.122 4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.676 -2.122 8.764 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.937 -1.433 5.154 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.622 -2.799 6.796 1.00 0.00 H new ATOM 791 N ALA A 51 -1.221 2.136 5.344 1.00 0.00 N ATOM 792 CA ALA A 51 -0.319 3.110 4.753 1.00 0.00 C ATOM 793 C ALA A 51 0.351 2.511 3.518 1.00 0.00 C ATOM 794 O ALA A 51 0.905 1.419 3.538 1.00 0.00 O ATOM 795 CB ALA A 51 0.727 3.552 5.774 1.00 0.00 C ATOM 0 H ALA A 51 -1.087 1.168 5.053 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.890 3.988 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.396 4.282 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.230 4.003 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.303 2.687 6.102 1.00 0.00 H new ATOM 801 N LEU A 52 0.252 3.316 2.448 1.00 0.00 N ATOM 802 CA LEU A 52 0.842 2.901 1.185 1.00 0.00 C ATOM 803 C LEU A 52 2.355 3.141 1.216 1.00 0.00 C ATOM 804 O LEU A 52 2.837 4.190 1.624 1.00 0.00 O ATOM 805 CB LEU A 52 0.187 3.703 0.060 1.00 0.00 C ATOM 806 CG LEU A 52 1.116 3.896 -1.140 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.635 2.546 -1.640 1.00 0.00 C ATOM 808 CD2 LEU A 52 0.371 4.617 -2.261 1.00 0.00 C ATOM 0 H LEU A 52 -0.214 4.223 2.437 1.00 0.00 H new ATOM 0 HA LEU A 52 0.673 1.837 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.720 3.193 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.115 4.678 0.442 1.00 0.00 H new ATOM 0 HG LEU A 52 1.968 4.500 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.294 2.703 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.187 2.050 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.794 1.922 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.037 4.752 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.491 4.024 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.034 5.591 -1.906 1.00 0.00 H new ATOM 820 N CYS A 53 3.066 2.090 0.755 1.00 0.00 N ATOM 821 CA CYS A 53 4.518 2.183 0.736 1.00 0.00 C ATOM 822 C CYS A 53 5.032 1.803 -0.628 1.00 0.00 C ATOM 823 O CYS A 53 4.964 0.663 -1.052 1.00 0.00 O ATOM 824 CB CYS A 53 5.111 1.261 1.805 1.00 0.00 C ATOM 825 SG CYS A 53 4.229 1.344 3.385 1.00 0.00 S ATOM 0 H CYS A 53 2.672 1.215 0.410 1.00 0.00 H new ATOM 0 HA CYS A 53 4.819 3.208 0.953 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.094 0.234 1.440 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.156 1.526 1.965 1.00 0.00 H new ATOM 0 HG CYS A 53 2.947 1.341 3.167 1.00 0.00 H new ATOM 831 N LEU A 54 5.580 2.839 -1.270 1.00 0.00 N ATOM 832 CA LEU A 54 6.070 2.625 -2.592 1.00 0.00 C ATOM 833 C LEU A 54 7.396 3.363 -2.814 1.00 0.00 C ATOM 834 O LEU A 54 7.941 3.959 -1.898 1.00 0.00 O ATOM 835 CB LEU A 54 4.944 3.067 -3.510 1.00 0.00 C ATOM 836 CG LEU A 54 4.838 4.586 -3.797 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.411 5.054 -3.520 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.805 5.447 -2.973 1.00 0.00 C ATOM 0 H LEU A 54 5.683 3.784 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 54 6.319 1.583 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.057 2.548 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.001 2.736 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 54 5.111 4.717 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.333 6.122 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.719 4.512 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.161 4.862 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.668 6.497 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.603 5.306 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.831 5.150 -3.190 1.00 0.00 H new ATOM 850 N LEU A 55 7.891 3.293 -4.074 1.00 0.00 N ATOM 851 CA LEU A 55 9.145 3.982 -4.330 1.00 0.00 C ATOM 852 C LEU A 55 9.012 4.900 -5.538 1.00 0.00 C ATOM 853 O LEU A 55 8.371 4.579 -6.531 1.00 0.00 O ATOM 854 CB LEU A 55 10.244 2.960 -4.567 1.00 0.00 C ATOM 855 CG LEU A 55 11.629 3.616 -4.579 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.276 3.602 -3.204 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.546 2.902 -5.554 1.00 0.00 C ATOM 0 H LEU A 55 7.469 2.803 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 55 9.399 4.592 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.208 2.198 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.072 2.453 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 55 11.485 4.652 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.256 4.077 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.647 4.147 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.390 2.572 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.525 3.381 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.651 1.858 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.122 2.953 -6.557 1.00 0.00 H new ATOM 869 N HIS A 56 9.668 6.065 -5.380 1.00 0.00 N ATOM 870 CA HIS A 56 9.637 7.026 -6.465 1.00 0.00 C ATOM 871 C HIS A 56 10.672 6.623 -7.521 1.00 0.00 C ATOM 872 O HIS A 56 10.377 5.926 -8.481 1.00 0.00 O ATOM 873 CB HIS A 56 9.936 8.420 -5.921 1.00 0.00 C ATOM 874 CG HIS A 56 9.860 9.420 -7.049 1.00 0.00 C ATOM 875 ND1 HIS A 56 10.512 10.603 -7.054 1.00 0.00 N ATOM 876 CD2 HIS A 56 9.138 9.312 -8.252 1.00 0.00 C ATOM 877 CE1 HIS A 56 10.204 11.201 -8.217 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.376 10.442 -8.957 1.00 0.00 N ATOM 0 H HIS A 56 10.196 6.342 -4.553 1.00 0.00 H new ATOM 0 HA HIS A 56 8.649 7.040 -6.925 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.221 8.680 -5.140 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.926 8.441 -5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.513 8.485 -8.555 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.575 12.169 -8.520 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.999 10.674 -9.876 1.00 0.00 H new ATOM 886 N GLU A 57 11.899 7.119 -7.275 1.00 0.00 N ATOM 887 CA GLU A 57 12.989 6.810 -8.202 1.00 0.00 C ATOM 888 C GLU A 57 14.236 6.311 -7.442 1.00 0.00 C ATOM 889 O GLU A 57 15.305 6.123 -8.010 1.00 0.00 O ATOM 890 CB GLU A 57 13.334 8.074 -8.971 1.00 0.00 C ATOM 891 CG GLU A 57 12.091 8.707 -9.596 1.00 0.00 C ATOM 892 CD GLU A 57 12.141 8.561 -11.118 1.00 0.00 C ATOM 893 OE1 GLU A 57 12.640 7.544 -11.594 1.00 0.00 O ATOM 894 OE2 GLU A 57 11.679 9.468 -11.809 1.00 0.00 O ATOM 0 H GLU A 57 12.149 7.707 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 57 12.670 6.020 -8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.810 8.790 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.056 7.840 -9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.193 8.228 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.034 9.761 -9.325 1.00 0.00 H new ATOM 901 N GLY A 58 14.015 6.119 -6.132 1.00 0.00 N ATOM 902 CA GLY A 58 15.100 5.665 -5.274 1.00 0.00 C ATOM 903 C GLY A 58 15.004 6.300 -3.875 1.00 0.00 C ATOM 904 O GLY A 58 15.992 6.497 -3.178 1.00 0.00 O ATOM 0 H GLY A 58 13.122 6.268 -5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.068 4.579 -5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.058 5.921 -5.728 1.00 0.00 H new ATOM 908 N LYS A 59 13.737 6.586 -3.534 1.00 0.00 N ATOM 909 CA LYS A 59 13.429 7.177 -2.264 1.00 0.00 C ATOM 910 C LYS A 59 12.086 6.595 -1.877 1.00 0.00 C ATOM 911 O LYS A 59 11.039 6.977 -2.388 1.00 0.00 O ATOM 912 CB LYS A 59 13.340 8.695 -2.378 1.00 0.00 C ATOM 913 CG LYS A 59 14.591 9.296 -3.021 1.00 0.00 C ATOM 914 CD LYS A 59 14.293 9.866 -4.408 1.00 0.00 C ATOM 915 CE LYS A 59 13.323 11.047 -4.336 1.00 0.00 C ATOM 916 NZ LYS A 59 13.900 12.199 -3.653 1.00 0.00 N ATOM 0 H LYS A 59 12.928 6.411 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 59 14.199 6.967 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.464 8.963 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.200 9.125 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.987 10.084 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.363 8.531 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.223 10.187 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.870 9.085 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.030 11.336 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.416 10.737 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.278 13.023 -3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.999 11.988 -2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.836 12.409 -4.056 1.00 0.00 H new ATOM 930 N VAL A 60 12.189 5.643 -0.959 1.00 0.00 N ATOM 931 CA VAL A 60 10.980 4.976 -0.549 1.00 0.00 C ATOM 932 C VAL A 60 10.081 5.975 0.148 1.00 0.00 C ATOM 933 O VAL A 60 10.517 6.837 0.901 1.00 0.00 O ATOM 934 CB VAL A 60 11.301 3.829 0.399 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.423 4.352 1.826 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.207 2.769 0.337 1.00 0.00 C ATOM 0 H VAL A 60 13.051 5.334 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 60 10.478 4.570 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 60 12.247 3.382 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.653 3.525 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.222 5.092 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.482 4.813 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.450 1.955 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.254 3.212 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.134 2.381 -0.679 1.00 0.00 H new ATOM 946 N LEU A 61 8.802 5.776 -0.146 1.00 0.00 N ATOM 947 CA LEU A 61 7.820 6.655 0.436 1.00 0.00 C ATOM 948 C LEU A 61 6.770 5.879 1.182 1.00 0.00 C ATOM 949 O LEU A 61 6.599 4.674 1.045 1.00 0.00 O ATOM 950 CB LEU A 61 7.166 7.500 -0.650 1.00 0.00 C ATOM 951 CG LEU A 61 8.221 8.128 -1.544 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.593 9.148 -2.495 1.00 0.00 C ATOM 953 CD2 LEU A 61 9.280 8.786 -0.670 1.00 0.00 C ATOM 0 H LEU A 61 8.440 5.045 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 61 8.329 7.308 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.497 6.881 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.556 8.280 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 61 8.684 7.353 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.369 9.584 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.852 8.652 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.110 9.936 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.043 9.240 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.816 9.555 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.741 8.035 -0.029 1.00 0.00 H new ATOM 965 N HIS A 62 6.083 6.691 1.979 1.00 0.00 N ATOM 966 CA HIS A 62 5.015 6.144 2.788 1.00 0.00 C ATOM 967 C HIS A 62 3.847 7.123 2.799 1.00 0.00 C ATOM 968 O HIS A 62 4.022 8.324 2.823 1.00 0.00 O ATOM 969 CB HIS A 62 5.537 5.903 4.205 1.00 0.00 C ATOM 970 CG HIS A 62 6.414 4.679 4.187 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.557 4.537 4.894 1.00 0.00 N ATOM 972 CD2 HIS A 62 6.215 3.517 3.439 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.042 3.320 4.582 1.00 0.00 C ATOM 974 NE2 HIS A 62 7.247 2.686 3.706 1.00 0.00 N ATOM 0 H HIS A 62 6.242 7.694 2.077 1.00 0.00 H new ATOM 0 HA HIS A 62 4.671 5.195 2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.101 6.768 4.554 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.706 5.764 4.897 1.00 0.00 H new ATOM 0 HD1 HIS A 62 7.969 5.215 5.535 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.390 3.319 2.771 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.955 2.907 4.985 1.00 0.00 H new ATOM 982 N TYR A 63 2.647 6.535 2.749 1.00 0.00 N ATOM 983 CA TYR A 63 1.480 7.379 2.768 1.00 0.00 C ATOM 984 C TYR A 63 0.484 6.826 3.774 1.00 0.00 C ATOM 985 O TYR A 63 -0.008 5.713 3.645 1.00 0.00 O ATOM 986 CB TYR A 63 0.860 7.402 1.384 1.00 0.00 C ATOM 987 CG TYR A 63 1.696 8.190 0.419 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.913 9.579 0.605 1.00 0.00 C ATOM 989 CD2 TYR A 63 2.299 7.543 -0.686 1.00 0.00 C ATOM 990 CE1 TYR A 63 2.723 10.294 -0.298 1.00 0.00 C ATOM 991 CE2 TYR A 63 3.107 8.263 -1.586 1.00 0.00 C ATOM 992 CZ TYR A 63 3.319 9.640 -1.394 1.00 0.00 C ATOM 993 OH TYR A 63 4.109 10.349 -2.275 1.00 0.00 O ATOM 0 H TYR A 63 2.475 5.531 2.698 1.00 0.00 H new ATOM 0 HA TYR A 63 1.756 8.394 3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.746 6.381 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.139 7.835 1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.456 10.089 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.138 6.486 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.888 11.351 -0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.564 7.758 -2.424 1.00 0.00 H new ATOM 0 HH TYR A 63 4.443 9.747 -2.972 1.00 0.00 H new ATOM 1003 N ARG A 64 0.214 7.673 4.778 1.00 0.00 N ATOM 1004 CA ARG A 64 -0.728 7.242 5.786 1.00 0.00 C ATOM 1005 C ARG A 64 -2.097 7.102 5.139 1.00 0.00 C ATOM 1006 O ARG A 64 -2.465 7.836 4.230 1.00 0.00 O ATOM 1007 CB ARG A 64 -0.776 8.238 6.937 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.505 9.672 6.476 1.00 0.00 C ATOM 1009 CD ARG A 64 -0.436 10.633 7.661 1.00 0.00 C ATOM 1010 NE ARG A 64 -1.548 10.395 8.565 1.00 0.00 N ATOM 1011 CZ ARG A 64 -1.412 10.720 9.866 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -0.279 11.260 10.307 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -2.415 10.500 10.712 1.00 0.00 N ATOM 0 H ARG A 64 0.614 8.603 4.901 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.415 6.282 6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.755 8.191 7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.040 7.956 7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.433 9.707 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.291 9.991 5.792 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.507 10.502 8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.461 11.663 7.305 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.418 9.988 8.221 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.491 11.430 9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.180 11.504 11.292 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.284 10.086 10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.314 10.745 11.697 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.820 6.110 5.669 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.142 5.859 5.130 1.00 0.00 C ATOM 1029 C ILE A 65 -5.152 5.729 6.275 1.00 0.00 C ATOM 1030 O ILE A 65 -4.873 5.168 7.326 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.085 4.598 4.264 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.858 4.986 2.805 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.366 3.772 4.401 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.613 4.310 2.236 1.00 0.00 C ATOM 0 H ILE A 65 -2.525 5.500 6.432 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.470 6.690 4.505 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.254 3.982 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.729 4.706 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.754 6.068 2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.295 2.883 3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.497 3.473 5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.220 4.371 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.481 4.608 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.739 4.611 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.729 3.228 2.292 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.343 6.295 5.987 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.399 6.263 6.986 1.00 0.00 C ATOM 1048 C ASP A 66 -8.682 5.747 6.351 1.00 0.00 C ATOM 1049 O ASP A 66 -8.662 4.754 5.650 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.580 7.662 7.580 1.00 0.00 C ATOM 1051 CG ASP A 66 -8.414 7.580 8.861 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.012 6.867 9.779 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -9.457 8.230 8.925 1.00 0.00 O ATOM 0 H ASP A 66 -6.579 6.757 5.109 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.132 5.586 7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.607 8.103 7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.071 8.313 6.857 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.780 6.447 6.725 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.089 6.124 6.200 1.00 0.00 C ATOM 1060 C LYS A 67 -11.931 7.402 6.092 1.00 0.00 C ATOM 1061 O LYS A 67 -11.422 8.489 5.854 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.732 5.137 7.151 1.00 0.00 C ATOM 1063 CG LYS A 67 -12.101 5.813 8.464 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.991 4.854 9.649 1.00 0.00 C ATOM 1065 CE LYS A 67 -13.245 4.903 10.523 1.00 0.00 C ATOM 1066 NZ LYS A 67 -13.026 4.324 11.843 1.00 0.00 N ATOM 0 H LYS A 67 -9.766 7.227 7.382 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.015 5.687 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.625 4.712 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.047 4.311 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.447 6.669 8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.119 6.197 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.839 3.838 9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.118 5.112 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.568 5.938 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.053 4.368 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.904 4.381 12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.744 3.328 11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.274 4.850 12.332 1.00 0.00 H new ATOM 1080 N ASP A 68 -13.249 7.194 6.290 1.00 0.00 N ATOM 1081 CA ASP A 68 -14.154 8.336 6.195 1.00 0.00 C ATOM 1082 C ASP A 68 -15.304 8.189 7.195 1.00 0.00 C ATOM 1083 O ASP A 68 -16.454 8.501 6.908 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.703 8.420 4.775 1.00 0.00 C ATOM 1085 CG ASP A 68 -14.664 9.869 4.286 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -13.703 10.570 4.601 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -15.596 10.282 3.597 1.00 0.00 O ATOM 0 H ASP A 68 -13.683 6.296 6.504 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.609 9.250 6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.115 7.787 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.726 8.046 4.749 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.911 7.696 8.382 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.901 7.489 9.437 1.00 0.00 C ATOM 1094 C LYS A 69 -17.054 6.589 8.966 1.00 0.00 C ATOM 1095 O LYS A 69 -18.046 6.402 9.661 1.00 0.00 O ATOM 1096 CB LYS A 69 -16.432 8.840 9.912 1.00 0.00 C ATOM 1097 CG LYS A 69 -15.299 9.799 10.284 1.00 0.00 C ATOM 1098 CD LYS A 69 -14.830 10.614 9.078 1.00 0.00 C ATOM 1099 CE LYS A 69 -13.924 11.772 9.496 1.00 0.00 C ATOM 1100 NZ LYS A 69 -13.383 12.489 8.348 1.00 0.00 N ATOM 0 H LYS A 69 -13.953 7.444 8.624 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.414 6.979 10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -17.043 9.286 9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -17.081 8.692 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.637 10.474 11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.460 9.232 10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.294 9.964 8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.696 11.004 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.487 12.464 10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.104 11.389 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.775 13.265 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.824 11.836 7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.164 12.878 7.782 1.00 0.00 H new ATOM 1114 N THR A 70 -16.858 6.051 7.755 1.00 0.00 N ATOM 1115 CA THR A 70 -17.841 5.161 7.205 1.00 0.00 C ATOM 1116 C THR A 70 -17.435 3.724 7.530 1.00 0.00 C ATOM 1117 O THR A 70 -18.259 2.828 7.674 1.00 0.00 O ATOM 1118 CB THR A 70 -17.847 5.368 5.701 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.768 6.374 5.363 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.180 4.087 4.959 1.00 0.00 C ATOM 0 H THR A 70 -16.044 6.221 7.164 1.00 0.00 H new ATOM 0 HA THR A 70 -18.831 5.354 7.618 1.00 0.00 H new ATOM 0 HB THR A 70 -16.845 5.673 5.400 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.767 6.505 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.174 4.276 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.438 3.325 5.197 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.168 3.738 5.261 1.00 0.00 H new ATOM 1128 N GLY A 71 -16.100 3.581 7.633 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.559 2.274 7.912 1.00 0.00 C ATOM 1130 C GLY A 71 -14.521 1.839 6.866 1.00 0.00 C ATOM 1131 O GLY A 71 -13.694 0.966 7.104 1.00 0.00 O ATOM 0 H GLY A 71 -15.416 4.331 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.098 2.277 8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.370 1.546 7.941 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.623 2.505 5.702 1.00 0.00 N ATOM 1136 CA LYS A 72 -13.696 2.180 4.628 1.00 0.00 C ATOM 1137 C LYS A 72 -12.330 2.756 4.977 1.00 0.00 C ATOM 1138 O LYS A 72 -11.934 2.816 6.132 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.208 2.765 3.308 1.00 0.00 C ATOM 1140 CG LYS A 72 -15.650 2.343 3.028 1.00 0.00 C ATOM 1141 CD LYS A 72 -15.897 0.888 3.428 1.00 0.00 C ATOM 1142 CE LYS A 72 -17.334 0.462 3.132 1.00 0.00 C ATOM 1143 NZ LYS A 72 -17.599 -0.914 3.535 1.00 0.00 N ATOM 0 H LYS A 72 -15.305 3.234 5.495 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.614 1.099 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.147 3.853 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.567 2.436 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.333 2.993 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.868 2.472 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.206 0.239 2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.691 0.762 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.022 1.129 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.530 0.570 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.586 -1.157 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.962 -1.555 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.439 -1.013 4.558 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.624 3.132 3.901 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.336 3.739 4.104 1.00 0.00 C ATOM 1159 C LEU A 73 -10.187 4.887 3.104 1.00 0.00 C ATOM 1160 O LEU A 73 -10.785 4.885 2.035 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.230 2.711 3.911 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.644 1.564 2.992 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.439 1.057 2.202 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -10.258 0.427 3.810 1.00 0.00 C ATOM 0 H LEU A 73 -11.919 3.026 2.930 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.257 4.122 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.350 3.204 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.942 2.307 4.882 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.391 1.932 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.749 0.239 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.033 1.868 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.675 0.701 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.549 -0.385 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.526 0.061 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.137 0.794 4.340 1.00 0.00 H new ATOM 1176 N SER A 74 -9.357 5.866 3.513 1.00 0.00 N ATOM 1177 CA SER A 74 -9.157 6.998 2.631 1.00 0.00 C ATOM 1178 C SER A 74 -7.879 7.727 3.022 1.00 0.00 C ATOM 1179 O SER A 74 -7.500 7.800 4.184 1.00 0.00 O ATOM 1180 CB SER A 74 -10.355 7.939 2.725 1.00 0.00 C ATOM 1181 OG SER A 74 -10.264 8.742 3.873 1.00 0.00 O ATOM 0 H SER A 74 -8.848 5.888 4.397 1.00 0.00 H new ATOM 0 HA SER A 74 -9.064 6.650 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.400 8.569 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.278 7.360 2.752 1.00 0.00 H new ATOM 0 HG SER A 74 -11.137 8.780 4.316 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.254 8.262 1.969 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.018 8.986 2.181 1.00 0.00 C ATOM 1189 C ILE A 75 -6.330 10.471 2.373 1.00 0.00 C ATOM 1190 O ILE A 75 -7.195 11.035 1.713 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.139 8.794 0.953 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.166 7.334 0.496 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -3.706 9.250 1.216 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.117 7.067 -0.583 1.00 0.00 C ATOM 0 H ILE A 75 -7.574 8.207 1.002 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.503 8.616 3.068 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.543 9.416 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.986 6.681 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.156 7.090 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.106 9.099 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.703 10.307 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.284 8.670 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.164 6.021 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.313 7.703 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.125 7.287 -0.188 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.577 11.081 3.318 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.717 12.491 3.621 1.00 0.00 C ATOM 1208 C PRO A 76 -5.558 13.340 2.361 1.00 0.00 C ATOM 1209 O PRO A 76 -6.491 13.970 1.877 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.605 12.811 4.624 1.00 0.00 C ATOM 1211 CG PRO A 76 -3.903 11.484 4.959 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.564 10.399 4.103 1.00 0.00 C ATOM 0 HA PRO A 76 -6.705 12.713 4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.898 13.525 4.201 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.018 13.267 5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.836 11.547 4.745 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.002 11.252 6.019 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.834 9.909 3.459 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.009 9.624 4.728 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.310 13.303 1.872 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.009 14.048 0.661 1.00 0.00 C ATOM 1222 C GLU A 77 -4.317 13.188 -0.574 1.00 0.00 C ATOM 1223 O GLU A 77 -4.726 13.686 -1.616 1.00 0.00 O ATOM 1224 CB GLU A 77 -2.540 14.461 0.675 1.00 0.00 C ATOM 1225 CG GLU A 77 -2.232 15.401 1.840 1.00 0.00 C ATOM 1226 CD GLU A 77 -0.773 15.849 1.764 1.00 0.00 C ATOM 1227 OE1 GLU A 77 0.008 15.181 1.088 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -0.436 16.860 2.377 1.00 0.00 O ATOM 0 H GLU A 77 -3.530 12.787 2.280 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.629 14.944 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.912 13.573 0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.290 14.952 -0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.892 16.268 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.419 14.896 2.788 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.091 11.868 -0.385 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.345 10.947 -1.481 1.00 0.00 C ATOM 1237 C GLY A 78 -5.769 11.122 -2.030 1.00 0.00 C ATOM 1238 O GLY A 78 -6.114 12.136 -2.623 1.00 0.00 O ATOM 0 H GLY A 78 -3.750 11.445 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.621 11.116 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.207 9.922 -1.138 1.00 0.00 H new ATOM 1242 N LYS A 79 -6.561 10.056 -1.795 1.00 0.00 N ATOM 1243 CA LYS A 79 -7.936 10.088 -2.251 1.00 0.00 C ATOM 1244 C LYS A 79 -8.847 9.457 -1.191 1.00 0.00 C ATOM 1245 O LYS A 79 -8.692 9.651 0.009 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.036 9.325 -3.569 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.171 9.852 -4.442 1.00 0.00 C ATOM 1248 CD LYS A 79 -8.775 11.163 -5.119 1.00 0.00 C ATOM 1249 CE LYS A 79 -9.773 11.562 -6.206 1.00 0.00 C ATOM 1250 NZ LYS A 79 -9.542 10.851 -7.458 1.00 0.00 N ATOM 0 H LYS A 79 -6.275 9.204 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.255 11.118 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.093 9.407 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.195 8.266 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.427 9.110 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.062 10.007 -3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.715 11.955 -4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.782 11.061 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.786 11.360 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.705 12.635 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.341 11.536 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.731 10.209 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.389 10.300 -7.706 1.00 0.00 H new ATOM 1264 N LYS A 80 -9.798 8.692 -1.741 1.00 0.00 N ATOM 1265 CA LYS A 80 -10.758 8.002 -0.887 1.00 0.00 C ATOM 1266 C LYS A 80 -11.161 6.696 -1.573 1.00 0.00 C ATOM 1267 O LYS A 80 -11.340 6.645 -2.784 1.00 0.00 O ATOM 1268 CB LYS A 80 -11.975 8.896 -0.661 1.00 0.00 C ATOM 1269 CG LYS A 80 -11.561 10.335 -0.349 1.00 0.00 C ATOM 1270 CD LYS A 80 -12.776 11.233 -0.109 1.00 0.00 C ATOM 1271 CE LYS A 80 -13.406 10.973 1.259 1.00 0.00 C ATOM 1272 NZ LYS A 80 -14.524 11.868 1.533 1.00 0.00 N ATOM 0 H LYS A 80 -9.918 8.541 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.317 7.778 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.608 8.882 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.571 8.501 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.920 10.346 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.973 10.732 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.476 12.279 -0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.517 11.061 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.750 9.940 1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.649 11.093 2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.093 11.484 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.161 12.806 1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.117 11.954 0.683 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.293 5.644 -0.737 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.640 4.374 -1.315 1.00 0.00 C ATOM 1288 C PHE A 81 -12.469 3.531 -0.350 1.00 0.00 C ATOM 1289 O PHE A 81 -12.668 3.866 0.814 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.350 3.661 -1.652 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.665 4.322 -2.808 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.132 4.113 -4.126 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.549 5.168 -2.592 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.491 4.740 -5.219 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -7.908 5.794 -3.685 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.379 5.581 -4.998 1.00 0.00 C ATOM 0 H PHE A 81 -11.169 5.662 0.275 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.246 4.529 -2.207 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.691 3.662 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.557 2.619 -1.894 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.983 3.471 -4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.187 5.335 -1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.852 4.575 -6.223 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.057 6.436 -3.515 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.889 6.061 -5.833 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.924 2.403 -0.930 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.732 1.484 -0.154 1.00 0.00 C ATOM 1308 C ASP A 82 -12.825 0.461 0.529 1.00 0.00 C ATOM 1309 O ASP A 82 -12.924 0.210 1.724 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.734 0.790 -1.075 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.671 -0.098 -0.255 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.258 -0.566 0.805 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -16.803 -0.311 -0.685 1.00 0.00 O ATOM 0 H ASP A 82 -12.747 2.126 -1.896 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.282 2.028 0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.312 1.534 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.205 0.189 -1.815 1.00 0.00 H new ATOM 1318 N THR A 83 -11.934 -0.113 -0.309 1.00 0.00 N ATOM 1319 CA THR A 83 -11.017 -1.089 0.223 1.00 0.00 C ATOM 1320 C THR A 83 -9.675 -0.892 -0.461 1.00 0.00 C ATOM 1321 O THR A 83 -9.552 -0.173 -1.445 1.00 0.00 O ATOM 1322 CB THR A 83 -11.552 -2.498 -0.027 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.724 -2.693 -1.409 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.879 -2.736 0.693 1.00 0.00 C ATOM 0 H THR A 83 -11.846 0.083 -1.306 1.00 0.00 H new ATOM 0 HA THR A 83 -10.904 -0.963 1.300 1.00 0.00 H new ATOM 0 HB THR A 83 -10.826 -3.209 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.066 -3.597 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.226 -3.749 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.739 -2.609 1.766 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.620 -2.020 0.337 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.682 -1.571 0.119 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.365 -1.474 -0.425 1.00 0.00 C ATOM 1334 C LEU A 84 -7.286 -2.036 -1.842 1.00 0.00 C ATOM 1335 O LEU A 84 -6.252 -2.003 -2.490 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.486 -2.278 0.492 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.658 -1.398 1.415 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.700 -2.259 2.228 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.897 -0.350 0.610 1.00 0.00 C ATOM 0 H LEU A 84 -8.778 -2.171 0.939 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.058 -0.430 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.104 -2.947 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.821 -2.904 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.324 -0.876 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.109 -1.623 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.269 -2.972 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.035 -2.799 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.309 0.272 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.232 -0.846 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.605 0.275 0.065 1.00 0.00 H new ATOM 1351 N TRP A 85 -8.437 -2.543 -2.264 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.511 -3.107 -3.597 1.00 0.00 C ATOM 1353 C TRP A 85 -8.810 -2.007 -4.590 1.00 0.00 C ATOM 1354 O TRP A 85 -8.393 -2.033 -5.740 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.638 -4.127 -3.631 1.00 0.00 C ATOM 1356 CG TRP A 85 -9.101 -5.477 -4.038 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -8.283 -5.720 -5.138 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -9.337 -6.729 -3.394 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -8.001 -7.056 -5.205 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -8.632 -7.720 -4.146 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -10.067 -7.087 -2.268 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -8.670 -9.054 -3.762 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -10.113 -8.446 -1.867 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -9.413 -9.431 -2.614 1.00 0.00 C ATOM 0 H TRP A 85 -9.301 -2.574 -1.723 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.564 -3.582 -3.853 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -10.108 -4.194 -2.650 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -10.408 -3.807 -4.332 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.927 -4.971 -5.830 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.421 -7.500 -5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.596 -6.335 -1.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -8.137 -9.800 -4.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.680 -8.732 -0.994 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.447 -10.466 -2.308 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.555 -1.040 -4.054 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.935 0.065 -4.898 1.00 0.00 C ATOM 1377 C GLN A 86 -8.858 1.121 -4.858 1.00 0.00 C ATOM 1378 O GLN A 86 -8.466 1.674 -5.866 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.280 0.630 -4.447 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.424 -0.342 -4.736 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.661 -0.431 -6.246 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -13.018 0.540 -6.902 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -12.437 -1.660 -6.743 1.00 0.00 N ATOM 0 H GLN A 86 -9.887 -1.006 -3.090 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.044 -0.279 -5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.245 0.845 -3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.467 1.575 -4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.185 -1.328 -4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.333 -0.008 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.141 -2.414 -6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.563 -1.838 -7.739 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.393 1.360 -3.641 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.353 2.353 -3.526 1.00 0.00 C ATOM 1394 C LEU A 87 -6.099 1.889 -4.262 1.00 0.00 C ATOM 1395 O LEU A 87 -5.341 2.692 -4.782 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.061 2.602 -2.046 1.00 0.00 C ATOM 1397 CG LEU A 87 -5.938 3.617 -1.835 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -5.897 4.059 -0.373 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.591 3.019 -2.242 1.00 0.00 C ATOM 0 H LEU A 87 -8.697 0.912 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.681 3.287 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.966 2.959 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.790 1.660 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.134 4.486 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.093 4.782 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.849 4.518 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.720 3.193 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.803 3.756 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.387 2.136 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.621 2.739 -3.295 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.942 0.555 -4.306 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.786 0.036 -4.960 1.00 0.00 C ATOM 1413 C VAL A 88 -5.010 -0.047 -6.450 1.00 0.00 C ATOM 1414 O VAL A 88 -4.159 0.320 -7.235 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.497 -1.346 -4.440 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.546 -2.027 -5.399 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.912 -1.284 -3.033 1.00 0.00 C ATOM 0 H VAL A 88 -6.581 -0.134 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.947 0.703 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.422 -1.920 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.324 -3.032 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.006 -2.088 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.622 -1.452 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.711 -2.295 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.983 -0.714 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.623 -0.799 -2.364 1.00 0.00 H new ATOM 1427 N GLU A 89 -6.188 -0.588 -6.793 1.00 0.00 N ATOM 1428 CA GLU A 89 -6.447 -0.735 -8.208 1.00 0.00 C ATOM 1429 C GLU A 89 -6.531 0.622 -8.865 1.00 0.00 C ATOM 1430 O GLU A 89 -6.004 0.855 -9.946 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.724 -1.503 -8.417 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.937 -0.757 -7.901 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.682 -0.095 -9.062 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -10.349 -0.806 -9.812 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.588 1.123 -9.202 1.00 0.00 O ATOM 0 H GLU A 89 -6.919 -0.906 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.627 -1.289 -8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.852 -1.708 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.652 -2.467 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.601 -1.445 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.628 -0.001 -7.179 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.226 1.499 -8.144 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.375 2.830 -8.693 1.00 0.00 C ATOM 1444 C HIS A 90 -6.014 3.408 -8.946 1.00 0.00 C ATOM 1445 O HIS A 90 -5.666 3.821 -10.037 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.133 3.723 -7.729 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.801 4.838 -8.498 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -10.023 4.739 -9.063 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -8.301 6.127 -8.758 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -10.268 5.922 -9.650 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -9.243 6.777 -9.480 1.00 0.00 N ATOM 0 H HIS A 90 -7.665 1.325 -7.240 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.937 2.770 -9.625 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.879 3.142 -7.188 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.451 4.136 -6.986 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.347 6.522 -8.442 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.173 6.157 -10.190 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -9.187 7.734 -9.829 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.285 3.417 -7.848 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.943 3.943 -7.925 1.00 0.00 C ATOM 1461 C TYR A 91 -3.114 3.120 -8.909 1.00 0.00 C ATOM 1462 O TYR A 91 -2.137 3.597 -9.473 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.318 3.963 -6.547 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.681 5.237 -5.824 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -4.909 5.892 -6.105 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.812 5.795 -4.855 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.264 7.077 -5.427 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.171 6.986 -4.177 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.395 7.623 -4.463 1.00 0.00 C ATOM 1470 OH TYR A 91 -4.740 8.783 -3.801 1.00 0.00 O ATOM 0 H TYR A 91 -5.583 3.082 -6.932 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.973 4.968 -8.293 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.660 3.102 -5.973 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.234 3.881 -6.631 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.578 5.479 -6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.873 5.311 -4.632 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.202 7.565 -5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.505 7.407 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.049 9.462 -3.949 1.00 0.00 H new ATOM 1480 N SER A 92 -3.553 1.855 -9.090 1.00 0.00 N ATOM 1481 CA SER A 92 -2.842 1.036 -10.057 1.00 0.00 C ATOM 1482 C SER A 92 -2.943 1.693 -11.438 1.00 0.00 C ATOM 1483 O SER A 92 -2.228 1.361 -12.376 1.00 0.00 O ATOM 1484 CB SER A 92 -3.494 -0.325 -10.093 1.00 0.00 C ATOM 1485 OG SER A 92 -2.533 -1.350 -10.111 1.00 0.00 O ATOM 0 H SER A 92 -4.339 1.415 -8.612 1.00 0.00 H new ATOM 0 HA SER A 92 -1.792 0.940 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.140 -0.444 -9.223 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.129 -0.403 -10.975 1.00 0.00 H new ATOM 0 HG SER A 92 -2.983 -2.220 -10.132 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.889 2.648 -11.476 1.00 0.00 N ATOM 1492 CA TYR A 93 -4.135 3.368 -12.700 1.00 0.00 C ATOM 1493 C TYR A 93 -3.244 4.585 -12.741 1.00 0.00 C ATOM 1494 O TYR A 93 -2.471 4.804 -13.660 1.00 0.00 O ATOM 1495 CB TYR A 93 -5.584 3.840 -12.719 1.00 0.00 C ATOM 1496 CG TYR A 93 -6.561 2.718 -12.513 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -6.166 1.370 -12.695 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.895 3.004 -12.136 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -7.095 0.321 -12.505 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -8.824 1.956 -11.946 1.00 0.00 C ATOM 1501 CZ TYR A 93 -8.424 0.615 -12.132 1.00 0.00 C ATOM 1502 OH TYR A 93 -9.332 -0.408 -11.952 1.00 0.00 O ATOM 0 H TYR A 93 -4.473 2.921 -10.686 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.935 2.719 -13.552 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.728 4.589 -11.941 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.791 4.326 -13.672 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.150 1.142 -12.980 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.205 4.029 -11.993 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.788 -0.705 -12.645 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.840 2.181 -11.658 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.088 -0.084 -11.419 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.483 5.378 -11.690 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.761 6.599 -11.521 1.00 0.00 C ATOM 1514 C LYS A 94 -2.209 6.729 -10.118 1.00 0.00 C ATOM 1515 O LYS A 94 -2.348 5.875 -9.255 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.743 7.720 -11.716 1.00 0.00 C ATOM 1517 CG LYS A 94 -5.013 7.485 -10.883 1.00 0.00 C ATOM 1518 CD LYS A 94 -6.098 8.508 -11.204 1.00 0.00 C ATOM 1519 CE LYS A 94 -6.811 8.165 -12.513 1.00 0.00 C ATOM 1520 NZ LYS A 94 -7.724 9.217 -12.943 1.00 0.00 N ATOM 0 H LYS A 94 -4.169 5.180 -10.961 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.933 6.623 -12.229 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.284 8.666 -11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.005 7.801 -12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.392 6.481 -11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.767 7.537 -9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.822 8.541 -10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.655 9.501 -11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.069 7.991 -13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.366 7.235 -12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.182 8.937 -13.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.449 9.367 -12.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.193 10.099 -13.089 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.574 7.887 -9.984 1.00 0.00 N ATOM 1535 CA ALA A 95 -1.007 8.247 -8.702 1.00 0.00 C ATOM 1536 C ALA A 95 -2.114 8.864 -7.841 1.00 0.00 C ATOM 1537 O ALA A 95 -2.300 8.525 -6.681 1.00 0.00 O ATOM 1538 CB ALA A 95 0.132 9.241 -8.910 1.00 0.00 C ATOM 0 H ALA A 95 -1.443 8.572 -10.728 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.605 7.367 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.559 9.512 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.902 8.786 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.251 10.135 -9.401 1.00 0.00 H new ATOM 1544 N ASP A 96 -2.845 9.783 -8.503 1.00 0.00 N ATOM 1545 CA ASP A 96 -3.939 10.451 -7.799 1.00 0.00 C ATOM 1546 C ASP A 96 -3.413 11.480 -6.799 1.00 0.00 C ATOM 1547 O ASP A 96 -4.153 12.253 -6.203 1.00 0.00 O ATOM 1548 CB ASP A 96 -4.779 9.411 -7.099 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.241 9.542 -7.539 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -6.478 9.918 -8.685 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -7.125 9.273 -6.729 1.00 0.00 O ATOM 0 H ASP A 96 -2.704 10.064 -9.473 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.549 10.989 -8.524 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.408 8.413 -7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.702 9.535 -6.019 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.095 11.423 -6.671 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.425 12.336 -5.762 1.00 0.00 C ATOM 1558 C GLY A 97 -0.046 11.809 -5.336 1.00 0.00 C ATOM 1559 O GLY A 97 0.815 12.555 -4.887 1.00 0.00 O ATOM 0 H GLY A 97 -1.485 10.775 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.310 13.308 -6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.045 12.489 -4.878 1.00 0.00 H new ATOM 1563 N LEU A 98 0.091 10.478 -5.499 1.00 0.00 N ATOM 1564 CA LEU A 98 1.338 9.850 -5.124 1.00 0.00 C ATOM 1565 C LEU A 98 2.495 10.592 -5.774 1.00 0.00 C ATOM 1566 O LEU A 98 2.344 11.659 -6.356 1.00 0.00 O ATOM 1567 CB LEU A 98 1.338 8.417 -5.634 1.00 0.00 C ATOM 1568 CG LEU A 98 0.135 7.643 -5.131 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.038 6.361 -5.931 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.309 7.341 -3.646 1.00 0.00 C ATOM 0 H LEU A 98 -0.623 9.853 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 98 1.446 9.871 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.340 8.419 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.252 7.917 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.765 8.244 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.905 5.815 -5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.186 6.606 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.853 5.743 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.556 6.785 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.211 6.746 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.397 8.276 -3.092 1.00 0.00 H new ATOM 1582 N LEU A 99 3.658 9.937 -5.646 1.00 0.00 N ATOM 1583 CA LEU A 99 4.834 10.499 -6.273 1.00 0.00 C ATOM 1584 C LEU A 99 4.735 10.200 -7.773 1.00 0.00 C ATOM 1585 O LEU A 99 4.955 11.050 -8.627 1.00 0.00 O ATOM 1586 CB LEU A 99 6.086 9.870 -5.666 1.00 0.00 C ATOM 1587 CG LEU A 99 7.217 10.889 -5.527 1.00 0.00 C ATOM 1588 CD1 LEU A 99 7.359 11.708 -6.806 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.958 11.812 -4.336 1.00 0.00 C ATOM 0 H LEU A 99 3.796 9.063 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 99 4.896 11.575 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.847 9.455 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.417 9.041 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 99 8.148 10.348 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.169 12.428 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.582 11.043 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.428 12.238 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.772 12.532 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.018 12.343 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.899 11.220 -3.423 1.00 0.00 H new ATOM 1601 N ARG A 100 4.381 8.919 -8.013 1.00 0.00 N ATOM 1602 CA ARG A 100 4.201 8.462 -9.370 1.00 0.00 C ATOM 1603 C ARG A 100 3.226 7.279 -9.343 1.00 0.00 C ATOM 1604 O ARG A 100 3.167 6.523 -8.382 1.00 0.00 O ATOM 1605 CB ARG A 100 5.546 8.029 -9.921 1.00 0.00 C ATOM 1606 CG ARG A 100 5.644 8.240 -11.434 1.00 0.00 C ATOM 1607 CD ARG A 100 4.976 7.109 -12.214 1.00 0.00 C ATOM 1608 NE ARG A 100 5.546 7.020 -13.547 1.00 0.00 N ATOM 1609 CZ ARG A 100 4.817 6.459 -14.531 1.00 0.00 C ATOM 1610 NH1 ARG A 100 3.594 6.002 -14.280 1.00 0.00 N ATOM 1611 NH2 ARG A 100 5.322 6.362 -15.758 1.00 0.00 N ATOM 0 H ARG A 100 4.222 8.214 -7.293 1.00 0.00 H new ATOM 0 HA ARG A 100 3.800 9.252 -10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.338 8.590 -9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.709 6.976 -9.691 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.177 9.188 -11.699 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.693 8.310 -11.723 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.111 6.164 -11.688 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.903 7.286 -12.280 1.00 0.00 H new ATOM 0 HE ARG A 100 6.483 7.376 -13.735 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.205 6.076 -13.340 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.045 5.578 -15.027 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.260 6.712 -15.953 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.771 5.937 -16.504 1.00 0.00 H new ATOM 1625 N VAL A 101 2.467 7.174 -10.447 1.00 0.00 N ATOM 1626 CA VAL A 101 1.513 6.099 -10.538 1.00 0.00 C ATOM 1627 C VAL A 101 2.150 4.792 -10.073 1.00 0.00 C ATOM 1628 O VAL A 101 3.341 4.704 -9.805 1.00 0.00 O ATOM 1629 CB VAL A 101 1.118 5.940 -11.987 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -0.140 5.118 -12.090 1.00 0.00 C ATOM 1631 CG2 VAL A 101 0.928 7.302 -12.659 1.00 0.00 C ATOM 0 H VAL A 101 2.504 7.802 -11.250 1.00 0.00 H new ATOM 0 HA VAL A 101 0.649 6.326 -9.913 1.00 0.00 H new ATOM 0 HB VAL A 101 1.923 5.422 -12.508 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.418 5.008 -13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.032 4.133 -11.655 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.946 5.617 -11.551 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.644 7.157 -13.701 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.144 7.856 -12.143 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.861 7.864 -12.612 1.00 0.00 H new ATOM 1641 N LEU A 102 1.262 3.790 -10.008 1.00 0.00 N ATOM 1642 CA LEU A 102 1.710 2.462 -9.639 1.00 0.00 C ATOM 1643 C LEU A 102 1.687 1.609 -10.888 1.00 0.00 C ATOM 1644 O LEU A 102 0.932 1.841 -11.824 1.00 0.00 O ATOM 1645 CB LEU A 102 0.774 1.841 -8.623 1.00 0.00 C ATOM 1646 CG LEU A 102 0.905 2.439 -7.223 1.00 0.00 C ATOM 1647 CD1 LEU A 102 1.037 3.956 -7.265 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.306 2.049 -6.385 1.00 0.00 C ATOM 0 H LEU A 102 0.264 3.878 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 102 2.708 2.523 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.253 1.963 -8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.968 0.770 -8.571 1.00 0.00 H new ATOM 0 HG LEU A 102 1.814 2.040 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.128 4.342 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.924 4.228 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.154 4.385 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.211 2.476 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.212 2.428 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.363 0.963 -6.311 1.00 0.00 H new ATOM 1660 N THR A 103 2.561 0.616 -10.835 1.00 0.00 N ATOM 1661 CA THR A 103 2.649 -0.270 -11.956 1.00 0.00 C ATOM 1662 C THR A 103 3.112 -1.668 -11.513 1.00 0.00 C ATOM 1663 O THR A 103 2.751 -2.677 -12.107 1.00 0.00 O ATOM 1664 CB THR A 103 3.623 0.363 -12.937 1.00 0.00 C ATOM 1665 OG1 THR A 103 2.909 1.125 -13.878 1.00 0.00 O ATOM 1666 CG2 THR A 103 4.473 -0.663 -13.652 1.00 0.00 C ATOM 0 H THR A 103 3.190 0.418 -10.057 1.00 0.00 H new ATOM 0 HA THR A 103 1.676 -0.409 -12.427 1.00 0.00 H new ATOM 0 HB THR A 103 4.298 0.999 -12.365 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.090 1.471 -13.465 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.151 -0.158 -14.340 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.052 -1.228 -12.922 1.00 0.00 H new ATOM 0 HG23 THR A 103 3.830 -1.343 -14.210 1.00 0.00 H new ATOM 1674 N VAL A 104 3.930 -1.665 -10.439 1.00 0.00 N ATOM 1675 CA VAL A 104 4.448 -2.949 -9.970 1.00 0.00 C ATOM 1676 C VAL A 104 4.436 -3.057 -8.448 1.00 0.00 C ATOM 1677 O VAL A 104 4.619 -2.081 -7.735 1.00 0.00 O ATOM 1678 CB VAL A 104 5.904 -3.064 -10.402 1.00 0.00 C ATOM 1679 CG1 VAL A 104 6.419 -4.490 -10.220 1.00 0.00 C ATOM 1680 CG2 VAL A 104 6.093 -2.624 -11.849 1.00 0.00 C ATOM 0 H VAL A 104 4.226 -0.841 -9.915 1.00 0.00 H new ATOM 0 HA VAL A 104 3.814 -3.730 -10.389 1.00 0.00 H new ATOM 0 HB VAL A 104 6.483 -2.398 -9.763 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.461 -4.544 -10.536 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.343 -4.773 -9.170 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.821 -5.173 -10.824 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.143 -2.719 -12.124 1.00 0.00 H new ATOM 0 HG22 VAL A 104 5.489 -3.253 -12.502 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.782 -1.585 -11.957 1.00 0.00 H new ATOM 1690 N PRO A 105 4.212 -4.317 -7.982 1.00 0.00 N ATOM 1691 CA PRO A 105 4.279 -4.635 -6.569 1.00 0.00 C ATOM 1692 C PRO A 105 5.740 -4.541 -6.117 1.00 0.00 C ATOM 1693 O PRO A 105 6.648 -4.971 -6.817 1.00 0.00 O ATOM 1694 CB PRO A 105 3.761 -6.066 -6.430 1.00 0.00 C ATOM 1695 CG PRO A 105 3.473 -6.579 -7.851 1.00 0.00 C ATOM 1696 CD PRO A 105 3.775 -5.425 -8.816 1.00 0.00 C ATOM 0 HA PRO A 105 3.688 -3.953 -5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.499 -6.697 -5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.858 -6.092 -5.820 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.093 -7.446 -8.081 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.434 -6.896 -7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.548 -5.705 -9.531 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.890 -5.155 -9.393 1.00 0.00 H new ATOM 1704 N CYS A 106 5.915 -3.969 -4.921 1.00 0.00 N ATOM 1705 CA CYS A 106 7.269 -3.766 -4.460 1.00 0.00 C ATOM 1706 C CYS A 106 7.831 -5.003 -3.791 1.00 0.00 C ATOM 1707 O CYS A 106 8.988 -5.363 -3.973 1.00 0.00 O ATOM 1708 CB CYS A 106 7.258 -2.623 -3.476 1.00 0.00 C ATOM 1709 SG CYS A 106 8.258 -1.219 -4.009 1.00 0.00 S ATOM 0 H CYS A 106 5.174 -3.657 -4.293 1.00 0.00 H new ATOM 0 HA CYS A 106 7.904 -3.545 -5.318 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.231 -2.292 -3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.625 -2.977 -2.513 1.00 0.00 H new ATOM 0 HG CYS A 106 7.841 -0.139 -3.417 1.00 0.00 H new ATOM 1715 N GLN A 107 6.949 -5.614 -2.995 1.00 0.00 N ATOM 1716 CA GLN A 107 7.367 -6.775 -2.271 1.00 0.00 C ATOM 1717 C GLN A 107 8.287 -7.653 -3.087 1.00 0.00 C ATOM 1718 O GLN A 107 8.415 -7.560 -4.302 1.00 0.00 O ATOM 1719 CB GLN A 107 6.158 -7.543 -1.825 1.00 0.00 C ATOM 1720 CG GLN A 107 6.314 -7.977 -0.380 1.00 0.00 C ATOM 1721 CD GLN A 107 7.155 -9.252 -0.289 1.00 0.00 C ATOM 1722 OE1 GLN A 107 8.163 -9.315 0.405 1.00 0.00 O ATOM 1723 NE2 GLN A 107 6.668 -10.258 -1.037 1.00 0.00 N ATOM 0 H GLN A 107 5.982 -5.324 -2.851 1.00 0.00 H new ATOM 0 HA GLN A 107 7.936 -6.448 -1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.266 -6.925 -1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.019 -8.417 -2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.787 -7.181 0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.333 -8.150 0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.820 -10.120 -1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.147 -11.159 -1.054 1.00 0.00 H new ATOM 1857 N GLU B 3 5.047 10.487 3.211 1.00 0.00 N ATOM 1858 CA GLU B 3 5.155 11.439 2.133 1.00 0.00 C ATOM 1859 C GLU B 3 3.789 12.082 1.935 1.00 0.00 C ATOM 1860 O GLU B 3 2.798 11.666 2.523 1.00 0.00 O ATOM 1861 CB GLU B 3 5.617 10.727 0.885 1.00 0.00 C ATOM 1862 CG GLU B 3 7.033 10.203 1.054 1.00 0.00 C ATOM 1863 CD GLU B 3 7.893 11.195 1.842 1.00 0.00 C ATOM 1864 OE1 GLU B 3 8.220 12.249 1.298 1.00 0.00 O ATOM 1865 OE2 GLU B 3 8.227 10.902 2.989 1.00 0.00 O ATOM 0 HA GLU B 3 5.884 12.216 2.362 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.943 9.900 0.662 1.00 0.00 H new ATOM 0 HB3 GLU B 3 5.576 11.409 0.036 1.00 0.00 H new ATOM 0 HG2 GLU B 3 7.011 9.244 1.572 1.00 0.00 H new ATOM 0 HG3 GLU B 3 7.479 10.027 0.075 1.00 0.00 H new ATOM 1872 N THR B 4 3.787 13.116 1.080 1.00 0.00 N ATOM 1873 CA THR B 4 2.521 13.781 0.855 1.00 0.00 C ATOM 1874 C THR B 4 1.916 13.336 -0.463 1.00 0.00 C ATOM 1875 O THR B 4 2.412 13.606 -1.551 1.00 0.00 O ATOM 1876 CB THR B 4 2.711 15.291 0.892 1.00 0.00 C ATOM 1877 OG1 THR B 4 4.008 15.613 0.447 1.00 0.00 O ATOM 1878 CG2 THR B 4 2.498 15.862 2.296 1.00 0.00 C ATOM 0 H THR B 4 4.592 13.481 0.571 1.00 0.00 H new ATOM 0 HA THR B 4 1.828 13.505 1.650 1.00 0.00 H new ATOM 0 HB THR B 4 1.963 15.735 0.235 1.00 0.00 H new ATOM 0 HG1 THR B 4 4.130 16.585 0.469 1.00 0.00 H new ATOM 0 HG21 THR B 4 2.644 16.942 2.275 1.00 0.00 H new ATOM 0 HG22 THR B 4 1.485 15.639 2.630 1.00 0.00 H new ATOM 0 HG23 THR B 4 3.214 15.412 2.984 1.00 0.00 H new ATOM 1886 N LEU B 5 0.809 12.617 -0.253 1.00 0.00 N ATOM 1887 CA LEU B 5 0.078 12.078 -1.358 1.00 0.00 C ATOM 1888 C LEU B 5 -0.747 13.183 -2.020 1.00 0.00 C ATOM 1889 O LEU B 5 -1.927 13.023 -2.310 1.00 0.00 O ATOM 1890 CB LEU B 5 -0.816 10.975 -0.828 1.00 0.00 C ATOM 1891 CG LEU B 5 -0.637 9.745 -1.677 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.281 8.535 -1.045 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -1.238 9.998 -3.033 1.00 0.00 C ATOM 0 H LEU B 5 0.419 12.408 0.666 1.00 0.00 H new ATOM 0 HA LEU B 5 0.753 11.672 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.567 10.755 0.210 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.858 11.295 -0.844 1.00 0.00 H new ATOM 0 HG LEU B 5 0.429 9.538 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.131 7.666 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.829 8.349 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.349 8.714 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.114 9.113 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.300 10.220 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.736 10.845 -3.501 1.00 0.00 H new