USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 905 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 115 ASN :FLIP amide:sc= 0.468 F(o=-0.038,f=1.1) USER MOD Set 1.2: A 117 THR OG1 : rot 98:sc= 0.6 USER MOD Set 2.1: A 39 GLN : amide:sc= -0.63 X(o=0.39,f=0.87) USER MOD Set 2.2: A 46 HIS : no HE2:sc= 1.02 K(o=0.39,f=-5.7!) USER MOD Set 3.1: A 33 SER OG : rot -135:sc= 1.3 USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0.957 USER MOD Set 4.1: A 27 MET CE :methyl -152:sc= -0.0079 (180deg=-0.0107) USER MOD Set 4.2: A 99 CYS SG : rot -56:sc= -2.06! USER MOD Single : A 19 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 1.77 K(o=1.8,f=-0.1) USER MOD Single : A 32 ASN : amide:sc= 0.242 K(o=0.24,f=-1.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 1.01 K(o=1,f=-6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 52 GLN : amide:sc= 0.278 X(o=0.28,f=-0.066) USER MOD Single : A 53 SER OG : rot -84:sc= 0.803 USER MOD Single : A 60 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 83 GLN : amide:sc= 1.23 K(o=1.2,f=-0.27) USER MOD Single : A 84 GLN : amide:sc= -0.0622 K(o=-0.062,f=-1) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0371) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.0198 (180deg=-0.166) USER MOD Single : A 103 SER OG : rot 1:sc= 1.2 USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= -0.04 (180deg=-0.338) USER MOD Single : A 107 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.7!) USER MOD Single : A 108 MET CE :methyl 150:sc= -1.07 (180deg=-4.07!) USER MOD Single : A 113 ASN : amide:sc= 0.968 K(o=0.97,f=0) USER MOD Single : A 122 ASN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 123 THR OG1 : rot -28:sc= 0.0782 USER MOD Single : A 130 ASN : amide:sc= 1.25 K(o=1.2,f=-0.076) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 308 N VAL A 18 1.115 9.637 6.450 1.00 0.00 N ATOM 309 CA VAL A 18 0.242 9.255 5.341 1.00 0.00 C ATOM 310 C VAL A 18 0.771 8.026 4.591 1.00 0.00 C ATOM 311 O VAL A 18 -0.001 7.277 3.999 1.00 0.00 O ATOM 312 CB VAL A 18 0.074 10.430 4.349 1.00 0.00 C ATOM 313 CG1 VAL A 18 -0.950 10.101 3.274 1.00 0.00 C ATOM 314 CG2 VAL A 18 -0.318 11.700 5.089 1.00 0.00 C ATOM 0 HA VAL A 18 -0.726 9.000 5.773 1.00 0.00 H new ATOM 0 HB VAL A 18 1.033 10.595 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.046 10.946 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.625 9.221 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.915 9.899 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.432 12.516 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.261 11.540 5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.458 11.955 5.811 1.00 0.00 H new ATOM 324 N HIS A 19 2.082 7.802 4.663 1.00 0.00 N ATOM 325 CA HIS A 19 2.733 6.712 3.922 1.00 0.00 C ATOM 326 C HIS A 19 2.146 5.343 4.264 1.00 0.00 C ATOM 327 O HIS A 19 2.191 4.427 3.445 1.00 0.00 O ATOM 328 CB HIS A 19 4.243 6.706 4.181 1.00 0.00 C ATOM 329 CG HIS A 19 4.981 7.767 3.425 1.00 0.00 C ATOM 330 ND1 HIS A 19 5.920 7.489 2.458 1.00 0.00 N ATOM 331 CD2 HIS A 19 4.910 9.118 3.497 1.00 0.00 C ATOM 332 CE1 HIS A 19 6.387 8.621 1.963 1.00 0.00 C ATOM 333 NE2 HIS A 19 5.790 9.627 2.576 1.00 0.00 N ATOM 0 H HIS A 19 2.721 8.361 5.229 1.00 0.00 H new ATOM 0 HA HIS A 19 2.546 6.899 2.864 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.422 6.840 5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.647 5.730 3.910 1.00 0.00 H new ATOM 0 HD1 HIS A 19 6.210 6.555 2.169 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.276 9.690 4.159 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.133 8.709 1.187 1.00 0.00 H new ATOM 342 N GLU A 20 1.602 5.207 5.466 1.00 0.00 N ATOM 343 CA GLU A 20 0.987 3.955 5.884 1.00 0.00 C ATOM 344 C GLU A 20 -0.508 3.965 5.562 1.00 0.00 C ATOM 345 O GLU A 20 -1.014 3.094 4.852 1.00 0.00 O ATOM 346 CB GLU A 20 1.204 3.737 7.386 1.00 0.00 C ATOM 347 CG GLU A 20 0.658 2.416 7.909 1.00 0.00 C ATOM 348 CD GLU A 20 0.803 2.277 9.414 1.00 0.00 C ATOM 349 OE1 GLU A 20 1.889 1.867 9.878 1.00 0.00 O ATOM 350 OE2 GLU A 20 -0.173 2.580 10.140 1.00 0.00 O ATOM 0 H GLU A 20 1.574 5.947 6.167 1.00 0.00 H new ATOM 0 HA GLU A 20 1.455 3.136 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.272 3.786 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.733 4.554 7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.395 2.331 7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.179 1.593 7.420 1.00 0.00 H new ATOM 357 N LEU A 21 -1.196 4.987 6.059 1.00 0.00 N ATOM 358 CA LEU A 21 -2.656 5.064 5.978 1.00 0.00 C ATOM 359 C LEU A 21 -3.159 5.176 4.538 1.00 0.00 C ATOM 360 O LEU A 21 -4.214 4.636 4.203 1.00 0.00 O ATOM 361 CB LEU A 21 -3.180 6.252 6.801 1.00 0.00 C ATOM 362 CG LEU A 21 -3.100 6.103 8.329 1.00 0.00 C ATOM 363 CD1 LEU A 21 -1.659 6.101 8.814 1.00 0.00 C ATOM 364 CD2 LEU A 21 -3.883 7.217 9.006 1.00 0.00 C ATOM 0 H LEU A 21 -0.763 5.783 6.528 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.041 4.131 6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.621 7.142 6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.220 6.427 6.527 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.542 5.143 8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.640 5.994 9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.123 5.269 8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.179 7.039 8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.819 7.101 10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.465 8.182 8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.927 7.168 8.697 1.00 0.00 H new ATOM 376 N ALA A 22 -2.405 5.860 3.685 1.00 0.00 N ATOM 377 CA ALA A 22 -2.832 6.083 2.305 1.00 0.00 C ATOM 378 C ALA A 22 -2.903 4.776 1.526 1.00 0.00 C ATOM 379 O ALA A 22 -3.734 4.619 0.631 1.00 0.00 O ATOM 380 CB ALA A 22 -1.905 7.062 1.605 1.00 0.00 C ATOM 0 H ALA A 22 -1.500 6.268 3.921 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.834 6.512 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.242 7.213 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.916 8.015 2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.891 6.662 1.598 1.00 0.00 H new ATOM 386 N ARG A 23 -2.042 3.830 1.882 1.00 0.00 N ATOM 387 CA ARG A 23 -2.011 2.541 1.205 1.00 0.00 C ATOM 388 C ARG A 23 -3.255 1.738 1.558 1.00 0.00 C ATOM 389 O ARG A 23 -3.789 0.999 0.731 1.00 0.00 O ATOM 390 CB ARG A 23 -0.743 1.769 1.579 1.00 0.00 C ATOM 391 CG ARG A 23 0.523 2.562 1.313 1.00 0.00 C ATOM 392 CD ARG A 23 1.780 1.750 1.569 1.00 0.00 C ATOM 393 NE ARG A 23 2.978 2.570 1.398 1.00 0.00 N ATOM 394 CZ ARG A 23 3.780 2.514 0.334 1.00 0.00 C ATOM 395 NH1 ARG A 23 3.558 1.618 -0.625 1.00 0.00 N ATOM 396 NH2 ARG A 23 4.809 3.345 0.232 1.00 0.00 N ATOM 0 H ARG A 23 -1.359 3.931 2.633 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.999 2.709 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.784 1.500 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.709 0.838 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.521 2.908 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.532 3.450 1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.755 1.343 2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.815 0.902 0.885 1.00 0.00 H new ATOM 0 HE ARG A 23 3.216 3.228 2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.773 0.972 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.173 1.578 -1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.988 4.028 0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.421 3.301 -0.582 1.00 0.00 H new ATOM 410 N VAL A 24 -3.721 1.916 2.787 1.00 0.00 N ATOM 411 CA VAL A 24 -4.947 1.278 3.248 1.00 0.00 C ATOM 412 C VAL A 24 -6.155 1.871 2.527 1.00 0.00 C ATOM 413 O VAL A 24 -7.080 1.153 2.140 1.00 0.00 O ATOM 414 CB VAL A 24 -5.114 1.447 4.778 1.00 0.00 C ATOM 415 CG1 VAL A 24 -6.437 0.875 5.262 1.00 0.00 C ATOM 416 CG2 VAL A 24 -3.956 0.790 5.512 1.00 0.00 C ATOM 0 H VAL A 24 -3.265 2.501 3.487 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.881 0.214 3.021 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.113 2.515 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.520 1.011 6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.259 1.391 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.482 -0.188 5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.087 0.917 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.930 -0.273 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.019 1.254 5.204 1.00 0.00 H new ATOM 426 N LYS A 25 -6.127 3.184 2.321 1.00 0.00 N ATOM 427 CA LYS A 25 -7.232 3.868 1.669 1.00 0.00 C ATOM 428 C LYS A 25 -7.296 3.519 0.183 1.00 0.00 C ATOM 429 O LYS A 25 -8.384 3.423 -0.385 1.00 0.00 O ATOM 430 CB LYS A 25 -7.133 5.384 1.857 1.00 0.00 C ATOM 431 CG LYS A 25 -8.383 6.119 1.399 1.00 0.00 C ATOM 432 CD LYS A 25 -8.357 7.587 1.782 1.00 0.00 C ATOM 433 CE LYS A 25 -9.674 8.263 1.431 1.00 0.00 C ATOM 434 NZ LYS A 25 -9.717 9.681 1.874 1.00 0.00 N ATOM 0 H LYS A 25 -5.354 3.791 2.595 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.153 3.525 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.953 5.604 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.273 5.759 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.479 6.029 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.262 5.646 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.167 7.685 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.538 8.087 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.827 8.217 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.495 7.715 1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.633 10.099 1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.598 9.726 2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.950 10.212 1.413 1.00 0.00 H new ATOM 448 N PHE A 26 -6.135 3.324 -0.448 1.00 0.00 N ATOM 449 CA PHE A 26 -6.110 2.892 -1.843 1.00 0.00 C ATOM 450 C PHE A 26 -6.798 1.542 -1.978 1.00 0.00 C ATOM 451 O PHE A 26 -7.617 1.340 -2.874 1.00 0.00 O ATOM 452 CB PHE A 26 -4.678 2.808 -2.394 1.00 0.00 C ATOM 453 CG PHE A 26 -4.629 2.252 -3.794 1.00 0.00 C ATOM 454 CD1 PHE A 26 -5.072 3.008 -4.870 1.00 0.00 C ATOM 455 CD2 PHE A 26 -4.178 0.963 -4.029 1.00 0.00 C ATOM 456 CE1 PHE A 26 -5.060 2.489 -6.152 1.00 0.00 C ATOM 457 CE2 PHE A 26 -4.172 0.437 -5.309 1.00 0.00 C ATOM 458 CZ PHE A 26 -4.612 1.201 -6.371 1.00 0.00 C ATOM 0 H PHE A 26 -5.217 3.456 -0.023 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.645 3.639 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.230 3.802 -2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.076 2.181 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.430 4.013 -4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.827 0.362 -3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.401 3.091 -6.982 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.823 -0.571 -5.477 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.606 0.793 -7.371 1.00 0.00 H new ATOM 468 N MET A 27 -6.467 0.624 -1.072 1.00 0.00 N ATOM 469 CA MET A 27 -7.129 -0.673 -1.022 1.00 0.00 C ATOM 470 C MET A 27 -8.633 -0.479 -0.918 1.00 0.00 C ATOM 471 O MET A 27 -9.382 -0.983 -1.745 1.00 0.00 O ATOM 472 CB MET A 27 -6.617 -1.495 0.160 1.00 0.00 C ATOM 473 CG MET A 27 -5.146 -1.867 0.055 1.00 0.00 C ATOM 474 SD MET A 27 -4.574 -2.807 1.481 1.00 0.00 S ATOM 475 CE MET A 27 -2.845 -3.040 1.080 1.00 0.00 C ATOM 0 H MET A 27 -5.745 0.756 -0.364 1.00 0.00 H new ATOM 0 HA MET A 27 -6.902 -1.218 -1.939 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.775 -0.931 1.079 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.208 -2.407 0.240 1.00 0.00 H new ATOM 0 HG2 MET A 27 -4.985 -2.452 -0.851 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.550 -0.959 -0.042 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.484 -3.958 1.544 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.729 -3.110 -0.001 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.268 -2.194 1.453 1.00 0.00 H new ATOM 485 N GLN A 28 -9.054 0.296 0.076 1.00 0.00 N ATOM 486 CA GLN A 28 -10.471 0.579 0.302 1.00 0.00 C ATOM 487 C GLN A 28 -11.159 1.050 -0.972 1.00 0.00 C ATOM 488 O GLN A 28 -12.166 0.477 -1.392 1.00 0.00 O ATOM 489 CB GLN A 28 -10.626 1.658 1.365 1.00 0.00 C ATOM 490 CG GLN A 28 -12.071 1.980 1.693 1.00 0.00 C ATOM 491 CD GLN A 28 -12.196 3.138 2.653 1.00 0.00 C ATOM 492 OE1 GLN A 28 -12.340 4.292 2.249 1.00 0.00 O ATOM 493 NE2 GLN A 28 -12.099 2.842 3.931 1.00 0.00 N ATOM 0 H GLN A 28 -8.428 0.744 0.745 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.938 -0.349 0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.118 1.337 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.128 2.566 1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.607 2.214 0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.548 1.100 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.980 1.872 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.142 3.583 4.631 1.00 0.00 H new ATOM 502 N ASP A 29 -10.599 2.092 -1.574 1.00 0.00 N ATOM 503 CA ASP A 29 -11.186 2.714 -2.755 1.00 0.00 C ATOM 504 C ASP A 29 -11.365 1.698 -3.876 1.00 0.00 C ATOM 505 O ASP A 29 -12.412 1.654 -4.518 1.00 0.00 O ATOM 506 CB ASP A 29 -10.304 3.872 -3.231 1.00 0.00 C ATOM 507 CG ASP A 29 -10.933 4.664 -4.364 1.00 0.00 C ATOM 508 OD1 ASP A 29 -11.681 5.624 -4.078 1.00 0.00 O ATOM 509 OD2 ASP A 29 -10.668 4.342 -5.542 1.00 0.00 O ATOM 0 H ASP A 29 -9.731 2.527 -1.260 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.169 3.099 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.106 4.540 -2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.342 3.479 -3.559 1.00 0.00 H new ATOM 514 N VAL A 30 -10.356 0.862 -4.080 1.00 0.00 N ATOM 515 CA VAL A 30 -10.373 -0.110 -5.166 1.00 0.00 C ATOM 516 C VAL A 30 -11.245 -1.324 -4.835 1.00 0.00 C ATOM 517 O VAL A 30 -11.933 -1.848 -5.711 1.00 0.00 O ATOM 518 CB VAL A 30 -8.946 -0.572 -5.527 1.00 0.00 C ATOM 519 CG1 VAL A 30 -8.973 -1.579 -6.663 1.00 0.00 C ATOM 520 CG2 VAL A 30 -8.084 0.621 -5.903 1.00 0.00 C ATOM 0 H VAL A 30 -9.513 0.837 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.808 0.395 -6.029 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.514 -1.057 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.955 -1.889 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.557 -2.449 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.426 -1.123 -7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.080 0.279 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.521 1.129 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.032 1.312 -5.061 1.00 0.00 H new ATOM 530 N VAL A 31 -11.220 -1.765 -3.578 1.00 0.00 N ATOM 531 CA VAL A 31 -12.051 -2.891 -3.145 1.00 0.00 C ATOM 532 C VAL A 31 -13.527 -2.518 -3.238 1.00 0.00 C ATOM 533 O VAL A 31 -14.364 -3.329 -3.634 1.00 0.00 O ATOM 534 CB VAL A 31 -11.734 -3.331 -1.693 1.00 0.00 C ATOM 535 CG1 VAL A 31 -12.643 -4.475 -1.266 1.00 0.00 C ATOM 536 CG2 VAL A 31 -10.278 -3.743 -1.550 1.00 0.00 C ATOM 0 H VAL A 31 -10.637 -1.363 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.827 -3.726 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.915 -2.476 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.403 -4.768 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.683 -4.152 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.495 -5.325 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.085 -4.047 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.068 -4.577 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.635 -2.901 -1.807 1.00 0.00 H new ATOM 546 N ASN A 32 -13.832 -1.277 -2.878 1.00 0.00 N ATOM 547 CA ASN A 32 -15.198 -0.777 -2.943 1.00 0.00 C ATOM 548 C ASN A 32 -15.555 -0.390 -4.372 1.00 0.00 C ATOM 549 O ASN A 32 -16.728 -0.256 -4.716 1.00 0.00 O ATOM 550 CB ASN A 32 -15.385 0.429 -2.012 1.00 0.00 C ATOM 551 CG ASN A 32 -15.411 0.053 -0.541 1.00 0.00 C ATOM 552 OD1 ASN A 32 -15.784 -1.059 -0.172 1.00 0.00 O ATOM 553 ND2 ASN A 32 -15.041 0.995 0.314 1.00 0.00 N ATOM 0 H ASN A 32 -13.150 -0.599 -2.538 1.00 0.00 H new ATOM 0 HA ASN A 32 -15.864 -1.574 -2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.577 1.141 -2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.316 0.935 -2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.060 0.809 1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.737 1.906 -0.031 1.00 0.00 H new ATOM 560 N SER A 33 -14.534 -0.205 -5.196 1.00 0.00 N ATOM 561 CA SER A 33 -14.730 0.106 -6.601 1.00 0.00 C ATOM 562 C SER A 33 -14.969 -1.170 -7.393 1.00 0.00 C ATOM 563 O SER A 33 -14.496 -2.242 -7.022 1.00 0.00 O ATOM 564 CB SER A 33 -13.508 0.841 -7.162 1.00 0.00 C ATOM 565 OG SER A 33 -13.620 1.044 -8.562 1.00 0.00 O ATOM 0 H SER A 33 -13.556 -0.266 -4.912 1.00 0.00 H new ATOM 0 HA SER A 33 -15.603 0.752 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.399 1.803 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.607 0.267 -6.948 1.00 0.00 H new ATOM 0 HG SER A 33 -12.770 0.818 -8.994 1.00 0.00 H new ATOM 571 N ASP A 34 -15.679 -1.047 -8.507 1.00 0.00 N ATOM 572 CA ASP A 34 -15.932 -2.185 -9.381 1.00 0.00 C ATOM 573 C ASP A 34 -14.621 -2.666 -10.000 1.00 0.00 C ATOM 574 O ASP A 34 -14.530 -3.786 -10.505 1.00 0.00 O ATOM 575 CB ASP A 34 -16.928 -1.799 -10.476 1.00 0.00 C ATOM 576 CG ASP A 34 -17.440 -2.999 -11.238 1.00 0.00 C ATOM 577 OD1 ASP A 34 -18.317 -3.710 -10.705 1.00 0.00 O ATOM 578 OD2 ASP A 34 -16.986 -3.230 -12.378 1.00 0.00 O ATOM 0 H ASP A 34 -16.090 -0.170 -8.827 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.362 -2.996 -8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.769 -1.270 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.451 -1.108 -11.170 1.00 0.00 H new ATOM 583 N THR A 35 -13.607 -1.804 -9.921 1.00 0.00 N ATOM 584 CA THR A 35 -12.261 -2.100 -10.401 1.00 0.00 C ATOM 585 C THR A 35 -11.768 -3.460 -9.898 1.00 0.00 C ATOM 586 O THR A 35 -11.215 -4.251 -10.665 1.00 0.00 O ATOM 587 CB THR A 35 -11.283 -0.995 -9.947 1.00 0.00 C ATOM 588 OG1 THR A 35 -11.763 0.281 -10.391 1.00 0.00 O ATOM 589 CG2 THR A 35 -9.877 -1.225 -10.490 1.00 0.00 C ATOM 0 H THR A 35 -13.700 -0.872 -9.518 1.00 0.00 H new ATOM 0 HA THR A 35 -12.299 -2.135 -11.490 1.00 0.00 H new ATOM 0 HB THR A 35 -11.231 -1.022 -8.859 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.143 0.983 -10.101 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.220 -0.426 -10.148 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.501 -2.183 -10.131 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.904 -1.231 -11.580 1.00 0.00 H new ATOM 597 N PHE A 36 -11.976 -3.738 -8.614 1.00 0.00 N ATOM 598 CA PHE A 36 -11.556 -5.016 -8.048 1.00 0.00 C ATOM 599 C PHE A 36 -12.605 -5.598 -7.107 1.00 0.00 C ATOM 600 O PHE A 36 -12.322 -6.535 -6.362 1.00 0.00 O ATOM 601 CB PHE A 36 -10.215 -4.880 -7.327 1.00 0.00 C ATOM 602 CG PHE A 36 -9.027 -5.178 -8.203 1.00 0.00 C ATOM 603 CD1 PHE A 36 -8.596 -6.483 -8.379 1.00 0.00 C ATOM 604 CD2 PHE A 36 -8.343 -4.158 -8.845 1.00 0.00 C ATOM 605 CE1 PHE A 36 -7.506 -6.765 -9.179 1.00 0.00 C ATOM 606 CE2 PHE A 36 -7.253 -4.435 -9.646 1.00 0.00 C ATOM 607 CZ PHE A 36 -6.833 -5.741 -9.814 1.00 0.00 C ATOM 0 H PHE A 36 -12.427 -3.105 -7.953 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.439 -5.709 -8.881 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.123 -3.866 -6.937 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.202 -5.554 -6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.118 -7.289 -7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.666 -3.135 -8.717 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.180 -7.787 -9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.729 -3.631 -10.141 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.981 -5.960 -10.440 1.00 0.00 H new ATOM 617 N LYS A 37 -13.827 -5.069 -7.169 1.00 0.00 N ATOM 618 CA LYS A 37 -14.936 -5.613 -6.384 1.00 0.00 C ATOM 619 C LYS A 37 -15.255 -7.036 -6.847 1.00 0.00 C ATOM 620 O LYS A 37 -15.925 -7.800 -6.147 1.00 0.00 O ATOM 621 CB LYS A 37 -16.187 -4.744 -6.536 1.00 0.00 C ATOM 622 CG LYS A 37 -17.280 -5.073 -5.530 1.00 0.00 C ATOM 623 CD LYS A 37 -18.634 -4.545 -5.976 1.00 0.00 C ATOM 624 CE LYS A 37 -19.134 -5.276 -7.212 1.00 0.00 C ATOM 625 NZ LYS A 37 -20.489 -4.825 -7.614 1.00 0.00 N ATOM 0 H LYS A 37 -14.074 -4.269 -7.751 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.637 -5.623 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.907 -3.696 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.584 -4.865 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.337 -6.153 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.024 -4.644 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.355 -4.659 -5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.559 -3.478 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.439 -5.113 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.152 -6.348 -7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.792 -5.348 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -21.159 -5.003 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.467 -3.807 -7.826 1.00 0.00 H new ATOM 639 N GLY A 38 -14.768 -7.371 -8.042 1.00 0.00 N ATOM 640 CA GLY A 38 -14.991 -8.684 -8.617 1.00 0.00 C ATOM 641 C GLY A 38 -14.474 -9.808 -7.742 1.00 0.00 C ATOM 642 O GLY A 38 -15.022 -10.910 -7.752 1.00 0.00 O ATOM 0 H GLY A 38 -14.216 -6.744 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.059 -8.824 -8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.504 -8.736 -9.591 1.00 0.00 H new ATOM 646 N GLN A 39 -13.425 -9.534 -6.981 1.00 0.00 N ATOM 647 CA GLN A 39 -12.892 -10.519 -6.059 1.00 0.00 C ATOM 648 C GLN A 39 -13.473 -10.284 -4.676 1.00 0.00 C ATOM 649 O GLN A 39 -13.429 -9.162 -4.170 1.00 0.00 O ATOM 650 CB GLN A 39 -11.363 -10.449 -5.985 1.00 0.00 C ATOM 651 CG GLN A 39 -10.664 -10.567 -7.328 1.00 0.00 C ATOM 652 CD GLN A 39 -9.186 -10.885 -7.186 1.00 0.00 C ATOM 653 OE1 GLN A 39 -8.583 -11.492 -8.071 1.00 0.00 O ATOM 654 NE2 GLN A 39 -8.595 -10.502 -6.063 1.00 0.00 N ATOM 0 H GLN A 39 -12.930 -8.642 -6.985 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.171 -11.508 -6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.077 -9.505 -5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.006 -11.246 -5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.146 -11.347 -7.918 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.781 -9.633 -7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.127 -10.001 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.608 -10.709 -5.910 1.00 0.00 H new ATOM 663 N PRO A 40 -14.046 -11.324 -4.057 1.00 0.00 N ATOM 664 CA PRO A 40 -14.569 -11.233 -2.692 1.00 0.00 C ATOM 665 C PRO A 40 -13.501 -10.727 -1.728 1.00 0.00 C ATOM 666 O PRO A 40 -13.659 -9.683 -1.094 1.00 0.00 O ATOM 667 CB PRO A 40 -14.955 -12.678 -2.361 1.00 0.00 C ATOM 668 CG PRO A 40 -15.195 -13.320 -3.682 1.00 0.00 C ATOM 669 CD PRO A 40 -14.238 -12.666 -4.637 1.00 0.00 C ATOM 0 HA PRO A 40 -15.402 -10.536 -2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.160 -13.184 -1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.847 -12.716 -1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.022 -14.395 -3.631 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.227 -13.178 -4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.298 -13.214 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.648 -12.614 -5.645 1.00 0.00 H new ATOM 677 N ILE A 41 -12.406 -11.469 -1.651 1.00 0.00 N ATOM 678 CA ILE A 41 -11.255 -11.081 -0.853 1.00 0.00 C ATOM 679 C ILE A 41 -9.995 -11.177 -1.716 1.00 0.00 C ATOM 680 O ILE A 41 -9.959 -11.940 -2.683 1.00 0.00 O ATOM 681 CB ILE A 41 -11.123 -11.969 0.413 1.00 0.00 C ATOM 682 CG1 ILE A 41 -12.368 -11.828 1.298 1.00 0.00 C ATOM 683 CG2 ILE A 41 -9.878 -11.612 1.211 1.00 0.00 C ATOM 684 CD1 ILE A 41 -12.604 -10.416 1.797 1.00 0.00 C ATOM 0 H ILE A 41 -12.292 -12.357 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.388 -10.054 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.033 -13.004 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.242 -12.156 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.272 -12.495 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.814 -12.252 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.994 -11.759 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.933 -10.569 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.501 -10.394 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.748 -10.091 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.733 -9.746 0.947 1.00 0.00 H new ATOM 696 N PHE A 42 -8.979 -10.400 -1.380 1.00 0.00 N ATOM 697 CA PHE A 42 -7.773 -10.313 -2.193 1.00 0.00 C ATOM 698 C PHE A 42 -6.758 -11.397 -1.821 1.00 0.00 C ATOM 699 O PHE A 42 -7.096 -12.383 -1.161 1.00 0.00 O ATOM 700 CB PHE A 42 -7.168 -8.912 -2.054 1.00 0.00 C ATOM 701 CG PHE A 42 -7.910 -7.873 -2.845 1.00 0.00 C ATOM 702 CD1 PHE A 42 -9.226 -7.560 -2.546 1.00 0.00 C ATOM 703 CD2 PHE A 42 -7.290 -7.215 -3.893 1.00 0.00 C ATOM 704 CE1 PHE A 42 -9.910 -6.613 -3.279 1.00 0.00 C ATOM 705 CE2 PHE A 42 -7.969 -6.265 -4.628 1.00 0.00 C ATOM 706 CZ PHE A 42 -9.280 -5.965 -4.321 1.00 0.00 C ATOM 0 H PHE A 42 -8.964 -9.816 -0.544 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.042 -10.484 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.164 -8.626 -1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.129 -8.937 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.722 -8.063 -1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.264 -7.448 -4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.936 -6.379 -3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.475 -5.757 -5.443 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.813 -5.223 -4.897 1.00 0.00 H new ATOM 716 N ASP A 43 -5.520 -11.222 -2.276 1.00 0.00 N ATOM 717 CA ASP A 43 -4.468 -12.203 -2.058 1.00 0.00 C ATOM 718 C ASP A 43 -3.229 -11.509 -1.526 1.00 0.00 C ATOM 719 O ASP A 43 -3.104 -10.291 -1.642 1.00 0.00 O ATOM 720 CB ASP A 43 -4.108 -12.902 -3.371 1.00 0.00 C ATOM 721 CG ASP A 43 -5.314 -13.419 -4.120 1.00 0.00 C ATOM 722 OD1 ASP A 43 -5.943 -12.620 -4.850 1.00 0.00 O ATOM 723 OD2 ASP A 43 -5.629 -14.621 -3.989 1.00 0.00 O ATOM 0 H ASP A 43 -5.222 -10.401 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.828 -12.940 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.564 -12.205 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.435 -13.733 -3.160 1.00 0.00 H new ATOM 728 N HIS A 44 -2.303 -12.279 -0.971 1.00 0.00 N ATOM 729 CA HIS A 44 -1.024 -11.729 -0.539 1.00 0.00 C ATOM 730 C HIS A 44 -0.174 -11.383 -1.756 1.00 0.00 C ATOM 731 O HIS A 44 0.625 -10.453 -1.721 1.00 0.00 O ATOM 732 CB HIS A 44 -0.279 -12.706 0.375 1.00 0.00 C ATOM 733 CG HIS A 44 -0.952 -12.929 1.698 1.00 0.00 C ATOM 734 ND1 HIS A 44 -1.047 -14.166 2.294 1.00 0.00 N ATOM 735 CD2 HIS A 44 -1.553 -12.059 2.545 1.00 0.00 C ATOM 736 CE1 HIS A 44 -1.683 -14.052 3.445 1.00 0.00 C ATOM 737 NE2 HIS A 44 -1.998 -12.784 3.621 1.00 0.00 N ATOM 0 H HIS A 44 -2.411 -13.280 -0.810 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.216 -10.822 0.034 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.178 -13.663 -0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.729 -12.330 0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.661 -10.994 2.400 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.907 -14.860 4.126 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.493 -12.403 4.428 1.00 0.00 H new ATOM 746 N ALA A 45 -0.371 -12.121 -2.842 1.00 0.00 N ATOM 747 CA ALA A 45 0.274 -11.796 -4.108 1.00 0.00 C ATOM 748 C ALA A 45 -0.279 -10.486 -4.647 1.00 0.00 C ATOM 749 O ALA A 45 0.430 -9.703 -5.283 1.00 0.00 O ATOM 750 CB ALA A 45 0.071 -12.918 -5.114 1.00 0.00 C ATOM 0 H ALA A 45 -0.970 -12.946 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 45 1.345 -11.683 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.559 -12.658 -6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.503 -13.839 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.995 -13.063 -5.288 1.00 0.00 H new ATOM 756 N HIS A 46 -1.553 -10.244 -4.368 1.00 0.00 N ATOM 757 CA HIS A 46 -2.181 -8.988 -4.737 1.00 0.00 C ATOM 758 C HIS A 46 -1.791 -7.892 -3.753 1.00 0.00 C ATOM 759 O HIS A 46 -1.974 -6.710 -4.030 1.00 0.00 O ATOM 760 CB HIS A 46 -3.704 -9.136 -4.834 1.00 0.00 C ATOM 761 CG HIS A 46 -4.156 -9.632 -6.176 1.00 0.00 C ATOM 762 ND1 HIS A 46 -4.874 -10.796 -6.366 1.00 0.00 N ATOM 763 CD2 HIS A 46 -3.976 -9.105 -7.409 1.00 0.00 C ATOM 764 CE1 HIS A 46 -5.109 -10.957 -7.656 1.00 0.00 C ATOM 765 NE2 HIS A 46 -4.575 -9.944 -8.312 1.00 0.00 N ATOM 0 H HIS A 46 -2.168 -10.901 -3.888 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.821 -8.702 -5.725 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.047 -9.825 -4.063 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.172 -8.172 -4.632 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.175 -11.431 -5.627 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.454 -8.188 -7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.648 -11.781 -8.100 1.00 0.00 H new ATOM 774 N THR A 47 -1.248 -8.295 -2.605 1.00 0.00 N ATOM 775 CA THR A 47 -0.642 -7.356 -1.672 1.00 0.00 C ATOM 776 C THR A 47 0.579 -6.713 -2.311 1.00 0.00 C ATOM 777 O THR A 47 0.661 -5.493 -2.409 1.00 0.00 O ATOM 778 CB THR A 47 -0.221 -8.041 -0.353 1.00 0.00 C ATOM 779 OG1 THR A 47 -1.379 -8.477 0.373 1.00 0.00 O ATOM 780 CG2 THR A 47 0.620 -7.104 0.507 1.00 0.00 C ATOM 0 H THR A 47 -1.217 -9.268 -2.301 1.00 0.00 H new ATOM 0 HA THR A 47 -1.391 -6.600 -1.437 1.00 0.00 H new ATOM 0 HB THR A 47 0.388 -8.910 -0.602 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.099 -8.911 1.206 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.902 -7.612 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.519 -6.817 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.041 -6.212 0.747 1.00 0.00 H new ATOM 788 N ARG A 48 1.517 -7.547 -2.762 1.00 0.00 N ATOM 789 CA ARG A 48 2.709 -7.061 -3.448 1.00 0.00 C ATOM 790 C ARG A 48 2.313 -6.178 -4.621 1.00 0.00 C ATOM 791 O ARG A 48 2.917 -5.140 -4.862 1.00 0.00 O ATOM 792 CB ARG A 48 3.559 -8.230 -3.954 1.00 0.00 C ATOM 793 CG ARG A 48 4.832 -7.795 -4.668 1.00 0.00 C ATOM 794 CD ARG A 48 5.595 -8.981 -5.239 1.00 0.00 C ATOM 795 NE ARG A 48 4.806 -9.716 -6.228 1.00 0.00 N ATOM 796 CZ ARG A 48 5.279 -10.717 -6.972 1.00 0.00 C ATOM 797 NH1 ARG A 48 6.550 -11.090 -6.886 1.00 0.00 N ATOM 798 NH2 ARG A 48 4.473 -11.341 -7.821 1.00 0.00 N ATOM 0 H ARG A 48 1.472 -8.561 -2.663 1.00 0.00 H new ATOM 0 HA ARG A 48 3.297 -6.480 -2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.825 -8.867 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.960 -8.836 -4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.579 -7.104 -5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.472 -7.253 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.518 -8.630 -5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.879 -9.653 -4.429 1.00 0.00 H new ATOM 0 HE ARG A 48 3.831 -9.445 -6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.180 -10.609 -6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.896 -11.857 -7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.497 -11.055 -7.902 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.829 -12.107 -8.393 1.00 0.00 H new ATOM 812 N GLU A 49 1.276 -6.599 -5.329 1.00 0.00 N ATOM 813 CA GLU A 49 0.797 -5.880 -6.498 1.00 0.00 C ATOM 814 C GLU A 49 0.242 -4.504 -6.112 1.00 0.00 C ATOM 815 O GLU A 49 0.538 -3.500 -6.763 1.00 0.00 O ATOM 816 CB GLU A 49 -0.269 -6.716 -7.202 1.00 0.00 C ATOM 817 CG GLU A 49 -0.635 -6.204 -8.582 1.00 0.00 C ATOM 818 CD GLU A 49 -1.647 -7.087 -9.274 1.00 0.00 C ATOM 819 OE1 GLU A 49 -1.258 -8.159 -9.783 1.00 0.00 O ATOM 820 OE2 GLU A 49 -2.834 -6.712 -9.319 1.00 0.00 O ATOM 0 H GLU A 49 0.746 -7.443 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 49 1.633 -5.715 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.086 -7.743 -7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.166 -6.740 -6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.036 -5.194 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.265 -6.140 -9.193 1.00 0.00 H new ATOM 827 N PHE A 50 -0.551 -4.459 -5.046 1.00 0.00 N ATOM 828 CA PHE A 50 -1.136 -3.206 -4.573 1.00 0.00 C ATOM 829 C PHE A 50 -0.086 -2.315 -3.921 1.00 0.00 C ATOM 830 O PHE A 50 -0.113 -1.091 -4.067 1.00 0.00 O ATOM 831 CB PHE A 50 -2.284 -3.480 -3.599 1.00 0.00 C ATOM 832 CG PHE A 50 -3.635 -3.459 -4.257 1.00 0.00 C ATOM 833 CD1 PHE A 50 -3.900 -4.254 -5.360 1.00 0.00 C ATOM 834 CD2 PHE A 50 -4.634 -2.629 -3.778 1.00 0.00 C ATOM 835 CE1 PHE A 50 -5.138 -4.220 -5.973 1.00 0.00 C ATOM 836 CE2 PHE A 50 -5.874 -2.593 -4.383 1.00 0.00 C ATOM 837 CZ PHE A 50 -6.125 -3.388 -5.484 1.00 0.00 C ATOM 0 H PHE A 50 -0.804 -5.277 -4.491 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.533 -2.678 -5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.130 -4.452 -3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.263 -2.735 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.131 -4.907 -5.745 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.441 -2.002 -2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.333 -4.843 -6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.646 -1.945 -3.996 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.093 -3.359 -5.962 1.00 0.00 H new ATOM 847 N ILE A 51 0.840 -2.924 -3.202 1.00 0.00 N ATOM 848 CA ILE A 51 1.929 -2.179 -2.601 1.00 0.00 C ATOM 849 C ILE A 51 2.846 -1.612 -3.686 1.00 0.00 C ATOM 850 O ILE A 51 3.234 -0.445 -3.634 1.00 0.00 O ATOM 851 CB ILE A 51 2.742 -3.048 -1.610 1.00 0.00 C ATOM 852 CG1 ILE A 51 1.908 -3.359 -0.357 1.00 0.00 C ATOM 853 CG2 ILE A 51 4.040 -2.358 -1.220 1.00 0.00 C ATOM 854 CD1 ILE A 51 1.388 -2.126 0.357 1.00 0.00 C ATOM 0 H ILE A 51 0.859 -3.928 -3.021 1.00 0.00 H new ATOM 0 HA ILE A 51 1.493 -1.356 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 51 2.989 -3.985 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.063 -3.986 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.516 -3.940 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.592 -2.989 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.643 -2.187 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.816 -1.403 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.810 -2.428 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.228 -1.508 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.752 -1.555 -0.320 1.00 0.00 H new ATOM 866 N GLN A 52 3.149 -2.437 -4.688 1.00 0.00 N ATOM 867 CA GLN A 52 4.045 -2.047 -5.775 1.00 0.00 C ATOM 868 C GLN A 52 3.461 -0.903 -6.600 1.00 0.00 C ATOM 869 O GLN A 52 4.194 -0.013 -7.028 1.00 0.00 O ATOM 870 CB GLN A 52 4.340 -3.245 -6.684 1.00 0.00 C ATOM 871 CG GLN A 52 5.308 -2.941 -7.818 1.00 0.00 C ATOM 872 CD GLN A 52 6.666 -2.481 -7.324 1.00 0.00 C ATOM 873 OE1 GLN A 52 7.570 -3.288 -7.106 1.00 0.00 O ATOM 874 NE2 GLN A 52 6.820 -1.178 -7.144 1.00 0.00 N ATOM 0 H GLN A 52 2.784 -3.386 -4.769 1.00 0.00 H new ATOM 0 HA GLN A 52 4.975 -1.701 -5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.749 -4.054 -6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.403 -3.605 -7.108 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.433 -3.833 -8.432 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.879 -2.170 -8.459 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.046 -0.542 -7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.712 -0.811 -6.813 1.00 0.00 H new ATOM 883 N SER A 53 2.154 -0.918 -6.819 1.00 0.00 N ATOM 884 CA SER A 53 1.506 0.140 -7.584 1.00 0.00 C ATOM 885 C SER A 53 1.542 1.462 -6.817 1.00 0.00 C ATOM 886 O SER A 53 1.726 2.534 -7.403 1.00 0.00 O ATOM 887 CB SER A 53 0.072 -0.259 -7.937 1.00 0.00 C ATOM 888 OG SER A 53 -0.553 -0.926 -6.857 1.00 0.00 O ATOM 0 H SER A 53 1.524 -1.645 -6.481 1.00 0.00 H new ATOM 0 HA SER A 53 2.055 0.283 -8.515 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.501 0.630 -8.200 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.077 -0.906 -8.814 1.00 0.00 H new ATOM 0 HG SER A 53 -0.310 -1.875 -6.874 1.00 0.00 H new ATOM 894 N PHE A 54 1.406 1.389 -5.498 1.00 0.00 N ATOM 895 CA PHE A 54 1.524 2.579 -4.671 1.00 0.00 C ATOM 896 C PHE A 54 2.970 3.081 -4.688 1.00 0.00 C ATOM 897 O PHE A 54 3.231 4.263 -4.493 1.00 0.00 O ATOM 898 CB PHE A 54 1.068 2.293 -3.238 1.00 0.00 C ATOM 899 CG PHE A 54 0.721 3.536 -2.466 1.00 0.00 C ATOM 900 CD1 PHE A 54 1.691 4.225 -1.755 1.00 0.00 C ATOM 901 CD2 PHE A 54 -0.577 4.017 -2.458 1.00 0.00 C ATOM 902 CE1 PHE A 54 1.372 5.370 -1.053 1.00 0.00 C ATOM 903 CE2 PHE A 54 -0.903 5.162 -1.759 1.00 0.00 C ATOM 904 CZ PHE A 54 0.073 5.840 -1.055 1.00 0.00 C ATOM 0 H PHE A 54 1.216 0.528 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 54 0.876 3.355 -5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.199 1.636 -3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.858 1.756 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.708 3.862 -1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.344 3.490 -3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.137 5.898 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.919 5.527 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.179 6.736 -0.507 1.00 0.00 H new ATOM 914 N ILE A 55 3.903 2.169 -4.939 1.00 0.00 N ATOM 915 CA ILE A 55 5.309 2.531 -5.097 1.00 0.00 C ATOM 916 C ILE A 55 5.567 2.990 -6.537 1.00 0.00 C ATOM 917 O ILE A 55 6.569 3.624 -6.844 1.00 0.00 O ATOM 918 CB ILE A 55 6.239 1.346 -4.731 1.00 0.00 C ATOM 919 CG1 ILE A 55 5.961 0.881 -3.299 1.00 0.00 C ATOM 920 CG2 ILE A 55 7.706 1.732 -4.879 1.00 0.00 C ATOM 921 CD1 ILE A 55 6.752 -0.343 -2.889 1.00 0.00 C ATOM 0 H ILE A 55 3.712 1.172 -5.038 1.00 0.00 H new ATOM 0 HA ILE A 55 5.533 3.350 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 55 6.032 0.528 -5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.188 1.696 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.897 0.666 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.334 0.881 -4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.903 2.023 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.931 2.568 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.501 -0.611 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.507 -1.173 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.818 -0.127 -2.957 1.00 0.00 H new ATOM 933 N GLU A 56 4.646 2.670 -7.429 1.00 0.00 N ATOM 934 CA GLU A 56 4.723 3.171 -8.790 1.00 0.00 C ATOM 935 C GLU A 56 4.292 4.631 -8.807 1.00 0.00 C ATOM 936 O GLU A 56 4.622 5.381 -9.726 1.00 0.00 O ATOM 937 CB GLU A 56 3.847 2.343 -9.732 1.00 0.00 C ATOM 938 CG GLU A 56 4.006 2.723 -11.194 1.00 0.00 C ATOM 939 CD GLU A 56 3.084 1.946 -12.101 1.00 0.00 C ATOM 940 OE1 GLU A 56 3.422 0.795 -12.451 1.00 0.00 O ATOM 941 OE2 GLU A 56 2.021 2.482 -12.472 1.00 0.00 O ATOM 0 H GLU A 56 3.843 2.071 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 56 5.752 3.089 -9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.092 1.288 -9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.803 2.463 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.811 3.789 -11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.038 2.552 -11.499 1.00 0.00 H new ATOM 948 N ARG A 57 3.545 5.023 -7.778 1.00 0.00 N ATOM 949 CA ARG A 57 3.161 6.418 -7.597 1.00 0.00 C ATOM 950 C ARG A 57 4.380 7.340 -7.614 1.00 0.00 C ATOM 951 O ARG A 57 4.423 8.289 -8.393 1.00 0.00 O ATOM 952 CB ARG A 57 2.409 6.623 -6.285 1.00 0.00 C ATOM 953 CG ARG A 57 2.160 8.090 -5.992 1.00 0.00 C ATOM 954 CD ARG A 57 1.893 8.346 -4.525 1.00 0.00 C ATOM 955 NE ARG A 57 2.320 9.691 -4.154 1.00 0.00 N ATOM 956 CZ ARG A 57 1.642 10.502 -3.354 1.00 0.00 C ATOM 957 NH1 ARG A 57 0.500 10.103 -2.810 1.00 0.00 N ATOM 958 NH2 ARG A 57 2.112 11.719 -3.103 1.00 0.00 N ATOM 0 H ARG A 57 3.194 4.393 -7.057 1.00 0.00 H new ATOM 0 HA ARG A 57 2.507 6.670 -8.431 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.456 6.096 -6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.980 6.183 -5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.025 8.673 -6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.310 8.436 -6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.830 8.225 -4.317 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.422 7.610 -3.919 1.00 0.00 H new ATOM 0 HE ARG A 57 3.202 10.031 -4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.140 9.169 -3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.019 10.730 -2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.989 12.024 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.596 12.348 -2.488 1.00 0.00 H new ATOM 972 N ASP A 58 5.370 7.064 -6.763 1.00 0.00 N ATOM 973 CA ASP A 58 6.555 7.923 -6.686 1.00 0.00 C ATOM 974 C ASP A 58 7.358 7.852 -7.976 1.00 0.00 C ATOM 975 O ASP A 58 8.013 8.817 -8.357 1.00 0.00 O ATOM 976 CB ASP A 58 7.445 7.580 -5.482 1.00 0.00 C ATOM 977 CG ASP A 58 7.884 6.132 -5.446 1.00 0.00 C ATOM 978 OD1 ASP A 58 8.908 5.800 -6.083 1.00 0.00 O ATOM 979 OD2 ASP A 58 7.208 5.330 -4.772 1.00 0.00 O ATOM 0 H ASP A 58 5.377 6.267 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 58 6.199 8.944 -6.547 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.328 8.218 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.904 7.810 -4.564 1.00 0.00 H new ATOM 984 N ASP A 59 7.280 6.719 -8.660 1.00 0.00 N ATOM 985 CA ASP A 59 7.888 6.583 -9.980 1.00 0.00 C ATOM 986 C ASP A 59 7.161 7.479 -10.983 1.00 0.00 C ATOM 987 O ASP A 59 7.748 7.967 -11.948 1.00 0.00 O ATOM 988 CB ASP A 59 7.847 5.125 -10.440 1.00 0.00 C ATOM 989 CG ASP A 59 8.365 4.947 -11.853 1.00 0.00 C ATOM 990 OD1 ASP A 59 9.591 5.055 -12.063 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.544 4.691 -12.762 1.00 0.00 O ATOM 0 H ASP A 59 6.803 5.882 -8.325 1.00 0.00 H new ATOM 0 HA ASP A 59 8.931 6.894 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.442 4.516 -9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.822 4.758 -10.383 1.00 0.00 H new ATOM 996 N THR A 60 5.881 7.711 -10.724 1.00 0.00 N ATOM 997 CA THR A 60 5.073 8.588 -11.557 1.00 0.00 C ATOM 998 C THR A 60 5.307 10.052 -11.168 1.00 0.00 C ATOM 999 O THR A 60 5.167 10.957 -11.989 1.00 0.00 O ATOM 1000 CB THR A 60 3.577 8.231 -11.437 1.00 0.00 C ATOM 1001 OG1 THR A 60 3.399 6.821 -11.646 1.00 0.00 O ATOM 1002 CG2 THR A 60 2.741 9.000 -12.451 1.00 0.00 C ATOM 0 H THR A 60 5.378 7.300 -9.937 1.00 0.00 H new ATOM 0 HA THR A 60 5.373 8.449 -12.596 1.00 0.00 H new ATOM 0 HB THR A 60 3.243 8.507 -10.437 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.684 6.333 -10.845 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.692 8.726 -12.340 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.856 10.070 -12.281 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.076 8.755 -13.459 1.00 0.00 H new ATOM 1010 N GLU A 61 5.681 10.280 -9.912 1.00 0.00 N ATOM 1011 CA GLU A 61 6.087 11.609 -9.473 1.00 0.00 C ATOM 1012 C GLU A 61 7.476 11.910 -10.028 1.00 0.00 C ATOM 1013 O GLU A 61 7.787 13.040 -10.407 1.00 0.00 O ATOM 1014 CB GLU A 61 6.078 11.697 -7.940 1.00 0.00 C ATOM 1015 CG GLU A 61 4.697 11.490 -7.331 1.00 0.00 C ATOM 1016 CD GLU A 61 4.699 11.525 -5.813 1.00 0.00 C ATOM 1017 OE1 GLU A 61 4.709 12.631 -5.235 1.00 0.00 O ATOM 1018 OE2 GLU A 61 4.673 10.444 -5.187 1.00 0.00 O ATOM 0 H GLU A 61 5.711 9.565 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 61 5.381 12.350 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.761 10.949 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.458 12.673 -7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.023 12.261 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.300 10.531 -7.665 1.00 0.00 H new ATOM 1025 N LEU A 62 8.292 10.866 -10.093 1.00 0.00 N ATOM 1026 CA LEU A 62 9.611 10.932 -10.708 1.00 0.00 C ATOM 1027 C LEU A 62 9.478 11.083 -12.222 1.00 0.00 C ATOM 1028 O LEU A 62 10.381 11.579 -12.898 1.00 0.00 O ATOM 1029 CB LEU A 62 10.392 9.659 -10.359 1.00 0.00 C ATOM 1030 CG LEU A 62 11.825 9.574 -10.884 1.00 0.00 C ATOM 1031 CD1 LEU A 62 12.673 10.712 -10.337 1.00 0.00 C ATOM 1032 CD2 LEU A 62 12.433 8.231 -10.509 1.00 0.00 C ATOM 0 H LEU A 62 8.057 9.947 -9.719 1.00 0.00 H new ATOM 0 HA LEU A 62 10.151 11.799 -10.327 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.420 9.562 -9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.837 8.802 -10.741 1.00 0.00 H new ATOM 0 HG LEU A 62 11.802 9.664 -11.970 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.688 10.629 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.244 11.666 -10.644 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.696 10.658 -9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.454 8.176 -10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.440 8.125 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.841 7.428 -10.948 1.00 0.00 H new ATOM 1044 N ASP A 63 8.325 10.671 -12.739 1.00 0.00 N ATOM 1045 CA ASP A 63 8.041 10.750 -14.167 1.00 0.00 C ATOM 1046 C ASP A 63 8.005 12.201 -14.632 1.00 0.00 C ATOM 1047 O ASP A 63 8.288 12.492 -15.792 1.00 0.00 O ATOM 1048 CB ASP A 63 6.712 10.061 -14.483 1.00 0.00 C ATOM 1049 CG ASP A 63 6.400 10.035 -15.965 1.00 0.00 C ATOM 1050 OD1 ASP A 63 6.970 9.181 -16.681 1.00 0.00 O ATOM 1051 OD2 ASP A 63 5.577 10.854 -16.424 1.00 0.00 O ATOM 0 H ASP A 63 7.566 10.276 -12.184 1.00 0.00 H new ATOM 0 HA ASP A 63 8.840 10.237 -14.703 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.739 9.039 -14.104 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.908 10.575 -13.956 1.00 0.00 H new ATOM 1056 N GLU A 64 7.670 13.111 -13.717 1.00 0.00 N ATOM 1057 CA GLU A 64 7.697 14.536 -14.021 1.00 0.00 C ATOM 1058 C GLU A 64 9.113 14.986 -14.351 1.00 0.00 C ATOM 1059 O GLU A 64 9.327 15.717 -15.314 1.00 0.00 O ATOM 1060 CB GLU A 64 7.148 15.372 -12.865 1.00 0.00 C ATOM 1061 CG GLU A 64 5.636 15.326 -12.746 1.00 0.00 C ATOM 1062 CD GLU A 64 5.092 16.408 -11.835 1.00 0.00 C ATOM 1063 OE1 GLU A 64 5.360 17.602 -12.098 1.00 0.00 O ATOM 1064 OE2 GLU A 64 4.375 16.075 -10.868 1.00 0.00 O ATOM 0 H GLU A 64 7.379 12.886 -12.766 1.00 0.00 H new ATOM 0 HA GLU A 64 7.056 14.693 -14.889 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.588 15.020 -11.932 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.462 16.408 -12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.193 15.433 -13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.334 14.350 -12.366 1.00 0.00 H new ATOM 1071 N LEU A 65 10.078 14.532 -13.562 1.00 0.00 N ATOM 1072 CA LEU A 65 11.476 14.863 -13.804 1.00 0.00 C ATOM 1073 C LEU A 65 11.922 14.264 -15.134 1.00 0.00 C ATOM 1074 O LEU A 65 12.711 14.857 -15.864 1.00 0.00 O ATOM 1075 CB LEU A 65 12.356 14.353 -12.655 1.00 0.00 C ATOM 1076 CG LEU A 65 12.020 14.930 -11.276 1.00 0.00 C ATOM 1077 CD1 LEU A 65 12.892 14.297 -10.203 1.00 0.00 C ATOM 1078 CD2 LEU A 65 12.192 16.441 -11.277 1.00 0.00 C ATOM 0 H LEU A 65 9.919 13.935 -12.751 1.00 0.00 H new ATOM 0 HA LEU A 65 11.583 15.947 -13.853 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.272 13.267 -12.608 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.396 14.583 -12.885 1.00 0.00 H new ATOM 0 HG LEU A 65 10.979 14.699 -11.052 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.638 14.720 -9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.723 13.220 -10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.941 14.496 -10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.949 16.835 -10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.224 16.690 -11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.526 16.883 -12.018 1.00 0.00 H new ATOM 1267 N PRO A 75 17.066 17.370 -11.839 1.00 0.00 N ATOM 1268 CA PRO A 75 18.069 17.780 -10.860 1.00 0.00 C ATOM 1269 C PRO A 75 18.493 16.614 -9.997 1.00 0.00 C ATOM 1270 O PRO A 75 17.645 15.873 -9.511 1.00 0.00 O ATOM 1271 CB PRO A 75 17.338 18.795 -9.979 1.00 0.00 C ATOM 1272 CG PRO A 75 16.114 19.174 -10.744 1.00 0.00 C ATOM 1273 CD PRO A 75 15.753 17.966 -11.555 1.00 0.00 C ATOM 0 HA PRO A 75 18.964 18.174 -11.342 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.079 18.362 -9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.963 19.666 -9.781 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.302 19.451 -10.072 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.304 20.034 -11.386 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.109 17.283 -11.001 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.223 18.234 -12.469 1.00 0.00 H new ATOM 1281 N SER A 76 19.784 16.451 -9.786 1.00 0.00 N ATOM 1282 CA SER A 76 20.261 15.436 -8.864 1.00 0.00 C ATOM 1283 C SER A 76 19.747 15.744 -7.460 1.00 0.00 C ATOM 1284 O SER A 76 19.364 14.847 -6.715 1.00 0.00 O ATOM 1285 CB SER A 76 21.787 15.372 -8.884 1.00 0.00 C ATOM 1286 OG SER A 76 22.263 15.147 -10.202 1.00 0.00 O ATOM 0 H SER A 76 20.516 17.001 -10.235 1.00 0.00 H new ATOM 0 HA SER A 76 19.882 14.461 -9.172 1.00 0.00 H new ATOM 0 HB2 SER A 76 22.200 16.304 -8.497 1.00 0.00 H new ATOM 0 HB3 SER A 76 22.131 14.573 -8.227 1.00 0.00 H new ATOM 0 HG SER A 76 23.242 15.111 -10.194 1.00 0.00 H new ATOM 1292 N ASN A 77 19.684 17.032 -7.129 1.00 0.00 N ATOM 1293 CA ASN A 77 19.197 17.467 -5.822 1.00 0.00 C ATOM 1294 C ASN A 77 17.750 17.041 -5.591 1.00 0.00 C ATOM 1295 O ASN A 77 17.347 16.785 -4.459 1.00 0.00 O ATOM 1296 CB ASN A 77 19.308 18.988 -5.665 1.00 0.00 C ATOM 1297 CG ASN A 77 20.738 19.465 -5.516 1.00 0.00 C ATOM 1298 OD1 ASN A 77 21.405 19.795 -6.497 1.00 0.00 O ATOM 1299 ND2 ASN A 77 21.223 19.505 -4.286 1.00 0.00 N ATOM 0 H ASN A 77 19.964 17.793 -7.748 1.00 0.00 H new ATOM 0 HA ASN A 77 19.828 16.984 -5.076 1.00 0.00 H new ATOM 0 HB2 ASN A 77 18.858 19.471 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 77 18.734 19.301 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 77 22.181 19.817 -4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 77 20.639 19.224 -3.498 1.00 0.00 H new ATOM 1306 N ARG A 78 16.972 16.959 -6.662 1.00 0.00 N ATOM 1307 CA ARG A 78 15.564 16.606 -6.542 1.00 0.00 C ATOM 1308 C ARG A 78 15.341 15.126 -6.843 1.00 0.00 C ATOM 1309 O ARG A 78 14.692 14.427 -6.068 1.00 0.00 O ATOM 1310 CB ARG A 78 14.709 17.472 -7.472 1.00 0.00 C ATOM 1311 CG ARG A 78 14.768 18.957 -7.141 1.00 0.00 C ATOM 1312 CD ARG A 78 14.382 19.220 -5.695 1.00 0.00 C ATOM 1313 NE ARG A 78 14.441 20.641 -5.353 1.00 0.00 N ATOM 1314 CZ ARG A 78 14.764 21.101 -4.142 1.00 0.00 C ATOM 1315 NH1 ARG A 78 15.132 20.259 -3.184 1.00 0.00 N ATOM 1316 NH2 ARG A 78 14.731 22.404 -3.890 1.00 0.00 N ATOM 0 H ARG A 78 17.289 17.131 -7.616 1.00 0.00 H new ATOM 0 HA ARG A 78 15.259 16.794 -5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.039 17.323 -8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.673 17.136 -7.418 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.775 19.332 -7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.098 19.506 -7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.373 18.848 -5.517 1.00 0.00 H new ATOM 0 HD3 ARG A 78 15.048 18.662 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 78 14.223 21.320 -6.082 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.169 19.257 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.378 20.614 -2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.458 23.058 -4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.979 22.751 -2.963 1.00 0.00 H new ATOM 1330 N GLN A 79 15.894 14.657 -7.958 1.00 0.00 N ATOM 1331 CA GLN A 79 15.758 13.263 -8.375 1.00 0.00 C ATOM 1332 C GLN A 79 16.276 12.318 -7.299 1.00 0.00 C ATOM 1333 O GLN A 79 15.632 11.321 -6.972 1.00 0.00 O ATOM 1334 CB GLN A 79 16.529 13.027 -9.674 1.00 0.00 C ATOM 1335 CG GLN A 79 16.352 11.633 -10.257 1.00 0.00 C ATOM 1336 CD GLN A 79 17.262 11.381 -11.444 1.00 0.00 C ATOM 1337 OE1 GLN A 79 17.637 12.305 -12.162 1.00 0.00 O ATOM 1338 NE2 GLN A 79 17.617 10.127 -11.665 1.00 0.00 N ATOM 0 H GLN A 79 16.447 15.229 -8.596 1.00 0.00 H new ATOM 0 HA GLN A 79 14.699 13.061 -8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 79 16.208 13.762 -10.413 1.00 0.00 H new ATOM 0 HB3 GLN A 79 17.589 13.201 -9.491 1.00 0.00 H new ATOM 0 HG2 GLN A 79 16.554 10.891 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 79 15.315 11.500 -10.564 1.00 0.00 H new ATOM 0 HE21 GLN A 79 17.285 9.387 -11.047 1.00 0.00 H new ATOM 0 HE22 GLN A 79 18.222 9.900 -12.454 1.00 0.00 H new ATOM 1347 N VAL A 80 17.432 12.645 -6.736 1.00 0.00 N ATOM 1348 CA VAL A 80 18.040 11.781 -5.730 1.00 0.00 C ATOM 1349 C VAL A 80 17.263 11.863 -4.418 1.00 0.00 C ATOM 1350 O VAL A 80 17.010 10.847 -3.773 1.00 0.00 O ATOM 1351 CB VAL A 80 19.530 12.122 -5.489 1.00 0.00 C ATOM 1352 CG1 VAL A 80 20.110 11.280 -4.359 1.00 0.00 C ATOM 1353 CG2 VAL A 80 20.333 11.917 -6.765 1.00 0.00 C ATOM 0 H VAL A 80 17.962 13.489 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 80 17.996 10.761 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 80 19.593 13.170 -5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.158 11.541 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.556 11.472 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.032 10.223 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 80 21.379 12.161 -6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.253 10.877 -7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 80 19.943 12.566 -7.549 1.00 0.00 H new ATOM 1363 N LEU A 81 16.855 13.073 -4.052 1.00 0.00 N ATOM 1364 CA LEU A 81 16.094 13.288 -2.826 1.00 0.00 C ATOM 1365 C LEU A 81 14.769 12.533 -2.883 1.00 0.00 C ATOM 1366 O LEU A 81 14.343 11.924 -1.899 1.00 0.00 O ATOM 1367 CB LEU A 81 15.836 14.783 -2.619 1.00 0.00 C ATOM 1368 CG LEU A 81 15.233 15.160 -1.265 1.00 0.00 C ATOM 1369 CD1 LEU A 81 16.213 14.848 -0.144 1.00 0.00 C ATOM 1370 CD2 LEU A 81 14.844 16.630 -1.248 1.00 0.00 C ATOM 0 H LEU A 81 17.039 13.921 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 81 16.677 12.910 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.778 15.318 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.167 15.132 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 81 14.332 14.567 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.770 15.122 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.442 13.782 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.131 15.416 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.417 16.882 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.728 17.242 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.108 16.821 -2.029 1.00 0.00 H new ATOM 1382 N LEU A 82 14.128 12.577 -4.045 1.00 0.00 N ATOM 1383 CA LEU A 82 12.886 11.851 -4.271 1.00 0.00 C ATOM 1384 C LEU A 82 13.131 10.346 -4.189 1.00 0.00 C ATOM 1385 O LEU A 82 12.381 9.621 -3.532 1.00 0.00 O ATOM 1386 CB LEU A 82 12.302 12.230 -5.639 1.00 0.00 C ATOM 1387 CG LEU A 82 11.028 11.486 -6.059 1.00 0.00 C ATOM 1388 CD1 LEU A 82 9.899 11.724 -5.068 1.00 0.00 C ATOM 1389 CD2 LEU A 82 10.603 11.921 -7.451 1.00 0.00 C ATOM 0 H LEU A 82 14.452 13.113 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 82 12.168 12.123 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.090 13.299 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.066 12.058 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 82 11.248 10.419 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.010 11.184 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.199 11.369 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.678 12.790 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.698 11.386 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.407 12.993 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.399 11.696 -8.161 1.00 0.00 H new ATOM 1401 N GLN A 83 14.199 9.886 -4.836 1.00 0.00 N ATOM 1402 CA GLN A 83 14.551 8.470 -4.816 1.00 0.00 C ATOM 1403 C GLN A 83 14.852 7.993 -3.396 1.00 0.00 C ATOM 1404 O GLN A 83 14.559 6.849 -3.050 1.00 0.00 O ATOM 1405 CB GLN A 83 15.758 8.181 -5.710 1.00 0.00 C ATOM 1406 CG GLN A 83 16.101 6.700 -5.755 1.00 0.00 C ATOM 1407 CD GLN A 83 17.427 6.402 -6.419 1.00 0.00 C ATOM 1408 OE1 GLN A 83 17.862 7.111 -7.328 1.00 0.00 O ATOM 1409 NE2 GLN A 83 18.085 5.357 -5.950 1.00 0.00 N ATOM 0 H GLN A 83 14.834 10.472 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 83 13.688 7.926 -5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 83 15.552 8.535 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.620 8.740 -5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.118 6.309 -4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 83 15.311 6.169 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.685 4.799 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.993 5.108 -6.342 1.00 0.00 H new ATOM 1418 N GLN A 84 15.436 8.867 -2.577 1.00 0.00 N ATOM 1419 CA GLN A 84 15.759 8.517 -1.195 1.00 0.00 C ATOM 1420 C GLN A 84 14.519 8.059 -0.443 1.00 0.00 C ATOM 1421 O GLN A 84 14.591 7.160 0.391 1.00 0.00 O ATOM 1422 CB GLN A 84 16.399 9.690 -0.454 1.00 0.00 C ATOM 1423 CG GLN A 84 17.813 10.003 -0.908 1.00 0.00 C ATOM 1424 CD GLN A 84 18.500 11.014 -0.012 1.00 0.00 C ATOM 1425 OE1 GLN A 84 17.853 11.873 0.592 1.00 0.00 O ATOM 1426 NE2 GLN A 84 19.815 10.917 0.085 1.00 0.00 N ATOM 0 H GLN A 84 15.694 9.817 -2.845 1.00 0.00 H new ATOM 0 HA GLN A 84 16.476 7.697 -1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 84 15.779 10.576 -0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 84 16.410 9.471 0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.397 9.083 -0.927 1.00 0.00 H new ATOM 0 HG3 GLN A 84 17.787 10.385 -1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.312 10.192 -0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 84 20.332 11.568 0.676 1.00 0.00 H new ATOM 1435 N ARG A 85 13.382 8.673 -0.747 1.00 0.00 N ATOM 1436 CA ARG A 85 12.120 8.290 -0.127 1.00 0.00 C ATOM 1437 C ARG A 85 11.688 6.918 -0.617 1.00 0.00 C ATOM 1438 O ARG A 85 11.180 6.103 0.152 1.00 0.00 O ATOM 1439 CB ARG A 85 11.040 9.325 -0.436 1.00 0.00 C ATOM 1440 CG ARG A 85 11.318 10.681 0.179 1.00 0.00 C ATOM 1441 CD ARG A 85 10.246 11.690 -0.184 1.00 0.00 C ATOM 1442 NE ARG A 85 10.441 12.952 0.520 1.00 0.00 N ATOM 1443 CZ ARG A 85 9.794 14.075 0.239 1.00 0.00 C ATOM 1444 NH1 ARG A 85 8.908 14.109 -0.750 1.00 0.00 N ATOM 1445 NH2 ARG A 85 10.040 15.165 0.953 1.00 0.00 N ATOM 0 H ARG A 85 13.308 9.437 -1.418 1.00 0.00 H new ATOM 0 HA ARG A 85 12.262 8.247 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.950 9.435 -1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.080 8.958 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.375 10.584 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.289 11.043 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.260 11.866 -1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.264 11.284 0.060 1.00 0.00 H new ATOM 0 HE ARG A 85 11.121 12.972 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.722 13.269 -1.298 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.413 14.975 -0.962 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.722 15.135 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.547 16.033 0.744 1.00 0.00 H new ATOM 1459 N ARG A 86 11.912 6.667 -1.899 1.00 0.00 N ATOM 1460 CA ARG A 86 11.596 5.380 -2.498 1.00 0.00 C ATOM 1461 C ARG A 86 12.447 4.276 -1.877 1.00 0.00 C ATOM 1462 O ARG A 86 11.924 3.264 -1.412 1.00 0.00 O ATOM 1463 CB ARG A 86 11.817 5.442 -4.012 1.00 0.00 C ATOM 1464 CG ARG A 86 11.550 4.132 -4.731 1.00 0.00 C ATOM 1465 CD ARG A 86 11.703 4.289 -6.234 1.00 0.00 C ATOM 1466 NE ARG A 86 11.458 3.038 -6.947 1.00 0.00 N ATOM 1467 CZ ARG A 86 10.286 2.708 -7.485 1.00 0.00 C ATOM 1468 NH1 ARG A 86 9.243 3.517 -7.360 1.00 0.00 N ATOM 1469 NH2 ARG A 86 10.165 1.559 -8.142 1.00 0.00 N ATOM 0 H ARG A 86 12.314 7.344 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 86 10.548 5.150 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.170 6.213 -4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.845 5.748 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.240 3.369 -4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.543 3.786 -4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.009 5.050 -6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.709 4.643 -6.460 1.00 0.00 H new ATOM 0 HE ARG A 86 12.231 2.378 -7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.337 4.395 -6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.346 3.261 -7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.968 0.936 -8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.270 1.300 -8.557 1.00 0.00 H new ATOM 1483 N ASP A 87 13.760 4.490 -1.847 1.00 0.00 N ATOM 1484 CA ASP A 87 14.685 3.515 -1.272 1.00 0.00 C ATOM 1485 C ASP A 87 14.433 3.329 0.221 1.00 0.00 C ATOM 1486 O ASP A 87 14.534 2.218 0.737 1.00 0.00 O ATOM 1487 CB ASP A 87 16.141 3.926 -1.511 1.00 0.00 C ATOM 1488 CG ASP A 87 16.660 3.476 -2.865 1.00 0.00 C ATOM 1489 OD1 ASP A 87 16.805 2.249 -3.069 1.00 0.00 O ATOM 1490 OD2 ASP A 87 16.927 4.337 -3.728 1.00 0.00 O ATOM 0 H ASP A 87 14.208 5.330 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 87 14.507 2.564 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.226 5.010 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.768 3.502 -0.727 1.00 0.00 H new ATOM 1495 N GLN A 88 14.101 4.419 0.908 1.00 0.00 N ATOM 1496 CA GLN A 88 13.765 4.361 2.328 1.00 0.00 C ATOM 1497 C GLN A 88 12.536 3.487 2.548 1.00 0.00 C ATOM 1498 O GLN A 88 12.525 2.616 3.420 1.00 0.00 O ATOM 1499 CB GLN A 88 13.508 5.770 2.866 1.00 0.00 C ATOM 1500 CG GLN A 88 13.099 5.820 4.328 1.00 0.00 C ATOM 1501 CD GLN A 88 12.883 7.239 4.817 1.00 0.00 C ATOM 1502 OE1 GLN A 88 13.523 8.177 4.338 1.00 0.00 O ATOM 1503 NE2 GLN A 88 11.971 7.410 5.758 1.00 0.00 N ATOM 0 H GLN A 88 14.057 5.354 0.504 1.00 0.00 H new ATOM 0 HA GLN A 88 14.606 3.924 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.411 6.366 2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.727 6.237 2.267 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.182 5.247 4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.868 5.342 4.935 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.463 6.607 6.128 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.775 8.345 6.114 1.00 0.00 H new ATOM 1512 N GLU A 89 11.512 3.724 1.737 1.00 0.00 N ATOM 1513 CA GLU A 89 10.277 2.961 1.805 1.00 0.00 C ATOM 1514 C GLU A 89 10.557 1.487 1.520 1.00 0.00 C ATOM 1515 O GLU A 89 10.129 0.602 2.261 1.00 0.00 O ATOM 1516 CB GLU A 89 9.278 3.506 0.783 1.00 0.00 C ATOM 1517 CG GLU A 89 7.838 3.106 1.047 1.00 0.00 C ATOM 1518 CD GLU A 89 7.163 3.986 2.082 1.00 0.00 C ATOM 1519 OE1 GLU A 89 6.621 5.049 1.697 1.00 0.00 O ATOM 1520 OE2 GLU A 89 7.153 3.621 3.269 1.00 0.00 O ATOM 0 H GLU A 89 11.516 4.447 1.018 1.00 0.00 H new ATOM 0 HA GLU A 89 9.855 3.054 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.345 4.594 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.564 3.158 -0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.276 3.154 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.810 2.070 1.384 1.00 0.00 H new ATOM 1527 N LEU A 90 11.304 1.238 0.446 1.00 0.00 N ATOM 1528 CA LEU A 90 11.663 -0.122 0.050 1.00 0.00 C ATOM 1529 C LEU A 90 12.467 -0.821 1.141 1.00 0.00 C ATOM 1530 O LEU A 90 12.302 -2.017 1.366 1.00 0.00 O ATOM 1531 CB LEU A 90 12.461 -0.110 -1.256 1.00 0.00 C ATOM 1532 CG LEU A 90 11.696 0.381 -2.486 1.00 0.00 C ATOM 1533 CD1 LEU A 90 12.607 0.410 -3.703 1.00 0.00 C ATOM 1534 CD2 LEU A 90 10.485 -0.501 -2.749 1.00 0.00 C ATOM 0 H LEU A 90 11.674 1.964 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 90 10.737 -0.676 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.340 0.520 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.821 -1.120 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 90 11.347 1.395 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.046 0.762 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.444 1.083 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.985 -0.594 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.953 -0.136 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.812 -1.526 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.820 -0.474 -1.885 1.00 0.00 H new ATOM 1546 N LYS A 91 13.325 -0.069 1.822 1.00 0.00 N ATOM 1547 CA LYS A 91 14.154 -0.630 2.881 1.00 0.00 C ATOM 1548 C LYS A 91 13.291 -1.080 4.054 1.00 0.00 C ATOM 1549 O LYS A 91 13.615 -2.052 4.741 1.00 0.00 O ATOM 1550 CB LYS A 91 15.192 0.396 3.347 1.00 0.00 C ATOM 1551 CG LYS A 91 16.192 -0.149 4.358 1.00 0.00 C ATOM 1552 CD LYS A 91 16.962 -1.338 3.799 1.00 0.00 C ATOM 1553 CE LYS A 91 18.067 -1.794 4.741 1.00 0.00 C ATOM 1554 NZ LYS A 91 17.544 -2.229 6.065 1.00 0.00 N ATOM 0 H LYS A 91 13.464 0.928 1.660 1.00 0.00 H new ATOM 0 HA LYS A 91 14.678 -1.499 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.735 0.768 2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.673 1.248 3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.891 0.638 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.667 -0.449 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.274 -2.164 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.395 -1.069 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.615 -2.617 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.777 -0.979 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.327 -2.593 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.103 -1.420 6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.836 -2.979 5.929 1.00 0.00 H new ATOM 1568 N GLU A 92 12.187 -0.380 4.272 1.00 0.00 N ATOM 1569 CA GLU A 92 11.273 -0.732 5.344 1.00 0.00 C ATOM 1570 C GLU A 92 10.499 -1.995 4.967 1.00 0.00 C ATOM 1571 O GLU A 92 10.360 -2.912 5.771 1.00 0.00 O ATOM 1572 CB GLU A 92 10.314 0.423 5.635 1.00 0.00 C ATOM 1573 CG GLU A 92 9.735 0.385 7.039 1.00 0.00 C ATOM 1574 CD GLU A 92 10.806 0.509 8.106 1.00 0.00 C ATOM 1575 OE1 GLU A 92 11.450 -0.511 8.429 1.00 0.00 O ATOM 1576 OE2 GLU A 92 11.016 1.629 8.618 1.00 0.00 O ATOM 0 H GLU A 92 11.905 0.432 3.722 1.00 0.00 H new ATOM 0 HA GLU A 92 11.847 -0.927 6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.840 1.367 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.498 0.399 4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.014 1.195 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.191 -0.549 7.180 1.00 0.00 H new ATOM 1583 N PHE A 93 10.027 -2.047 3.723 1.00 0.00 N ATOM 1584 CA PHE A 93 9.330 -3.230 3.215 1.00 0.00 C ATOM 1585 C PHE A 93 10.269 -4.433 3.149 1.00 0.00 C ATOM 1586 O PHE A 93 9.832 -5.576 3.265 1.00 0.00 O ATOM 1587 CB PHE A 93 8.734 -2.965 1.830 1.00 0.00 C ATOM 1588 CG PHE A 93 7.462 -2.164 1.855 1.00 0.00 C ATOM 1589 CD1 PHE A 93 6.239 -2.794 2.018 1.00 0.00 C ATOM 1590 CD2 PHE A 93 7.487 -0.787 1.710 1.00 0.00 C ATOM 1591 CE1 PHE A 93 5.065 -2.065 2.039 1.00 0.00 C ATOM 1592 CE2 PHE A 93 6.317 -0.053 1.729 1.00 0.00 C ATOM 1593 CZ PHE A 93 5.104 -0.692 1.894 1.00 0.00 C ATOM 0 H PHE A 93 10.113 -1.287 3.049 1.00 0.00 H new ATOM 0 HA PHE A 93 8.520 -3.454 3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.471 -2.439 1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.541 -3.919 1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.203 -3.868 2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.432 -0.281 1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.118 -2.568 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.351 1.020 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.188 -0.120 1.910 1.00 0.00 H new ATOM 1603 N LYS A 94 11.558 -4.159 2.972 1.00 0.00 N ATOM 1604 CA LYS A 94 12.579 -5.201 2.906 1.00 0.00 C ATOM 1605 C LYS A 94 12.778 -5.847 4.277 1.00 0.00 C ATOM 1606 O LYS A 94 13.358 -6.928 4.392 1.00 0.00 O ATOM 1607 CB LYS A 94 13.897 -4.597 2.402 1.00 0.00 C ATOM 1608 CG LYS A 94 14.965 -5.620 2.038 1.00 0.00 C ATOM 1609 CD LYS A 94 16.245 -4.934 1.585 1.00 0.00 C ATOM 1610 CE LYS A 94 17.291 -5.931 1.105 1.00 0.00 C ATOM 1611 NZ LYS A 94 16.856 -6.654 -0.119 1.00 0.00 N ATOM 0 H LYS A 94 11.924 -3.212 2.871 1.00 0.00 H new ATOM 0 HA LYS A 94 12.251 -5.975 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 94 13.688 -3.982 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.295 -3.934 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 94 15.174 -6.255 2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.596 -6.270 1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.016 -4.235 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.654 -4.349 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 94 18.225 -5.406 0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.495 -6.651 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.668 -7.152 -0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.117 -7.343 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.478 -5.973 -0.808 1.00 0.00 H new ATOM 1625 N ALA A 95 12.302 -5.172 5.315 1.00 0.00 N ATOM 1626 CA ALA A 95 12.370 -5.695 6.672 1.00 0.00 C ATOM 1627 C ALA A 95 10.968 -5.945 7.215 1.00 0.00 C ATOM 1628 O ALA A 95 10.784 -6.235 8.402 1.00 0.00 O ATOM 1629 CB ALA A 95 13.124 -4.730 7.573 1.00 0.00 C ATOM 0 H ALA A 95 11.862 -4.255 5.241 1.00 0.00 H new ATOM 0 HA ALA A 95 12.908 -6.643 6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.167 -5.134 8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.137 -4.594 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.610 -3.769 7.588 1.00 0.00 H new ATOM 1635 N GLY A 96 9.986 -5.842 6.333 1.00 0.00 N ATOM 1636 CA GLY A 96 8.606 -6.003 6.733 1.00 0.00 C ATOM 1637 C GLY A 96 7.964 -4.685 7.112 1.00 0.00 C ATOM 1638 O GLY A 96 8.449 -3.985 8.000 1.00 0.00 O ATOM 0 H GLY A 96 10.123 -5.648 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.044 -6.458 5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.552 -6.688 7.579 1.00 0.00 H new ATOM 1642 N PHE A 97 6.876 -4.346 6.442 1.00 0.00 N ATOM 1643 CA PHE A 97 6.149 -3.118 6.726 1.00 0.00 C ATOM 1644 C PHE A 97 4.761 -3.464 7.249 1.00 0.00 C ATOM 1645 O PHE A 97 4.250 -4.550 6.979 1.00 0.00 O ATOM 1646 CB PHE A 97 6.051 -2.261 5.457 1.00 0.00 C ATOM 1647 CG PHE A 97 5.470 -0.891 5.678 1.00 0.00 C ATOM 1648 CD1 PHE A 97 6.223 0.106 6.278 1.00 0.00 C ATOM 1649 CD2 PHE A 97 4.171 -0.600 5.287 1.00 0.00 C ATOM 1650 CE1 PHE A 97 5.694 1.367 6.482 1.00 0.00 C ATOM 1651 CE2 PHE A 97 3.637 0.658 5.489 1.00 0.00 C ATOM 1652 CZ PHE A 97 4.400 1.642 6.088 1.00 0.00 C ATOM 0 H PHE A 97 6.473 -4.908 5.692 1.00 0.00 H new ATOM 0 HA PHE A 97 6.681 -2.545 7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 97 7.047 -2.155 5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.441 -2.788 4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.235 -0.105 6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.570 -1.366 4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.292 2.136 6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.625 0.872 5.179 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.984 2.626 6.248 1.00 0.00 H new ATOM 1662 N LEU A 98 4.158 -2.559 8.007 1.00 0.00 N ATOM 1663 CA LEU A 98 2.832 -2.803 8.550 1.00 0.00 C ATOM 1664 C LEU A 98 1.790 -2.686 7.447 1.00 0.00 C ATOM 1665 O LEU A 98 1.488 -1.592 6.972 1.00 0.00 O ATOM 1666 CB LEU A 98 2.518 -1.823 9.679 1.00 0.00 C ATOM 1667 CG LEU A 98 1.290 -2.176 10.518 1.00 0.00 C ATOM 1668 CD1 LEU A 98 1.521 -3.474 11.275 1.00 0.00 C ATOM 1669 CD2 LEU A 98 0.959 -1.051 11.482 1.00 0.00 C ATOM 0 H LEU A 98 4.563 -1.657 8.258 1.00 0.00 H new ATOM 0 HA LEU A 98 2.807 -3.813 8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.384 -1.762 10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.373 -0.832 9.250 1.00 0.00 H new ATOM 0 HG LEU A 98 0.442 -2.312 9.846 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.638 -3.712 11.868 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.710 -4.280 10.566 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.381 -3.362 11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.082 -1.322 12.070 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.805 -0.882 12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.752 -0.140 10.921 1.00 0.00 H new ATOM 1681 N CYS A 99 1.264 -3.819 7.027 1.00 0.00 N ATOM 1682 CA CYS A 99 0.305 -3.855 5.942 1.00 0.00 C ATOM 1683 C CYS A 99 -0.932 -4.632 6.370 1.00 0.00 C ATOM 1684 O CYS A 99 -0.830 -5.619 7.102 1.00 0.00 O ATOM 1685 CB CYS A 99 0.942 -4.494 4.701 1.00 0.00 C ATOM 1686 SG CYS A 99 -0.150 -4.599 3.261 1.00 0.00 S ATOM 0 H CYS A 99 1.486 -4.732 7.424 1.00 0.00 H new ATOM 0 HA CYS A 99 0.006 -2.837 5.692 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.828 -3.920 4.428 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.279 -5.498 4.958 1.00 0.00 H new ATOM 0 HG CYS A 99 -1.227 -5.254 3.580 1.00 0.00 H new ATOM 1692 N PRO A 100 -2.121 -4.184 5.948 1.00 0.00 N ATOM 1693 CA PRO A 100 -3.356 -4.907 6.217 1.00 0.00 C ATOM 1694 C PRO A 100 -3.376 -6.243 5.496 1.00 0.00 C ATOM 1695 O PRO A 100 -3.009 -6.330 4.321 1.00 0.00 O ATOM 1696 CB PRO A 100 -4.454 -3.986 5.676 1.00 0.00 C ATOM 1697 CG PRO A 100 -3.770 -3.091 4.703 1.00 0.00 C ATOM 1698 CD PRO A 100 -2.353 -2.946 5.184 1.00 0.00 C ATOM 0 HA PRO A 100 -3.480 -5.135 7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.246 -4.559 5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.918 -3.413 6.479 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.798 -3.515 3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.265 -2.121 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.655 -2.851 4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.229 -2.060 5.807 1.00 0.00 H new ATOM 1706 N ASP A 101 -3.771 -7.285 6.207 1.00 0.00 N ATOM 1707 CA ASP A 101 -3.876 -8.599 5.602 1.00 0.00 C ATOM 1708 C ASP A 101 -5.055 -8.637 4.649 1.00 0.00 C ATOM 1709 O ASP A 101 -6.163 -8.230 5.000 1.00 0.00 O ATOM 1710 CB ASP A 101 -4.031 -9.690 6.655 1.00 0.00 C ATOM 1711 CG ASP A 101 -4.246 -11.041 6.014 1.00 0.00 C ATOM 1712 OD1 ASP A 101 -3.251 -11.681 5.616 1.00 0.00 O ATOM 1713 OD2 ASP A 101 -5.415 -11.450 5.864 1.00 0.00 O ATOM 0 H ASP A 101 -4.022 -7.247 7.195 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.953 -8.788 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.142 -9.721 7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.874 -9.455 7.305 1.00 0.00 H new ATOM 1718 N LEU A 102 -4.813 -9.122 3.446 1.00 0.00 N ATOM 1719 CA LEU A 102 -5.837 -9.133 2.420 1.00 0.00 C ATOM 1720 C LEU A 102 -6.416 -10.527 2.225 1.00 0.00 C ATOM 1721 O LEU A 102 -6.948 -10.828 1.163 1.00 0.00 O ATOM 1722 CB LEU A 102 -5.273 -8.617 1.095 1.00 0.00 C ATOM 1723 CG LEU A 102 -4.747 -7.180 1.113 1.00 0.00 C ATOM 1724 CD1 LEU A 102 -4.380 -6.743 -0.295 1.00 0.00 C ATOM 1725 CD2 LEU A 102 -5.773 -6.232 1.715 1.00 0.00 C ATOM 0 H LEU A 102 -3.917 -9.513 3.156 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.639 -8.474 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.463 -9.277 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.052 -8.690 0.336 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.854 -7.148 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.007 -5.719 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -3.608 -7.402 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.262 -6.794 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.374 -5.217 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.688 -6.262 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.993 -6.536 2.738 1.00 0.00 H new ATOM 1737 N SER A 103 -6.324 -11.376 3.239 1.00 0.00 N ATOM 1738 CA SER A 103 -6.932 -12.695 3.155 1.00 0.00 C ATOM 1739 C SER A 103 -8.086 -12.815 4.148 1.00 0.00 C ATOM 1740 O SER A 103 -9.084 -13.486 3.874 1.00 0.00 O ATOM 1741 CB SER A 103 -5.893 -13.806 3.366 1.00 0.00 C ATOM 1742 OG SER A 103 -5.240 -13.705 4.624 1.00 0.00 O ATOM 0 H SER A 103 -5.842 -11.179 4.116 1.00 0.00 H new ATOM 0 HA SER A 103 -7.335 -12.819 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.383 -14.777 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.150 -13.761 2.569 1.00 0.00 H new ATOM 0 HG SER A 103 -5.601 -12.940 5.119 1.00 0.00 H new ATOM 1748 N ASP A 104 -7.957 -12.154 5.293 1.00 0.00 N ATOM 1749 CA ASP A 104 -9.026 -12.127 6.284 1.00 0.00 C ATOM 1750 C ASP A 104 -10.095 -11.119 5.877 1.00 0.00 C ATOM 1751 O ASP A 104 -9.802 -9.947 5.638 1.00 0.00 O ATOM 1752 CB ASP A 104 -8.480 -11.779 7.669 1.00 0.00 C ATOM 1753 CG ASP A 104 -9.560 -11.806 8.731 1.00 0.00 C ATOM 1754 OD1 ASP A 104 -9.852 -12.898 9.261 1.00 0.00 O ATOM 1755 OD2 ASP A 104 -10.133 -10.741 9.031 1.00 0.00 O ATOM 0 H ASP A 104 -7.123 -11.630 5.558 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.471 -13.121 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.693 -12.484 7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.025 -10.789 7.640 1.00 0.00 H new ATOM 1760 N ALA A 105 -11.336 -11.579 5.811 1.00 0.00 N ATOM 1761 CA ALA A 105 -12.431 -10.760 5.307 1.00 0.00 C ATOM 1762 C ALA A 105 -12.860 -9.706 6.320 1.00 0.00 C ATOM 1763 O ALA A 105 -13.407 -8.670 5.944 1.00 0.00 O ATOM 1764 CB ALA A 105 -13.614 -11.642 4.934 1.00 0.00 C ATOM 0 H ALA A 105 -11.611 -12.517 6.101 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.074 -10.238 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -14.427 -11.021 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -13.311 -12.349 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -13.952 -12.189 5.814 1.00 0.00 H new ATOM 1770 N LYS A 106 -12.609 -9.961 7.597 1.00 0.00 N ATOM 1771 CA LYS A 106 -12.991 -9.018 8.639 1.00 0.00 C ATOM 1772 C LYS A 106 -12.045 -7.828 8.627 1.00 0.00 C ATOM 1773 O LYS A 106 -12.483 -6.677 8.677 1.00 0.00 O ATOM 1774 CB LYS A 106 -12.999 -9.687 10.013 1.00 0.00 C ATOM 1775 CG LYS A 106 -13.874 -10.925 10.066 1.00 0.00 C ATOM 1776 CD LYS A 106 -14.088 -11.410 11.489 1.00 0.00 C ATOM 1777 CE LYS A 106 -14.870 -12.714 11.515 1.00 0.00 C ATOM 1778 NZ LYS A 106 -16.096 -12.647 10.675 1.00 0.00 N ATOM 0 H LYS A 106 -12.147 -10.805 7.934 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.004 -8.670 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.979 -9.958 10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.347 -8.971 10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.839 -10.707 9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -13.415 -11.719 9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.123 -11.552 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.624 -10.650 12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.233 -13.525 11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.147 -12.950 12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.708 -13.460 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.608 -11.765 10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.830 -12.669 9.670 1.00 0.00 H new ATOM 1792 N ASN A 107 -10.751 -8.116 8.541 1.00 0.00 N ATOM 1793 CA ASN A 107 -9.740 -7.073 8.396 1.00 0.00 C ATOM 1794 C ASN A 107 -10.042 -6.218 7.176 1.00 0.00 C ATOM 1795 O ASN A 107 -10.004 -4.989 7.238 1.00 0.00 O ATOM 1796 CB ASN A 107 -8.340 -7.681 8.257 1.00 0.00 C ATOM 1797 CG ASN A 107 -7.801 -8.232 9.563 1.00 0.00 C ATOM 1798 OD1 ASN A 107 -8.077 -7.702 10.640 1.00 0.00 O ATOM 1799 ND2 ASN A 107 -7.021 -9.299 9.475 1.00 0.00 N ATOM 0 H ASN A 107 -10.376 -9.064 8.569 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.765 -6.453 9.292 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.369 -8.480 7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.656 -6.921 7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.624 -9.712 10.319 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.817 -9.708 8.563 1.00 0.00 H new ATOM 1806 N MET A 108 -10.370 -6.872 6.071 1.00 0.00 N ATOM 1807 CA MET A 108 -10.667 -6.163 4.838 1.00 0.00 C ATOM 1808 C MET A 108 -11.977 -5.391 4.941 1.00 0.00 C ATOM 1809 O MET A 108 -12.129 -4.344 4.317 1.00 0.00 O ATOM 1810 CB MET A 108 -10.712 -7.119 3.646 1.00 0.00 C ATOM 1811 CG MET A 108 -9.368 -7.754 3.322 1.00 0.00 C ATOM 1812 SD MET A 108 -9.172 -8.077 1.560 1.00 0.00 S ATOM 1813 CE MET A 108 -9.294 -6.407 0.928 1.00 0.00 C ATOM 0 H MET A 108 -10.437 -7.888 6.004 1.00 0.00 H new ATOM 0 HA MET A 108 -9.860 -5.448 4.677 1.00 0.00 H new ATOM 0 HB2 MET A 108 -11.437 -7.907 3.850 1.00 0.00 H new ATOM 0 HB3 MET A 108 -11.069 -6.577 2.770 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.567 -7.097 3.660 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.268 -8.689 3.874 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.701 -6.318 0.017 1.00 0.00 H new ATOM 0 HE2 MET A 108 -10.336 -6.177 0.707 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.919 -5.707 1.675 1.00 0.00 H new ATOM 1823 N GLU A 109 -12.918 -5.894 5.732 1.00 0.00 N ATOM 1824 CA GLU A 109 -14.201 -5.222 5.900 1.00 0.00 C ATOM 1825 C GLU A 109 -14.025 -3.934 6.703 1.00 0.00 C ATOM 1826 O GLU A 109 -14.621 -2.904 6.381 1.00 0.00 O ATOM 1827 CB GLU A 109 -15.216 -6.141 6.582 1.00 0.00 C ATOM 1828 CG GLU A 109 -16.649 -5.640 6.478 1.00 0.00 C ATOM 1829 CD GLU A 109 -17.117 -5.516 5.041 1.00 0.00 C ATOM 1830 OE1 GLU A 109 -17.562 -6.535 4.467 1.00 0.00 O ATOM 1831 OE2 GLU A 109 -17.035 -4.406 4.476 1.00 0.00 O ATOM 0 H GLU A 109 -12.818 -6.759 6.264 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.584 -4.969 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -15.153 -7.134 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -14.951 -6.246 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -17.309 -6.322 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -16.728 -4.669 6.968 1.00 0.00 H new ATOM 1838 N PHE A 110 -13.196 -3.989 7.745 1.00 0.00 N ATOM 1839 CA PHE A 110 -12.863 -2.786 8.502 1.00 0.00 C ATOM 1840 C PHE A 110 -12.111 -1.814 7.604 1.00 0.00 C ATOM 1841 O PHE A 110 -12.314 -0.607 7.669 1.00 0.00 O ATOM 1842 CB PHE A 110 -12.011 -3.111 9.734 1.00 0.00 C ATOM 1843 CG PHE A 110 -12.697 -3.974 10.753 1.00 0.00 C ATOM 1844 CD1 PHE A 110 -13.976 -3.672 11.191 1.00 0.00 C ATOM 1845 CD2 PHE A 110 -12.054 -5.081 11.281 1.00 0.00 C ATOM 1846 CE1 PHE A 110 -14.603 -4.462 12.136 1.00 0.00 C ATOM 1847 CE2 PHE A 110 -12.676 -5.876 12.226 1.00 0.00 C ATOM 1848 CZ PHE A 110 -13.953 -5.565 12.653 1.00 0.00 C ATOM 0 H PHE A 110 -12.749 -4.842 8.080 1.00 0.00 H new ATOM 0 HA PHE A 110 -13.794 -2.336 8.847 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -11.099 -3.610 9.408 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -11.711 -2.177 10.210 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -14.489 -2.810 10.790 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -11.055 -5.326 10.951 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -15.600 -4.217 12.470 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -12.165 -6.738 12.629 1.00 0.00 H new ATOM 0 HZ PHE A 110 -14.442 -6.184 13.390 1.00 0.00 H new ATOM 1858 N LEU A 111 -11.247 -2.367 6.760 1.00 0.00 N ATOM 1859 CA LEU A 111 -10.504 -1.591 5.773 1.00 0.00 C ATOM 1860 C LEU A 111 -11.466 -0.893 4.808 1.00 0.00 C ATOM 1861 O LEU A 111 -11.262 0.259 4.434 1.00 0.00 O ATOM 1862 CB LEU A 111 -9.536 -2.527 5.026 1.00 0.00 C ATOM 1863 CG LEU A 111 -8.717 -1.915 3.884 1.00 0.00 C ATOM 1864 CD1 LEU A 111 -7.388 -2.639 3.754 1.00 0.00 C ATOM 1865 CD2 LEU A 111 -9.474 -2.001 2.568 1.00 0.00 C ATOM 0 H LEU A 111 -11.042 -3.366 6.741 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.925 -0.814 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.841 -2.946 5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.114 -3.358 4.621 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.540 -0.865 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.812 -2.198 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.830 -2.546 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.567 -3.693 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.873 -1.560 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.677 -3.046 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.416 -1.459 2.654 1.00 0.00 H new ATOM 1877 N ARG A 112 -12.525 -1.596 4.434 1.00 0.00 N ATOM 1878 CA ARG A 112 -13.527 -1.073 3.509 1.00 0.00 C ATOM 1879 C ARG A 112 -14.361 0.039 4.142 1.00 0.00 C ATOM 1880 O ARG A 112 -14.982 0.832 3.435 1.00 0.00 O ATOM 1881 CB ARG A 112 -14.435 -2.208 3.038 1.00 0.00 C ATOM 1882 CG ARG A 112 -13.809 -3.075 1.960 1.00 0.00 C ATOM 1883 CD ARG A 112 -14.350 -4.498 1.985 1.00 0.00 C ATOM 1884 NE ARG A 112 -15.807 -4.546 2.085 1.00 0.00 N ATOM 1885 CZ ARG A 112 -16.610 -4.971 1.115 1.00 0.00 C ATOM 1886 NH1 ARG A 112 -16.113 -5.321 -0.067 1.00 0.00 N ATOM 1887 NH2 ARG A 112 -17.916 -5.042 1.329 1.00 0.00 N ATOM 0 H ARG A 112 -12.716 -2.543 4.761 1.00 0.00 H new ATOM 0 HA ARG A 112 -13.003 -0.643 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.694 -2.834 3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.365 -1.785 2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -14.000 -2.632 0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -12.728 -3.096 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -14.035 -5.018 1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.914 -5.033 2.829 1.00 0.00 H new ATOM 0 HE ARG A 112 -16.236 -4.233 2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.108 -5.264 -0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.736 -5.646 -0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -18.300 -4.771 2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.537 -5.367 0.588 1.00 0.00 H new ATOM 1901 N ASN A 113 -14.360 0.097 5.468 1.00 0.00 N ATOM 1902 CA ASN A 113 -15.127 1.106 6.196 1.00 0.00 C ATOM 1903 C ASN A 113 -14.200 1.992 7.017 1.00 0.00 C ATOM 1904 O ASN A 113 -14.627 2.668 7.955 1.00 0.00 O ATOM 1905 CB ASN A 113 -16.160 0.437 7.108 1.00 0.00 C ATOM 1906 CG ASN A 113 -17.276 -0.236 6.333 1.00 0.00 C ATOM 1907 OD1 ASN A 113 -18.300 0.383 6.034 1.00 0.00 O ATOM 1908 ND2 ASN A 113 -17.092 -1.506 6.004 1.00 0.00 N ATOM 0 H ASN A 113 -13.836 -0.543 6.064 1.00 0.00 H new ATOM 0 HA ASN A 113 -15.651 1.728 5.470 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.661 -0.302 7.734 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.587 1.185 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.812 -2.008 5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.230 -1.982 6.270 1.00 0.00 H new ATOM 1915 N TRP A 114 -12.929 1.983 6.648 1.00 0.00 N ATOM 1916 CA TRP A 114 -11.908 2.751 7.346 1.00 0.00 C ATOM 1917 C TRP A 114 -12.044 4.246 7.050 1.00 0.00 C ATOM 1918 O TRP A 114 -12.384 4.646 5.933 1.00 0.00 O ATOM 1919 CB TRP A 114 -10.520 2.240 6.932 1.00 0.00 C ATOM 1920 CG TRP A 114 -9.375 2.992 7.541 1.00 0.00 C ATOM 1921 CD1 TRP A 114 -8.840 2.812 8.783 1.00 0.00 C ATOM 1922 CD2 TRP A 114 -8.614 4.037 6.924 1.00 0.00 C ATOM 1923 NE1 TRP A 114 -7.799 3.688 8.979 1.00 0.00 N ATOM 1924 CE2 TRP A 114 -7.643 4.450 7.851 1.00 0.00 C ATOM 1925 CE3 TRP A 114 -8.667 4.667 5.677 1.00 0.00 C ATOM 1926 CZ2 TRP A 114 -6.728 5.461 7.571 1.00 0.00 C ATOM 1927 CZ3 TRP A 114 -7.759 5.670 5.400 1.00 0.00 C ATOM 1928 CH2 TRP A 114 -6.803 6.059 6.343 1.00 0.00 C ATOM 0 H TRP A 114 -12.576 1.444 5.857 1.00 0.00 H new ATOM 0 HA TRP A 114 -12.037 2.618 8.420 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -10.436 1.189 7.208 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -10.436 2.292 5.846 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -9.184 2.087 9.506 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -7.235 3.759 9.826 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -9.404 4.375 4.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -5.987 5.762 8.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.788 6.162 4.439 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -6.109 6.849 6.097 1.00 0.00 H new ATOM 1939 N ASN A 115 -11.792 5.062 8.060 1.00 0.00 N ATOM 1940 CA ASN A 115 -11.816 6.509 7.910 1.00 0.00 C ATOM 1941 C ASN A 115 -10.594 7.109 8.598 1.00 0.00 C ATOM 1942 O ASN A 115 -9.779 6.374 9.154 1.00 0.00 O ATOM 1943 CB ASN A 115 -13.115 7.095 8.487 1.00 0.00 C ATOM 1944 CG ASN A 115 -13.231 6.923 9.989 1.00 0.00 C ATOM 1945 OD1 ASN A 115 -12.897 7.965 10.734 1.00 0.00 O flip ATOM 1946 ND2 ASN A 115 -13.649 5.873 10.474 1.00 0.00 N flip ATOM 0 H ASN A 115 -11.566 4.743 9.002 1.00 0.00 H new ATOM 0 HA ASN A 115 -11.785 6.760 6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -13.167 8.156 8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -13.968 6.616 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -13.896 5.093 9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -13.749 5.782 11.485 1.00 0.00 H new ATOM 1953 N GLY A 116 -10.469 8.431 8.567 1.00 0.00 N ATOM 1954 CA GLY A 116 -9.292 9.086 9.120 1.00 0.00 C ATOM 1955 C GLY A 116 -9.236 9.028 10.637 1.00 0.00 C ATOM 1956 O GLY A 116 -9.549 10.005 11.316 1.00 0.00 O ATOM 0 H GLY A 116 -11.162 9.064 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.397 8.617 8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.280 10.128 8.801 1.00 0.00 H new ATOM 1960 N THR A 117 -8.858 7.876 11.169 1.00 0.00 N ATOM 1961 CA THR A 117 -8.721 7.689 12.605 1.00 0.00 C ATOM 1962 C THR A 117 -7.688 6.604 12.906 1.00 0.00 C ATOM 1963 O THR A 117 -7.785 5.485 12.399 1.00 0.00 O ATOM 1964 CB THR A 117 -10.076 7.308 13.244 1.00 0.00 C ATOM 1965 OG1 THR A 117 -11.050 8.318 12.953 1.00 0.00 O ATOM 1966 CG2 THR A 117 -9.953 7.149 14.751 1.00 0.00 C ATOM 0 H THR A 117 -8.638 7.046 10.619 1.00 0.00 H new ATOM 0 HA THR A 117 -8.385 8.633 13.035 1.00 0.00 H new ATOM 0 HB THR A 117 -10.389 6.353 12.821 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.596 8.036 12.190 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.923 6.881 15.169 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.231 6.364 14.976 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.616 8.088 15.190 1.00 0.00 H new ATOM 1974 N PHE A 118 -6.699 6.940 13.728 1.00 0.00 N ATOM 1975 CA PHE A 118 -5.650 5.995 14.095 1.00 0.00 C ATOM 1976 C PHE A 118 -6.189 4.934 15.047 1.00 0.00 C ATOM 1977 O PHE A 118 -5.645 3.834 15.139 1.00 0.00 O ATOM 1978 CB PHE A 118 -4.461 6.719 14.734 1.00 0.00 C ATOM 1979 CG PHE A 118 -3.711 7.617 13.788 1.00 0.00 C ATOM 1980 CD1 PHE A 118 -2.710 7.106 12.977 1.00 0.00 C ATOM 1981 CD2 PHE A 118 -4.001 8.970 13.714 1.00 0.00 C ATOM 1982 CE1 PHE A 118 -2.015 7.926 12.108 1.00 0.00 C ATOM 1983 CE2 PHE A 118 -3.310 9.796 12.847 1.00 0.00 C ATOM 1984 CZ PHE A 118 -2.315 9.273 12.044 1.00 0.00 C ATOM 0 H PHE A 118 -6.602 7.862 14.154 1.00 0.00 H new ATOM 0 HA PHE A 118 -5.308 5.505 13.183 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -4.820 7.313 15.575 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -3.772 5.978 15.138 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -2.470 6.054 13.025 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.776 9.384 14.341 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -1.239 7.514 11.480 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -3.548 10.848 12.798 1.00 0.00 H new ATOM 0 HZ PHE A 118 -1.772 9.916 11.367 1.00 0.00 H new ATOM 1994 N GLY A 119 -7.268 5.268 15.748 1.00 0.00 N ATOM 1995 CA GLY A 119 -7.908 4.315 16.636 1.00 0.00 C ATOM 1996 C GLY A 119 -8.434 3.101 15.893 1.00 0.00 C ATOM 1997 O GLY A 119 -8.397 1.985 16.408 1.00 0.00 O ATOM 0 H GLY A 119 -7.712 6.186 15.716 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.195 3.993 17.395 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.731 4.804 17.158 1.00 0.00 H new ATOM 2001 N LEU A 120 -8.894 3.318 14.664 1.00 0.00 N ATOM 2002 CA LEU A 120 -9.430 2.240 13.835 1.00 0.00 C ATOM 2003 C LEU A 120 -8.315 1.258 13.473 1.00 0.00 C ATOM 2004 O LEU A 120 -8.557 0.093 13.172 1.00 0.00 O ATOM 2005 CB LEU A 120 -10.066 2.833 12.567 1.00 0.00 C ATOM 2006 CG LEU A 120 -11.263 2.065 11.985 1.00 0.00 C ATOM 2007 CD1 LEU A 120 -11.976 2.919 10.952 1.00 0.00 C ATOM 2008 CD2 LEU A 120 -10.830 0.749 11.356 1.00 0.00 C ATOM 0 H LEU A 120 -8.907 4.235 14.217 1.00 0.00 H new ATOM 0 HA LEU A 120 -10.196 1.700 14.390 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -10.387 3.851 12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.297 2.902 11.798 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.944 1.839 12.805 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -12.823 2.366 10.545 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.333 3.836 11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -11.285 3.169 10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.702 0.233 10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.123 0.946 10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.354 0.124 12.112 1.00 0.00 H new ATOM 2020 N LEU A 121 -7.078 1.724 13.556 1.00 0.00 N ATOM 2021 CA LEU A 121 -5.930 0.890 13.231 1.00 0.00 C ATOM 2022 C LEU A 121 -5.642 -0.090 14.366 1.00 0.00 C ATOM 2023 O LEU A 121 -4.703 -0.880 14.296 1.00 0.00 O ATOM 2024 CB LEU A 121 -4.702 1.754 12.932 1.00 0.00 C ATOM 2025 CG LEU A 121 -4.860 2.703 11.739 1.00 0.00 C ATOM 2026 CD1 LEU A 121 -3.591 3.507 11.518 1.00 0.00 C ATOM 2027 CD2 LEU A 121 -5.218 1.926 10.482 1.00 0.00 C ATOM 0 H LEU A 121 -6.843 2.674 13.845 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.165 0.315 12.335 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.465 2.343 13.818 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.850 1.099 12.747 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.671 3.396 11.963 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.726 4.174 10.666 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -3.374 4.096 12.409 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.761 2.829 11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -5.326 2.617 9.646 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.428 1.209 10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.157 1.395 10.638 1.00 0.00 H new ATOM 2039 N ASN A 122 -6.457 -0.023 15.417 1.00 0.00 N ATOM 2040 CA ASN A 122 -6.400 -1.000 16.497 1.00 0.00 C ATOM 2041 C ASN A 122 -7.388 -2.130 16.235 1.00 0.00 C ATOM 2042 O ASN A 122 -7.190 -3.259 16.684 1.00 0.00 O ATOM 2043 CB ASN A 122 -6.703 -0.359 17.857 1.00 0.00 C ATOM 2044 CG ASN A 122 -5.575 0.519 18.363 1.00 0.00 C ATOM 2045 OD1 ASN A 122 -4.652 0.043 19.027 1.00 0.00 O ATOM 2046 ND2 ASN A 122 -5.652 1.809 18.076 1.00 0.00 N ATOM 0 H ASN A 122 -7.165 0.700 15.542 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.385 -1.397 16.527 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -7.612 0.237 17.777 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -6.900 -1.144 18.587 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.930 2.449 18.408 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.433 2.163 17.523 1.00 0.00 H new ATOM 2053 N THR A 123 -8.457 -1.823 15.508 1.00 0.00 N ATOM 2054 CA THR A 123 -9.433 -2.836 15.145 1.00 0.00 C ATOM 2055 C THR A 123 -8.934 -3.596 13.927 1.00 0.00 C ATOM 2056 O THR A 123 -9.209 -4.782 13.753 1.00 0.00 O ATOM 2057 CB THR A 123 -10.822 -2.223 14.861 1.00 0.00 C ATOM 2058 OG1 THR A 123 -10.784 -1.414 13.683 1.00 0.00 O ATOM 2059 CG2 THR A 123 -11.274 -1.366 16.029 1.00 0.00 C ATOM 0 H THR A 123 -8.666 -0.887 15.162 1.00 0.00 H new ATOM 0 HA THR A 123 -9.549 -3.517 15.988 1.00 0.00 H new ATOM 0 HB THR A 123 -11.524 -3.044 14.716 1.00 0.00 H new ATOM 0 HG1 THR A 123 -9.882 -1.051 13.565 1.00 0.00 H new ATOM 0 HG21 THR A 123 -12.254 -0.942 15.811 1.00 0.00 H new ATOM 0 HG22 THR A 123 -11.335 -1.979 16.928 1.00 0.00 H new ATOM 0 HG23 THR A 123 -10.557 -0.560 16.188 1.00 0.00 H new ATOM 2067 N LEU A 124 -8.186 -2.888 13.092 1.00 0.00 N ATOM 2068 CA LEU A 124 -7.496 -3.496 11.971 1.00 0.00 C ATOM 2069 C LEU A 124 -6.299 -4.291 12.462 1.00 0.00 C ATOM 2070 O LEU A 124 -5.332 -3.722 12.968 1.00 0.00 O ATOM 2071 CB LEU A 124 -7.042 -2.420 10.983 1.00 0.00 C ATOM 2072 CG LEU A 124 -8.150 -1.847 10.103 1.00 0.00 C ATOM 2073 CD1 LEU A 124 -7.646 -0.654 9.311 1.00 0.00 C ATOM 2074 CD2 LEU A 124 -8.670 -2.917 9.161 1.00 0.00 C ATOM 0 H LEU A 124 -8.043 -1.881 13.175 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.183 -4.172 11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.583 -1.604 11.542 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -6.268 -2.840 10.340 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.963 -1.512 10.747 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -8.452 -0.262 8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.306 0.121 9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.817 -0.964 8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.460 -2.500 8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.856 -3.271 8.528 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.067 -3.750 9.741 1.00 0.00 H new ATOM 2086 N ARG A 125 -6.373 -5.609 12.341 1.00 0.00 N ATOM 2087 CA ARG A 125 -5.256 -6.461 12.716 1.00 0.00 C ATOM 2088 C ARG A 125 -4.201 -6.440 11.626 1.00 0.00 C ATOM 2089 O ARG A 125 -4.052 -7.383 10.848 1.00 0.00 O ATOM 2090 CB ARG A 125 -5.723 -7.884 13.013 1.00 0.00 C ATOM 2091 CG ARG A 125 -6.439 -7.989 14.344 1.00 0.00 C ATOM 2092 CD ARG A 125 -7.009 -9.374 14.582 1.00 0.00 C ATOM 2093 NE ARG A 125 -7.689 -9.456 15.875 1.00 0.00 N ATOM 2094 CZ ARG A 125 -8.995 -9.681 16.015 1.00 0.00 C ATOM 2095 NH1 ARG A 125 -9.759 -9.867 14.946 1.00 0.00 N ATOM 2096 NH2 ARG A 125 -9.542 -9.726 17.222 1.00 0.00 N ATOM 0 H ARG A 125 -7.190 -6.108 11.988 1.00 0.00 H new ATOM 0 HA ARG A 125 -4.812 -6.072 13.632 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.389 -8.219 12.218 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -4.863 -8.554 13.012 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.746 -7.741 15.148 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -7.245 -7.256 14.380 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -7.709 -9.623 13.785 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -6.207 -10.111 14.544 1.00 0.00 H new ATOM 0 HE ARG A 125 -7.130 -9.334 16.719 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -9.347 -9.838 14.013 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -10.758 -10.039 15.057 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.963 -9.588 18.050 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -10.542 -9.899 17.323 1.00 0.00 H new ATOM 2110 N LEU A 126 -3.501 -5.322 11.565 1.00 0.00 N ATOM 2111 CA LEU A 126 -2.470 -5.099 10.578 1.00 0.00 C ATOM 2112 C LEU A 126 -1.220 -5.865 10.967 1.00 0.00 C ATOM 2113 O LEU A 126 -0.736 -5.754 12.094 1.00 0.00 O ATOM 2114 CB LEU A 126 -2.184 -3.601 10.475 1.00 0.00 C ATOM 2115 CG LEU A 126 -3.430 -2.734 10.273 1.00 0.00 C ATOM 2116 CD1 LEU A 126 -3.098 -1.262 10.411 1.00 0.00 C ATOM 2117 CD2 LEU A 126 -4.058 -3.004 8.916 1.00 0.00 C ATOM 0 H LEU A 126 -3.636 -4.540 12.205 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.802 -5.457 9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.674 -3.277 11.382 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.498 -3.430 9.645 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.148 -2.998 11.050 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.001 -0.670 10.263 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.698 -1.071 11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.356 -0.985 9.663 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.942 -2.378 8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.338 -2.775 8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -4.345 -4.053 8.850 1.00 0.00 H new ATOM 2129 N ILE A 127 -0.713 -6.655 10.044 1.00 0.00 N ATOM 2130 CA ILE A 127 0.426 -7.507 10.315 1.00 0.00 C ATOM 2131 C ILE A 127 1.671 -6.952 9.637 1.00 0.00 C ATOM 2132 O ILE A 127 1.600 -5.957 8.914 1.00 0.00 O ATOM 2133 CB ILE A 127 0.163 -8.950 9.839 1.00 0.00 C ATOM 2134 CG1 ILE A 127 -0.197 -8.963 8.347 1.00 0.00 C ATOM 2135 CG2 ILE A 127 -0.954 -9.578 10.669 1.00 0.00 C ATOM 2136 CD1 ILE A 127 -0.480 -10.345 7.791 1.00 0.00 C ATOM 0 H ILE A 127 -1.075 -6.725 9.093 1.00 0.00 H new ATOM 0 HA ILE A 127 0.586 -7.527 11.393 1.00 0.00 H new ATOM 0 HB ILE A 127 1.070 -9.538 9.976 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -1.073 -8.333 8.190 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.622 -8.517 7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -1.133 -10.597 10.326 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -0.662 -9.595 11.719 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -1.866 -8.991 10.555 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.726 -10.268 6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 127 0.402 -10.974 7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -1.319 -10.788 8.327 1.00 0.00 H new ATOM 2148 N ARG A 128 2.807 -7.587 9.864 1.00 0.00 N ATOM 2149 CA ARG A 128 4.040 -7.124 9.262 1.00 0.00 C ATOM 2150 C ARG A 128 4.303 -7.921 8.001 1.00 0.00 C ATOM 2151 O ARG A 128 4.570 -9.118 8.052 1.00 0.00 O ATOM 2152 CB ARG A 128 5.218 -7.253 10.232 1.00 0.00 C ATOM 2153 CG ARG A 128 4.934 -6.697 11.619 1.00 0.00 C ATOM 2154 CD ARG A 128 6.176 -6.083 12.243 1.00 0.00 C ATOM 2155 NE ARG A 128 6.443 -4.744 11.712 1.00 0.00 N ATOM 2156 CZ ARG A 128 7.493 -4.425 10.956 1.00 0.00 C ATOM 2157 NH1 ARG A 128 8.409 -5.339 10.647 1.00 0.00 N ATOM 2158 NH2 ARG A 128 7.628 -3.180 10.517 1.00 0.00 N ATOM 0 H ARG A 128 2.900 -8.414 10.453 1.00 0.00 H new ATOM 0 HA ARG A 128 3.936 -6.067 9.016 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.490 -8.305 10.321 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.081 -6.735 9.813 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.148 -5.944 11.555 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.560 -7.494 12.261 1.00 0.00 H new ATOM 0 HD2 ARG A 128 6.051 -6.027 13.324 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.035 -6.727 12.054 1.00 0.00 H new ATOM 0 HE ARG A 128 5.778 -4.004 11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.311 -6.295 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.209 -5.084 10.068 1.00 0.00 H new ATOM 0 HH21 ARG A 128 6.931 -2.476 10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.429 -2.927 9.938 1.00 0.00 H new ATOM 2172 N ILE A 129 4.196 -7.254 6.873 1.00 0.00 N ATOM 2173 CA ILE A 129 4.305 -7.910 5.587 1.00 0.00 C ATOM 2174 C ILE A 129 5.585 -7.503 4.871 1.00 0.00 C ATOM 2175 O ILE A 129 5.887 -6.315 4.732 1.00 0.00 O ATOM 2176 CB ILE A 129 3.080 -7.586 4.708 1.00 0.00 C ATOM 2177 CG1 ILE A 129 1.847 -8.332 5.230 1.00 0.00 C ATOM 2178 CG2 ILE A 129 3.346 -7.925 3.248 1.00 0.00 C ATOM 2179 CD1 ILE A 129 0.590 -8.090 4.422 1.00 0.00 C ATOM 0 H ILE A 129 4.032 -6.249 6.820 1.00 0.00 H new ATOM 0 HA ILE A 129 4.338 -8.985 5.763 1.00 0.00 H new ATOM 0 HB ILE A 129 2.888 -6.515 4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 129 2.060 -9.401 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 129 1.665 -8.034 6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.465 -7.686 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 129 4.195 -7.344 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 129 3.569 -8.988 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -0.236 -8.653 4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.350 -7.027 4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 129 0.750 -8.415 3.394 1.00 0.00 H new ATOM 2191 N ASN A 130 6.342 -8.496 4.438 1.00 0.00 N ATOM 2192 CA ASN A 130 7.551 -8.255 3.676 1.00 0.00 C ATOM 2193 C ASN A 130 7.212 -8.249 2.193 1.00 0.00 C ATOM 2194 O ASN A 130 6.666 -9.230 1.691 1.00 0.00 O ATOM 2195 CB ASN A 130 8.596 -9.337 3.962 1.00 0.00 C ATOM 2196 CG ASN A 130 10.021 -8.840 3.786 1.00 0.00 C ATOM 2197 OD1 ASN A 130 10.674 -8.451 4.755 1.00 0.00 O ATOM 2198 ND2 ASN A 130 10.507 -8.828 2.555 1.00 0.00 N ATOM 0 H ASN A 130 6.138 -9.482 4.603 1.00 0.00 H new ATOM 0 HA ASN A 130 7.967 -7.290 3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 130 8.466 -9.701 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 130 8.427 -10.184 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.453 -8.488 2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 130 9.935 -9.159 1.778 1.00 0.00 H new ATOM 2205 N ASP A 131 7.498 -7.112 1.549 1.00 0.00 N ATOM 2206 CA ASP A 131 7.354 -6.872 0.091 1.00 0.00 C ATOM 2207 C ASP A 131 6.286 -7.727 -0.636 1.00 0.00 C ATOM 2208 O ASP A 131 5.229 -7.213 -0.996 1.00 0.00 O ATOM 2209 CB ASP A 131 8.727 -6.967 -0.616 1.00 0.00 C ATOM 2210 CG ASP A 131 9.300 -8.373 -0.733 1.00 0.00 C ATOM 2211 OD1 ASP A 131 9.251 -9.143 0.250 1.00 0.00 O ATOM 2212 OD2 ASP A 131 9.812 -8.713 -1.819 1.00 0.00 O ATOM 0 H ASP A 131 7.852 -6.293 2.042 1.00 0.00 H new ATOM 0 HA ASP A 131 6.967 -5.856 0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 131 8.632 -6.546 -1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 131 9.440 -6.345 -0.075 1.00 0.00 H new ATOM 2217 N LYS A 132 6.565 -9.013 -0.848 1.00 0.00 N ATOM 2218 CA LYS A 132 5.724 -9.886 -1.674 1.00 0.00 C ATOM 2219 C LYS A 132 4.359 -10.150 -1.054 1.00 0.00 C ATOM 2220 O LYS A 132 3.450 -10.620 -1.733 1.00 0.00 O ATOM 2221 CB LYS A 132 6.417 -11.235 -1.874 1.00 0.00 C ATOM 2222 CG LYS A 132 7.858 -11.138 -2.337 1.00 0.00 C ATOM 2223 CD LYS A 132 8.637 -12.373 -1.919 1.00 0.00 C ATOM 2224 CE LYS A 132 10.119 -12.244 -2.229 1.00 0.00 C ATOM 2225 NZ LYS A 132 10.920 -13.246 -1.476 1.00 0.00 N ATOM 0 H LYS A 132 7.380 -9.481 -0.453 1.00 0.00 H new ATOM 0 HA LYS A 132 5.578 -9.367 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 132 6.387 -11.788 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 132 5.852 -11.815 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 132 7.891 -11.030 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 132 8.323 -10.248 -1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 132 8.504 -12.541 -0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 132 8.234 -13.246 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 132 10.281 -12.376 -3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 132 10.459 -11.240 -1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.927 -13.132 -1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.783 -13.104 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 10.611 -14.204 -1.736 1.00 0.00 H new ATOM 2239 N GLY A 133 4.222 -9.860 0.224 1.00 0.00 N ATOM 2240 CA GLY A 133 3.020 -10.241 0.932 1.00 0.00 C ATOM 2241 C GLY A 133 3.314 -11.341 1.922 1.00 0.00 C ATOM 2242 O GLY A 133 2.415 -12.044 2.387 1.00 0.00 O ATOM 0 H GLY A 133 4.918 -9.369 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 133 2.608 -9.376 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.264 -10.576 0.222 1.00 0.00 H new ATOM 2246 N GLU A 134 4.593 -11.482 2.234 1.00 0.00 N ATOM 2247 CA GLU A 134 5.063 -12.504 3.150 1.00 0.00 C ATOM 2248 C GLU A 134 4.905 -12.032 4.590 1.00 0.00 C ATOM 2249 O GLU A 134 5.469 -11.010 4.983 1.00 0.00 O ATOM 2250 CB GLU A 134 6.524 -12.830 2.838 1.00 0.00 C ATOM 2251 CG GLU A 134 7.131 -13.900 3.729 1.00 0.00 C ATOM 2252 CD GLU A 134 8.522 -14.293 3.278 1.00 0.00 C ATOM 2253 OE1 GLU A 134 9.424 -13.432 3.302 1.00 0.00 O ATOM 2254 OE2 GLU A 134 8.710 -15.459 2.877 1.00 0.00 O ATOM 0 H GLU A 134 5.333 -10.890 1.858 1.00 0.00 H new ATOM 0 HA GLU A 134 4.467 -13.408 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 134 6.598 -13.154 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.115 -11.919 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 134 7.172 -13.536 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 134 6.488 -14.780 3.728 1.00 0.00 H new ATOM 2261 N GLN A 135 4.115 -12.766 5.360 1.00 0.00 N ATOM 2262 CA GLN A 135 3.867 -12.429 6.752 1.00 0.00 C ATOM 2263 C GLN A 135 5.128 -12.649 7.578 1.00 0.00 C ATOM 2264 O GLN A 135 5.621 -13.775 7.693 1.00 0.00 O ATOM 2265 CB GLN A 135 2.723 -13.277 7.302 1.00 0.00 C ATOM 2266 CG GLN A 135 2.214 -12.818 8.658 1.00 0.00 C ATOM 2267 CD GLN A 135 1.095 -13.694 9.183 1.00 0.00 C ATOM 2268 OE1 GLN A 135 0.356 -14.310 8.415 1.00 0.00 O ATOM 2269 NE2 GLN A 135 0.956 -13.752 10.497 1.00 0.00 N ATOM 0 H GLN A 135 3.632 -13.605 5.040 1.00 0.00 H new ATOM 0 HA GLN A 135 3.586 -11.378 6.814 1.00 0.00 H new ATOM 0 HB2 GLN A 135 1.897 -13.261 6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.056 -14.312 7.381 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.038 -12.820 9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 135 1.861 -11.790 8.581 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.589 -13.227 11.100 1.00 0.00 H new ATOM 0 HE22 GLN A 135 0.216 -14.322 10.907 1.00 0.00 H new ATOM 2278 N VAL A 136 5.642 -11.574 8.152 1.00 0.00 N ATOM 2279 CA VAL A 136 6.871 -11.635 8.920 1.00 0.00 C ATOM 2280 C VAL A 136 6.581 -12.105 10.340 1.00 0.00 C ATOM 2281 O VAL A 136 6.151 -11.327 11.193 1.00 0.00 O ATOM 2282 CB VAL A 136 7.586 -10.264 8.967 1.00 0.00 C ATOM 2283 CG1 VAL A 136 8.942 -10.385 9.649 1.00 0.00 C ATOM 2284 CG2 VAL A 136 7.738 -9.685 7.567 1.00 0.00 C ATOM 0 H VAL A 136 5.224 -10.645 8.099 1.00 0.00 H new ATOM 0 HA VAL A 136 7.531 -12.346 8.423 1.00 0.00 H new ATOM 0 HB VAL A 136 6.970 -9.581 9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.427 -9.409 9.671 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.806 -10.745 10.669 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.566 -11.088 9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.243 -8.721 7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.326 -10.367 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.753 -9.552 7.119 1.00 0.00 H new ATOM 2294 N VAL A 137 6.784 -13.393 10.568 1.00 0.00 N ATOM 2295 CA VAL A 137 6.603 -13.986 11.883 1.00 0.00 C ATOM 2296 C VAL A 137 7.900 -14.631 12.345 1.00 0.00 C ATOM 2297 O VAL A 137 8.688 -15.106 11.526 1.00 0.00 O ATOM 2298 CB VAL A 137 5.470 -15.037 11.891 1.00 0.00 C ATOM 2299 CG1 VAL A 137 4.122 -14.377 11.651 1.00 0.00 C ATOM 2300 CG2 VAL A 137 5.728 -16.121 10.851 1.00 0.00 C ATOM 0 H VAL A 137 7.078 -14.055 9.849 1.00 0.00 H new ATOM 0 HA VAL A 137 6.322 -13.186 12.567 1.00 0.00 H new ATOM 0 HB VAL A 137 5.452 -15.506 12.875 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.339 -15.135 11.661 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.930 -13.646 12.437 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.130 -13.875 10.683 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.917 -16.849 10.876 1.00 0.00 H new ATOM 0 HG22 VAL A 137 5.780 -15.670 9.860 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.671 -16.621 11.072 1.00 0.00 H new