USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 914 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 123 THR OG1 : rot 17:sc= 0.928 USER MOD Set 1.2: A 141 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 101 THR OG1 : rot 170:sc= 0.074 USER MOD Set 2.2: A 103 GLN : amide:sc= 0.717 K(o=0.79,f=-1.5) USER MOD Set 3.1: A 71 SER OG : rot 150:sc= 0 USER MOD Set 3.2: A 73 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 4.1: A 53 ASN : amide:sc= -0.574 K(o=-0.5,f=-3.9!) USER MOD Set 4.2: A 55 SER OG : rot -5:sc= 0.0752 USER MOD Single : A 29 THR OG1 : rot 180:sc= 1.13 USER MOD Single : A 31 GLN : amide:sc= 0.459 K(o=0.46,f=-5.1!) USER MOD Single : A 34 THR OG1 : rot -44:sc= 1.01 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 142:sc= 1.05 USER MOD Single : A 48 TYR OH : rot 166:sc= -0.0427 USER MOD Single : A 49 MET CE :methyl 178:sc= -0.169 (180deg=-0.172) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.893 K(o=0.89,f=-0.38) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -160:sc= -0.101 USER MOD Single : A 70 THR OG1 : rot 73:sc= 1.06 USER MOD Single : A 75 MET CE :methyl -165:sc= -0.316 (180deg=-0.877) USER MOD Single : A 76 THR OG1 : rot -179:sc= -0.22 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0905 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0511 X(o=-0.051,f=-0.0026) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 172:sc= 0 (180deg=-0.0793) USER MOD Single : A 86 MET CE :methyl 173:sc= 0 (180deg=-0.0442) USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= 0.841 (180deg=0.633) USER MOD Single : A 88 MET CE :methyl 172:sc=-0.00243 (180deg=-0.202) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.59 USER MOD Single : A 99 THR OG1 : rot -52:sc= 0.481 USER MOD Single : A 108 HIS : no HD1:sc= -2.42 K(o=-2.4,f=-6.1!) USER MOD Single : A 110 MET CE :methyl -170:sc= 0 (180deg=-0.0764) USER MOD Single : A 112 MET CE :methyl -168:sc= -0.0336 (180deg=-0.22) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -147:sc= 2 (180deg=-0.541) USER MOD Single : A 125 ASN : amide:sc= 0.968 K(o=0.97,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -48:sc= 0.411 USER MOD Single : A 137 ASN : amide:sc= 0.41 K(o=0.41,f=-5.4!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -108:sc= 1.23 (180deg=0.61) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -6.732 5.991 5.639 1.00 10.00 N ATOM 370 CA VAL A 28 -5.609 6.007 4.720 1.00 10.00 C ATOM 371 C VAL A 28 -4.480 5.079 5.176 1.00 10.00 C ATOM 372 O VAL A 28 -4.442 4.583 6.299 1.00 10.00 O ATOM 373 CB VAL A 28 -5.097 7.453 4.545 1.00 10.00 C ATOM 374 CG1 VAL A 28 -6.214 8.433 4.164 1.00 10.00 C ATOM 375 CG2 VAL A 28 -4.384 7.986 5.796 1.00 10.00 C ATOM 0 HA VAL A 28 -5.956 5.631 3.758 1.00 10.00 H new ATOM 0 HB VAL A 28 -4.380 7.393 3.726 1.00 10.00 H new ATOM 0 HG11 VAL A 28 -5.798 9.434 4.054 1.00 10.00 H new ATOM 0 HG12 VAL A 28 -6.665 8.122 3.222 1.00 10.00 H new ATOM 0 HG13 VAL A 28 -6.974 8.440 4.945 1.00 10.00 H new ATOM 0 HG21 VAL A 28 -4.046 9.006 5.615 1.00 10.00 H new ATOM 0 HG22 VAL A 28 -5.074 7.977 6.640 1.00 10.00 H new ATOM 0 HG23 VAL A 28 -3.525 7.354 6.023 1.00 10.00 H new ATOM 385 N THR A 29 -3.497 4.936 4.294 1.00 10.00 N ATOM 386 CA THR A 29 -2.381 4.026 4.305 1.00 10.00 C ATOM 387 C THR A 29 -1.316 4.558 5.267 1.00 10.00 C ATOM 388 O THR A 29 -0.235 4.993 4.867 1.00 10.00 O ATOM 389 CB THR A 29 -1.902 4.009 2.842 1.00 10.00 C ATOM 390 OG1 THR A 29 -1.795 5.335 2.349 1.00 10.00 O ATOM 391 CG2 THR A 29 -2.927 3.320 1.931 1.00 10.00 C ATOM 0 H THR A 29 -3.470 5.528 3.464 1.00 10.00 H new ATOM 0 HA THR A 29 -2.622 3.020 4.647 1.00 10.00 H new ATOM 0 HB THR A 29 -0.947 3.484 2.832 1.00 10.00 H new ATOM 0 HG1 THR A 29 -1.488 5.314 1.419 1.00 10.00 H new ATOM 0 HG21 THR A 29 -2.561 3.323 0.904 1.00 10.00 H new ATOM 0 HG22 THR A 29 -3.074 2.291 2.261 1.00 10.00 H new ATOM 0 HG23 THR A 29 -3.875 3.855 1.980 1.00 10.00 H new ATOM 399 N VAL A 30 -1.665 4.577 6.551 1.00 10.00 N ATOM 400 CA VAL A 30 -0.844 5.096 7.635 1.00 10.00 C ATOM 401 C VAL A 30 0.033 3.963 8.182 1.00 10.00 C ATOM 402 O VAL A 30 -0.370 3.231 9.081 1.00 10.00 O ATOM 403 CB VAL A 30 -1.744 5.804 8.675 1.00 10.00 C ATOM 404 CG1 VAL A 30 -2.728 4.892 9.419 1.00 10.00 C ATOM 405 CG2 VAL A 30 -0.900 6.587 9.687 1.00 10.00 C ATOM 0 H VAL A 30 -2.563 4.217 6.874 1.00 10.00 H new ATOM 0 HA VAL A 30 -0.152 5.865 7.292 1.00 10.00 H new ATOM 0 HB VAL A 30 -2.359 6.482 8.083 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -3.311 5.484 10.124 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.398 4.418 8.702 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -2.175 4.125 9.960 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -1.556 7.076 10.407 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -0.232 5.903 10.210 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.311 7.340 9.164 1.00 10.00 H new ATOM 415 N GLN A 31 1.225 3.781 7.605 1.00 10.00 N ATOM 416 CA GLN A 31 2.115 2.677 7.941 1.00 10.00 C ATOM 417 C GLN A 31 3.567 3.158 7.776 1.00 10.00 C ATOM 418 O GLN A 31 3.872 3.861 6.814 1.00 10.00 O ATOM 419 CB GLN A 31 1.731 1.484 7.046 1.00 10.00 C ATOM 420 CG GLN A 31 2.132 0.109 7.595 1.00 10.00 C ATOM 421 CD GLN A 31 3.603 -0.170 7.341 1.00 10.00 C ATOM 422 OE1 GLN A 31 4.001 -0.373 6.201 1.00 10.00 O ATOM 423 NE2 GLN A 31 4.428 -0.145 8.380 1.00 10.00 N ATOM 0 H GLN A 31 1.597 4.403 6.887 1.00 10.00 H new ATOM 0 HA GLN A 31 2.021 2.345 8.975 1.00 10.00 H new ATOM 0 HB2 GLN A 31 0.652 1.497 6.892 1.00 10.00 H new ATOM 0 HB3 GLN A 31 2.194 1.618 6.069 1.00 10.00 H new ATOM 0 HG2 GLN A 31 1.930 0.068 8.665 1.00 10.00 H new ATOM 0 HG3 GLN A 31 1.525 -0.665 7.126 1.00 10.00 H new ATOM 0 HE21 GLN A 31 4.063 0.027 9.317 1.00 10.00 H new ATOM 0 HE22 GLN A 31 5.427 -0.298 8.242 1.00 10.00 H new ATOM 432 N GLY A 32 4.431 2.854 8.751 1.00 10.00 N ATOM 433 CA GLY A 32 5.817 3.315 8.805 1.00 10.00 C ATOM 434 C GLY A 32 6.718 2.579 7.811 1.00 10.00 C ATOM 435 O GLY A 32 6.424 1.448 7.424 1.00 10.00 O ATOM 0 H GLY A 32 4.176 2.265 9.544 1.00 10.00 H new ATOM 0 HA2 GLY A 32 5.849 4.384 8.597 1.00 10.00 H new ATOM 0 HA3 GLY A 32 6.204 3.175 9.814 1.00 10.00 H new ATOM 439 N ALA A 33 7.818 3.213 7.393 1.00 10.00 N ATOM 440 CA ALA A 33 8.646 2.723 6.301 1.00 10.00 C ATOM 441 C ALA A 33 9.867 1.960 6.801 1.00 10.00 C ATOM 442 O ALA A 33 10.291 2.100 7.949 1.00 10.00 O ATOM 443 CB ALA A 33 9.066 3.907 5.424 1.00 10.00 C ATOM 0 H ALA A 33 8.155 4.082 7.807 1.00 10.00 H new ATOM 0 HA ALA A 33 8.059 2.017 5.714 1.00 10.00 H new ATOM 0 HB1 ALA A 33 9.687 3.549 4.603 1.00 10.00 H new ATOM 0 HB2 ALA A 33 8.178 4.395 5.022 1.00 10.00 H new ATOM 0 HB3 ALA A 33 9.632 4.621 6.023 1.00 10.00 H new ATOM 449 N THR A 34 10.470 1.180 5.903 1.00 10.00 N ATOM 450 CA THR A 34 11.802 0.640 6.079 1.00 10.00 C ATOM 451 C THR A 34 12.517 0.727 4.730 1.00 10.00 C ATOM 452 O THR A 34 11.838 0.832 3.710 1.00 10.00 O ATOM 453 CB THR A 34 11.727 -0.795 6.615 1.00 10.00 C ATOM 454 OG1 THR A 34 11.178 -1.681 5.668 1.00 10.00 O ATOM 455 CG2 THR A 34 10.885 -0.906 7.886 1.00 10.00 C ATOM 0 H THR A 34 10.033 0.907 5.023 1.00 10.00 H new ATOM 0 HA THR A 34 12.367 1.210 6.816 1.00 10.00 H new ATOM 0 HB THR A 34 12.760 -1.066 6.836 1.00 10.00 H new ATOM 0 HG1 THR A 34 10.396 -1.267 5.247 1.00 10.00 H new ATOM 0 HG21 THR A 34 10.867 -1.943 8.221 1.00 10.00 H new ATOM 0 HG22 THR A 34 11.319 -0.281 8.666 1.00 10.00 H new ATOM 0 HG23 THR A 34 9.868 -0.573 7.679 1.00 10.00 H new ATOM 463 N VAL A 35 13.854 0.719 4.712 1.00 10.00 N ATOM 464 CA VAL A 35 14.671 0.728 3.499 1.00 10.00 C ATOM 465 C VAL A 35 15.760 -0.335 3.677 1.00 10.00 C ATOM 466 O VAL A 35 16.380 -0.416 4.738 1.00 10.00 O ATOM 467 CB VAL A 35 15.285 2.126 3.287 1.00 10.00 C ATOM 468 CG1 VAL A 35 16.233 2.150 2.079 1.00 10.00 C ATOM 469 CG2 VAL A 35 14.195 3.182 3.064 1.00 10.00 C ATOM 0 H VAL A 35 14.411 0.706 5.566 1.00 10.00 H new ATOM 0 HA VAL A 35 14.071 0.502 2.618 1.00 10.00 H new ATOM 0 HB VAL A 35 15.846 2.357 4.193 1.00 10.00 H new ATOM 0 HG11 VAL A 35 16.647 3.152 1.961 1.00 10.00 H new ATOM 0 HG12 VAL A 35 17.044 1.439 2.239 1.00 10.00 H new ATOM 0 HG13 VAL A 35 15.682 1.876 1.179 1.00 10.00 H new ATOM 0 HG21 VAL A 35 14.658 4.158 2.917 1.00 10.00 H new ATOM 0 HG22 VAL A 35 13.611 2.921 2.181 1.00 10.00 H new ATOM 0 HG23 VAL A 35 13.540 3.218 3.935 1.00 10.00 H new ATOM 479 N ALA A 36 16.038 -1.151 2.660 1.00 10.00 N ATOM 480 CA ALA A 36 16.989 -2.258 2.800 1.00 10.00 C ATOM 481 C ALA A 36 18.454 -1.820 2.614 1.00 10.00 C ATOM 482 O ALA A 36 19.242 -2.524 1.983 1.00 10.00 O ATOM 483 CB ALA A 36 16.608 -3.362 1.817 1.00 10.00 C ATOM 0 H ALA A 36 15.621 -1.068 1.733 1.00 10.00 H new ATOM 0 HA ALA A 36 16.926 -2.633 3.821 1.00 10.00 H new ATOM 0 HB1 ALA A 36 17.309 -4.191 1.912 1.00 10.00 H new ATOM 0 HB2 ALA A 36 15.599 -3.712 2.036 1.00 10.00 H new ATOM 0 HB3 ALA A 36 16.643 -2.972 0.800 1.00 10.00 H new ATOM 489 N ALA A 37 18.824 -0.654 3.161 1.00 10.00 N ATOM 490 CA ALA A 37 20.049 0.084 2.828 1.00 10.00 C ATOM 491 C ALA A 37 20.289 0.051 1.316 1.00 10.00 C ATOM 492 O ALA A 37 19.318 -0.037 0.578 1.00 10.00 O ATOM 493 CB ALA A 37 21.242 -0.441 3.632 1.00 10.00 C ATOM 0 H ALA A 37 18.261 -0.184 3.870 1.00 10.00 H new ATOM 0 HA ALA A 37 19.927 1.129 3.112 1.00 10.00 H new ATOM 0 HB1 ALA A 37 22.136 0.123 3.366 1.00 10.00 H new ATOM 0 HB2 ALA A 37 21.043 -0.324 4.697 1.00 10.00 H new ATOM 0 HB3 ALA A 37 21.397 -1.496 3.406 1.00 10.00 H new ATOM 499 N VAL A 38 21.534 0.081 0.835 1.00 10.00 N ATOM 500 CA VAL A 38 21.824 -0.370 -0.526 1.00 10.00 C ATOM 501 C VAL A 38 22.302 -1.825 -0.447 1.00 10.00 C ATOM 502 O VAL A 38 23.240 -2.111 0.310 1.00 10.00 O ATOM 503 CB VAL A 38 22.808 0.552 -1.273 1.00 10.00 C ATOM 504 CG1 VAL A 38 22.245 1.975 -1.377 1.00 10.00 C ATOM 505 CG2 VAL A 38 24.226 0.585 -0.692 1.00 10.00 C ATOM 0 H VAL A 38 22.346 0.408 1.359 1.00 10.00 H new ATOM 0 HA VAL A 38 20.916 -0.319 -1.127 1.00 10.00 H new ATOM 0 HB VAL A 38 22.908 0.114 -2.266 1.00 10.00 H new ATOM 0 HG11 VAL A 38 22.955 2.609 -1.908 1.00 10.00 H new ATOM 0 HG12 VAL A 38 21.301 1.954 -1.921 1.00 10.00 H new ATOM 0 HG13 VAL A 38 22.079 2.375 -0.377 1.00 10.00 H new ATOM 0 HG21 VAL A 38 24.846 1.260 -1.283 1.00 10.00 H new ATOM 0 HG22 VAL A 38 24.189 0.936 0.339 1.00 10.00 H new ATOM 0 HG23 VAL A 38 24.654 -0.417 -0.719 1.00 10.00 H new ATOM 515 N PRO A 39 21.686 -2.769 -1.177 1.00 10.00 N ATOM 516 CA PRO A 39 22.292 -4.069 -1.439 1.00 10.00 C ATOM 517 C PRO A 39 23.563 -3.860 -2.279 1.00 10.00 C ATOM 518 O PRO A 39 23.815 -2.742 -2.731 1.00 10.00 O ATOM 519 CB PRO A 39 21.231 -4.871 -2.209 1.00 10.00 C ATOM 520 CG PRO A 39 19.933 -4.084 -2.022 1.00 10.00 C ATOM 521 CD PRO A 39 20.419 -2.646 -1.877 1.00 10.00 C ATOM 0 HA PRO A 39 22.584 -4.598 -0.532 1.00 10.00 H new ATOM 0 HB2 PRO A 39 21.491 -4.960 -3.264 1.00 10.00 H new ATOM 0 HB3 PRO A 39 21.139 -5.884 -1.817 1.00 10.00 H new ATOM 0 HG2 PRO A 39 19.265 -4.200 -2.875 1.00 10.00 H new ATOM 0 HG3 PRO A 39 19.384 -4.415 -1.140 1.00 10.00 H new ATOM 0 HD2 PRO A 39 20.545 -2.168 -2.848 1.00 10.00 H new ATOM 0 HD3 PRO A 39 19.709 -2.040 -1.313 1.00 10.00 H new ATOM 529 N PRO A 40 24.367 -4.899 -2.551 1.00 10.00 N ATOM 530 CA PRO A 40 25.479 -4.797 -3.490 1.00 10.00 C ATOM 531 C PRO A 40 24.946 -4.807 -4.931 1.00 10.00 C ATOM 532 O PRO A 40 25.357 -5.626 -5.750 1.00 10.00 O ATOM 533 CB PRO A 40 26.360 -6.007 -3.171 1.00 10.00 C ATOM 534 CG PRO A 40 25.340 -7.062 -2.736 1.00 10.00 C ATOM 535 CD PRO A 40 24.264 -6.247 -2.014 1.00 10.00 C ATOM 0 HA PRO A 40 26.048 -3.872 -3.398 1.00 10.00 H new ATOM 0 HB2 PRO A 40 26.932 -6.331 -4.040 1.00 10.00 H new ATOM 0 HB3 PRO A 40 27.078 -5.788 -2.381 1.00 10.00 H new ATOM 0 HG2 PRO A 40 24.930 -7.599 -3.591 1.00 10.00 H new ATOM 0 HG3 PRO A 40 25.789 -7.806 -2.078 1.00 10.00 H new ATOM 0 HD2 PRO A 40 23.272 -6.664 -2.190 1.00 10.00 H new ATOM 0 HD3 PRO A 40 24.425 -6.253 -0.936 1.00 10.00 H new ATOM 543 N SER A 41 24.024 -3.889 -5.229 1.00 10.00 N ATOM 544 CA SER A 41 23.234 -3.868 -6.446 1.00 10.00 C ATOM 545 C SER A 41 23.030 -2.411 -6.841 1.00 10.00 C ATOM 546 O SER A 41 21.898 -1.937 -6.868 1.00 10.00 O ATOM 547 CB SER A 41 21.887 -4.566 -6.198 1.00 10.00 C ATOM 548 OG SER A 41 22.085 -5.873 -5.688 1.00 10.00 O ATOM 0 H SER A 41 23.805 -3.115 -4.602 1.00 10.00 H new ATOM 0 HA SER A 41 23.741 -4.399 -7.252 1.00 10.00 H new ATOM 0 HB2 SER A 41 21.294 -3.982 -5.494 1.00 10.00 H new ATOM 0 HB3 SER A 41 21.321 -4.615 -7.128 1.00 10.00 H new ATOM 0 HG SER A 41 21.216 -6.300 -5.535 1.00 10.00 H new ATOM 554 N ILE A 42 24.133 -1.713 -7.135 1.00 10.00 N ATOM 555 CA ILE A 42 24.159 -0.300 -7.462 1.00 10.00 C ATOM 556 C ILE A 42 23.929 0.531 -6.190 1.00 10.00 C ATOM 557 O ILE A 42 23.513 0.024 -5.151 1.00 10.00 O ATOM 558 CB ILE A 42 23.200 0.028 -8.631 1.00 10.00 C ATOM 559 CG1 ILE A 42 23.304 -0.962 -9.811 1.00 10.00 C ATOM 560 CG2 ILE A 42 23.435 1.445 -9.150 1.00 10.00 C ATOM 561 CD1 ILE A 42 24.704 -1.056 -10.429 1.00 10.00 C ATOM 0 H ILE A 42 25.059 -2.140 -7.150 1.00 10.00 H new ATOM 0 HA ILE A 42 25.145 -0.023 -7.835 1.00 10.00 H new ATOM 0 HB ILE A 42 22.196 -0.061 -8.215 1.00 10.00 H new ATOM 0 HG12 ILE A 42 23.003 -1.952 -9.468 1.00 10.00 H new ATOM 0 HG13 ILE A 42 22.596 -0.664 -10.585 1.00 10.00 H new ATOM 0 HG21 ILE A 42 22.748 1.650 -9.971 1.00 10.00 H new ATOM 0 HG22 ILE A 42 23.263 2.160 -8.346 1.00 10.00 H new ATOM 0 HG23 ILE A 42 24.462 1.537 -9.504 1.00 10.00 H new ATOM 0 HD11 ILE A 42 24.692 -1.772 -11.251 1.00 10.00 H new ATOM 0 HD12 ILE A 42 25.002 -0.077 -10.805 1.00 10.00 H new ATOM 0 HD13 ILE A 42 25.415 -1.385 -9.671 1.00 10.00 H new ATOM 573 N ARG A 43 24.242 1.826 -6.258 1.00 10.00 N ATOM 574 CA ARG A 43 24.057 2.794 -5.182 1.00 10.00 C ATOM 575 C ARG A 43 22.576 3.201 -5.094 1.00 10.00 C ATOM 576 O ARG A 43 22.228 4.387 -5.104 1.00 10.00 O ATOM 577 CB ARG A 43 25.021 3.961 -5.431 1.00 10.00 C ATOM 578 CG ARG A 43 24.670 4.754 -6.698 1.00 10.00 C ATOM 579 CD ARG A 43 25.902 5.156 -7.515 1.00 10.00 C ATOM 580 NE ARG A 43 26.603 3.993 -8.089 1.00 10.00 N ATOM 581 CZ ARG A 43 27.468 4.045 -9.118 1.00 10.00 C ATOM 582 NH1 ARG A 43 27.793 5.223 -9.661 1.00 10.00 N ATOM 583 NH2 ARG A 43 28.006 2.918 -9.599 1.00 10.00 N ATOM 0 H ARG A 43 24.646 2.242 -7.097 1.00 10.00 H new ATOM 0 HA ARG A 43 24.298 2.374 -4.205 1.00 10.00 H new ATOM 0 HB2 ARG A 43 25.005 4.631 -4.571 1.00 10.00 H new ATOM 0 HB3 ARG A 43 26.037 3.576 -5.517 1.00 10.00 H new ATOM 0 HG2 ARG A 43 24.007 4.155 -7.322 1.00 10.00 H new ATOM 0 HG3 ARG A 43 24.119 5.651 -6.417 1.00 10.00 H new ATOM 0 HD2 ARG A 43 25.598 5.826 -8.319 1.00 10.00 H new ATOM 0 HD3 ARG A 43 26.590 5.713 -6.879 1.00 10.00 H new ATOM 0 HE ARG A 43 26.418 3.080 -7.674 1.00 10.00 H new ATOM 0 HH11 ARG A 43 27.385 6.083 -9.295 1.00 10.00 H new ATOM 0 HH12 ARG A 43 28.449 5.261 -10.441 1.00 10.00 H new ATOM 0 HH21 ARG A 43 27.760 2.019 -9.185 1.00 10.00 H new ATOM 0 HH22 ARG A 43 28.662 2.958 -10.379 1.00 10.00 H new ATOM 597 N ASP A 44 21.719 2.181 -5.058 1.00 10.00 N ATOM 598 CA ASP A 44 20.294 2.226 -5.329 1.00 10.00 C ATOM 599 C ASP A 44 19.579 1.347 -4.305 1.00 10.00 C ATOM 600 O ASP A 44 20.210 0.492 -3.682 1.00 10.00 O ATOM 601 CB ASP A 44 20.069 1.703 -6.754 1.00 10.00 C ATOM 602 CG ASP A 44 18.603 1.657 -7.159 1.00 10.00 C ATOM 603 OD1 ASP A 44 17.823 2.435 -6.569 1.00 10.00 O ATOM 604 OD2 ASP A 44 18.293 0.851 -8.059 1.00 10.00 O ATOM 0 H ASP A 44 22.030 1.239 -4.822 1.00 10.00 H new ATOM 0 HA ASP A 44 19.901 3.240 -5.253 1.00 10.00 H new ATOM 0 HB2 ASP A 44 20.612 2.337 -7.455 1.00 10.00 H new ATOM 0 HB3 ASP A 44 20.492 0.702 -6.836 1.00 10.00 H new ATOM 609 N THR A 45 18.280 1.567 -4.114 1.00 10.00 N ATOM 610 CA THR A 45 17.458 0.852 -3.155 1.00 10.00 C ATOM 611 C THR A 45 15.992 1.224 -3.347 1.00 10.00 C ATOM 612 O THR A 45 15.644 2.034 -4.203 1.00 10.00 O ATOM 613 CB THR A 45 17.933 1.119 -1.718 1.00 10.00 C ATOM 614 OG1 THR A 45 17.136 0.391 -0.803 1.00 10.00 O ATOM 615 CG2 THR A 45 17.936 2.600 -1.326 1.00 10.00 C ATOM 0 H THR A 45 17.760 2.269 -4.640 1.00 10.00 H new ATOM 0 HA THR A 45 17.559 -0.219 -3.330 1.00 10.00 H new ATOM 0 HB THR A 45 18.970 0.787 -1.679 1.00 10.00 H new ATOM 0 HG1 THR A 45 17.700 0.049 -0.078 1.00 10.00 H new ATOM 0 HG21 THR A 45 18.284 2.704 -0.298 1.00 10.00 H new ATOM 0 HG22 THR A 45 18.601 3.151 -1.991 1.00 10.00 H new ATOM 0 HG23 THR A 45 16.926 3.001 -1.409 1.00 10.00 H new ATOM 623 N ALA A 46 15.136 0.638 -2.513 1.00 10.00 N ATOM 624 CA ALA A 46 13.724 0.920 -2.433 1.00 10.00 C ATOM 625 C ALA A 46 13.301 0.943 -0.970 1.00 10.00 C ATOM 626 O ALA A 46 14.005 0.405 -0.115 1.00 10.00 O ATOM 627 CB ALA A 46 12.950 -0.141 -3.219 1.00 10.00 C ATOM 0 H ALA A 46 15.432 -0.077 -1.849 1.00 10.00 H new ATOM 0 HA ALA A 46 13.506 1.895 -2.870 1.00 10.00 H new ATOM 0 HB1 ALA A 46 11.882 0.070 -3.160 1.00 10.00 H new ATOM 0 HB2 ALA A 46 13.266 -0.124 -4.262 1.00 10.00 H new ATOM 0 HB3 ALA A 46 13.149 -1.125 -2.795 1.00 10.00 H new ATOM 633 N ALA A 47 12.149 1.553 -0.686 1.00 10.00 N ATOM 634 CA ALA A 47 11.490 1.369 0.596 1.00 10.00 C ATOM 635 C ALA A 47 10.628 0.112 0.557 1.00 10.00 C ATOM 636 O ALA A 47 10.227 -0.345 -0.514 1.00 10.00 O ATOM 637 CB ALA A 47 10.670 2.590 1.007 1.00 10.00 C ATOM 0 H ALA A 47 11.659 2.176 -1.328 1.00 10.00 H new ATOM 0 HA ALA A 47 12.262 1.248 1.356 1.00 10.00 H new ATOM 0 HB1 ALA A 47 10.197 2.403 1.971 1.00 10.00 H new ATOM 0 HB2 ALA A 47 11.324 3.458 1.086 1.00 10.00 H new ATOM 0 HB3 ALA A 47 9.902 2.782 0.258 1.00 10.00 H new ATOM 643 N TYR A 48 10.370 -0.439 1.741 1.00 10.00 N ATOM 644 CA TYR A 48 9.664 -1.677 1.974 1.00 10.00 C ATOM 645 C TYR A 48 8.617 -1.318 3.028 1.00 10.00 C ATOM 646 O TYR A 48 8.981 -0.990 4.160 1.00 10.00 O ATOM 647 CB TYR A 48 10.640 -2.770 2.439 1.00 10.00 C ATOM 648 CG TYR A 48 11.678 -3.216 1.414 1.00 10.00 C ATOM 649 CD1 TYR A 48 12.705 -2.339 1.015 1.00 10.00 C ATOM 650 CD2 TYR A 48 11.674 -4.536 0.918 1.00 10.00 C ATOM 651 CE1 TYR A 48 13.625 -2.729 0.029 1.00 10.00 C ATOM 652 CE2 TYR A 48 12.688 -4.967 0.039 1.00 10.00 C ATOM 653 CZ TYR A 48 13.656 -4.054 -0.418 1.00 10.00 C ATOM 654 OH TYR A 48 14.622 -4.423 -1.302 1.00 10.00 O ATOM 0 H TYR A 48 10.671 0.001 2.610 1.00 10.00 H new ATOM 0 HA TYR A 48 9.192 -2.087 1.081 1.00 10.00 H new ATOM 0 HB2 TYR A 48 11.164 -2.410 3.325 1.00 10.00 H new ATOM 0 HB3 TYR A 48 10.061 -3.642 2.744 1.00 10.00 H new ATOM 0 HD1 TYR A 48 12.785 -1.363 1.469 1.00 10.00 H new ATOM 0 HD2 TYR A 48 10.891 -5.219 1.213 1.00 10.00 H new ATOM 0 HE1 TYR A 48 14.310 -2.004 -0.385 1.00 10.00 H new ATOM 0 HE2 TYR A 48 12.722 -5.997 -0.283 1.00 10.00 H new ATOM 0 HH TYR A 48 14.667 -5.401 -1.348 1.00 10.00 H new ATOM 664 N MET A 49 7.343 -1.269 2.633 1.00 10.00 N ATOM 665 CA MET A 49 6.220 -0.914 3.494 1.00 10.00 C ATOM 666 C MET A 49 4.929 -1.494 2.913 1.00 10.00 C ATOM 667 O MET A 49 4.962 -2.150 1.877 1.00 10.00 O ATOM 668 CB MET A 49 6.137 0.607 3.737 1.00 10.00 C ATOM 669 CG MET A 49 5.532 1.439 2.597 1.00 10.00 C ATOM 670 SD MET A 49 4.492 2.832 3.117 1.00 10.00 S ATOM 671 CE MET A 49 5.671 3.792 4.084 1.00 10.00 C ATOM 0 H MET A 49 7.059 -1.482 1.677 1.00 10.00 H new ATOM 0 HA MET A 49 6.375 -1.355 4.479 1.00 10.00 H new ATOM 0 HB2 MET A 49 5.548 0.779 4.638 1.00 10.00 H new ATOM 0 HB3 MET A 49 7.142 0.978 3.937 1.00 10.00 H new ATOM 0 HG2 MET A 49 6.344 1.824 1.981 1.00 10.00 H new ATOM 0 HG3 MET A 49 4.937 0.780 1.965 1.00 10.00 H new ATOM 0 HE1 MET A 49 5.191 4.702 4.444 1.00 10.00 H new ATOM 0 HE2 MET A 49 6.011 3.201 4.934 1.00 10.00 H new ATOM 0 HE3 MET A 49 6.525 4.055 3.460 1.00 10.00 H new ATOM 681 N THR A 50 3.797 -1.203 3.549 1.00 10.00 N ATOM 682 CA THR A 50 2.479 -1.661 3.156 1.00 10.00 C ATOM 683 C THR A 50 1.543 -0.456 3.049 1.00 10.00 C ATOM 684 O THR A 50 1.243 0.190 4.057 1.00 10.00 O ATOM 685 CB THR A 50 1.994 -2.658 4.215 1.00 10.00 C ATOM 686 OG1 THR A 50 2.909 -3.732 4.303 1.00 10.00 O ATOM 687 CG2 THR A 50 0.616 -3.206 3.859 1.00 10.00 C ATOM 0 H THR A 50 3.779 -0.618 4.385 1.00 10.00 H new ATOM 0 HA THR A 50 2.500 -2.155 2.185 1.00 10.00 H new ATOM 0 HB THR A 50 1.927 -2.138 5.171 1.00 10.00 H new ATOM 0 HG1 THR A 50 2.601 -4.369 4.981 1.00 10.00 H new ATOM 0 HG21 THR A 50 0.295 -3.911 4.626 1.00 10.00 H new ATOM 0 HG22 THR A 50 -0.098 -2.385 3.800 1.00 10.00 H new ATOM 0 HG23 THR A 50 0.664 -3.715 2.896 1.00 10.00 H new ATOM 695 N LEU A 51 0.985 -0.199 1.860 1.00 10.00 N ATOM 696 CA LEU A 51 -0.082 0.776 1.751 1.00 10.00 C ATOM 697 C LEU A 51 -1.292 0.033 2.246 1.00 10.00 C ATOM 698 O LEU A 51 -1.766 -0.896 1.611 1.00 10.00 O ATOM 699 CB LEU A 51 -0.345 1.229 0.313 1.00 10.00 C ATOM 700 CG LEU A 51 0.262 2.607 -0.001 1.00 10.00 C ATOM 701 CD1 LEU A 51 1.672 2.824 0.563 1.00 10.00 C ATOM 702 CD2 LEU A 51 0.258 2.855 -1.511 1.00 10.00 C ATOM 0 H LEU A 51 1.254 -0.646 0.984 1.00 10.00 H new ATOM 0 HA LEU A 51 0.168 1.680 2.307 1.00 10.00 H new ATOM 0 HB2 LEU A 51 0.066 0.491 -0.376 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -1.421 1.263 0.139 1.00 10.00 H new ATOM 0 HG LEU A 51 -0.376 3.331 0.506 1.00 10.00 H new ATOM 0 HD11 LEU A 51 2.022 3.821 0.294 1.00 10.00 H new ATOM 0 HD12 LEU A 51 1.648 2.728 1.649 1.00 10.00 H new ATOM 0 HD13 LEU A 51 2.349 2.078 0.147 1.00 10.00 H new ATOM 0 HD21 LEU A 51 0.690 3.834 -1.720 1.00 10.00 H new ATOM 0 HD22 LEU A 51 0.847 2.084 -2.008 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -0.766 2.824 -1.882 1.00 10.00 H new ATOM 714 N THR A 52 -1.728 0.449 3.422 1.00 10.00 N ATOM 715 CA THR A 52 -2.747 -0.191 4.210 1.00 10.00 C ATOM 716 C THR A 52 -4.079 0.494 3.926 1.00 10.00 C ATOM 717 O THR A 52 -4.587 1.243 4.755 1.00 10.00 O ATOM 718 CB THR A 52 -2.326 -0.021 5.671 1.00 10.00 C ATOM 719 OG1 THR A 52 -0.995 -0.484 5.855 1.00 10.00 O ATOM 720 CG2 THR A 52 -3.249 -0.871 6.546 1.00 10.00 C ATOM 0 H THR A 52 -1.356 1.287 3.869 1.00 10.00 H new ATOM 0 HA THR A 52 -2.863 -1.250 3.977 1.00 10.00 H new ATOM 0 HB THR A 52 -2.388 1.033 5.940 1.00 10.00 H new ATOM 0 HG1 THR A 52 -0.735 -0.369 6.793 1.00 10.00 H new ATOM 0 HG21 THR A 52 -2.962 -0.761 7.592 1.00 10.00 H new ATOM 0 HG22 THR A 52 -4.280 -0.541 6.416 1.00 10.00 H new ATOM 0 HG23 THR A 52 -3.164 -1.918 6.255 1.00 10.00 H new ATOM 728 N ASN A 53 -4.636 0.301 2.735 1.00 10.00 N ATOM 729 CA ASN A 53 -5.882 0.982 2.413 1.00 10.00 C ATOM 730 C ASN A 53 -7.063 0.191 2.969 1.00 10.00 C ATOM 731 O ASN A 53 -7.148 -1.017 2.751 1.00 10.00 O ATOM 732 CB ASN A 53 -6.022 1.161 0.911 1.00 10.00 C ATOM 733 CG ASN A 53 -7.130 2.154 0.619 1.00 10.00 C ATOM 734 OD1 ASN A 53 -8.302 1.843 0.797 1.00 10.00 O ATOM 735 ND2 ASN A 53 -6.751 3.359 0.204 1.00 10.00 N ATOM 0 H ASN A 53 -4.260 -0.299 2.001 1.00 10.00 H new ATOM 0 HA ASN A 53 -5.870 1.970 2.872 1.00 10.00 H new ATOM 0 HB2 ASN A 53 -5.082 1.515 0.487 1.00 10.00 H new ATOM 0 HB3 ASN A 53 -6.244 0.204 0.439 1.00 10.00 H new ATOM 0 HD21 ASN A 53 -7.451 4.078 0.018 1.00 10.00 H new ATOM 0 HD22 ASN A 53 -5.761 3.565 0.072 1.00 10.00 H new ATOM 742 N LYS A 54 -7.966 0.863 3.686 1.00 10.00 N ATOM 743 CA LYS A 54 -9.212 0.282 4.161 1.00 10.00 C ATOM 744 C LYS A 54 -10.326 1.298 3.912 1.00 10.00 C ATOM 745 O LYS A 54 -11.045 1.675 4.835 1.00 10.00 O ATOM 746 CB LYS A 54 -9.073 -0.062 5.655 1.00 10.00 C ATOM 747 CG LYS A 54 -8.082 -1.215 5.881 1.00 10.00 C ATOM 748 CD LYS A 54 -7.947 -1.619 7.360 1.00 10.00 C ATOM 749 CE LYS A 54 -9.203 -2.224 8.014 1.00 10.00 C ATOM 750 NZ LYS A 54 -9.570 -3.549 7.480 1.00 10.00 N ATOM 0 H LYS A 54 -7.845 1.840 3.954 1.00 10.00 H new ATOM 0 HA LYS A 54 -9.451 -0.641 3.633 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -8.738 0.819 6.202 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -10.048 -0.335 6.058 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -8.404 -2.081 5.303 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -7.103 -0.924 5.500 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -7.134 -2.340 7.446 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -7.653 -0.738 7.931 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -9.038 -2.308 9.088 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -10.040 -1.541 7.873 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -10.423 -3.895 7.965 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -9.759 -3.472 6.460 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -8.788 -4.216 7.638 1.00 10.00 H new ATOM 764 N SER A 55 -10.484 1.725 2.658 1.00 10.00 N ATOM 765 CA SER A 55 -11.475 2.721 2.296 1.00 10.00 C ATOM 766 C SER A 55 -11.820 2.629 0.810 1.00 10.00 C ATOM 767 O SER A 55 -11.126 1.971 0.030 1.00 10.00 O ATOM 768 CB SER A 55 -10.951 4.111 2.684 1.00 10.00 C ATOM 769 OG SER A 55 -9.673 4.342 2.119 1.00 10.00 O ATOM 0 H SER A 55 -9.927 1.387 1.873 1.00 10.00 H new ATOM 0 HA SER A 55 -12.401 2.537 2.841 1.00 10.00 H new ATOM 0 HB2 SER A 55 -11.648 4.876 2.342 1.00 10.00 H new ATOM 0 HB3 SER A 55 -10.894 4.193 3.769 1.00 10.00 H new ATOM 0 HG SER A 55 -9.364 3.530 1.666 1.00 10.00 H new ATOM 775 N ASP A 56 -12.916 3.297 0.448 1.00 10.00 N ATOM 776 CA ASP A 56 -13.501 3.443 -0.875 1.00 10.00 C ATOM 777 C ASP A 56 -13.284 4.874 -1.401 1.00 10.00 C ATOM 778 O ASP A 56 -14.043 5.352 -2.239 1.00 10.00 O ATOM 779 CB ASP A 56 -14.996 3.087 -0.774 1.00 10.00 C ATOM 780 CG ASP A 56 -15.779 3.944 0.221 1.00 10.00 C ATOM 781 OD1 ASP A 56 -15.179 4.317 1.259 1.00 10.00 O ATOM 782 OD2 ASP A 56 -16.978 4.166 -0.042 1.00 10.00 O ATOM 0 H ASP A 56 -13.466 3.796 1.147 1.00 10.00 H new ATOM 0 HA ASP A 56 -13.021 2.772 -1.587 1.00 10.00 H new ATOM 0 HB2 ASP A 56 -15.450 3.189 -1.760 1.00 10.00 H new ATOM 0 HB3 ASP A 56 -15.090 2.040 -0.487 1.00 10.00 H new ATOM 787 N GLN A 57 -12.216 5.547 -0.946 1.00 10.00 N ATOM 788 CA GLN A 57 -11.822 6.892 -1.346 1.00 10.00 C ATOM 789 C GLN A 57 -10.482 6.784 -2.075 1.00 10.00 C ATOM 790 O GLN A 57 -9.596 6.094 -1.575 1.00 10.00 O ATOM 791 CB GLN A 57 -11.638 7.768 -0.096 1.00 10.00 C ATOM 792 CG GLN A 57 -12.923 8.498 0.318 1.00 10.00 C ATOM 793 CD GLN A 57 -14.086 7.543 0.550 1.00 10.00 C ATOM 794 OE1 GLN A 57 -15.094 7.615 -0.142 1.00 10.00 O ATOM 795 NE2 GLN A 57 -13.937 6.642 1.514 1.00 10.00 N ATOM 0 H GLN A 57 -11.580 5.144 -0.258 1.00 10.00 H new ATOM 0 HA GLN A 57 -12.583 7.337 -1.987 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -11.298 7.145 0.731 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -10.854 8.502 -0.285 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -12.737 9.067 1.229 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -13.195 9.216 -0.456 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -13.078 6.621 2.064 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -14.681 5.971 1.704 1.00 10.00 H new ATOM 804 N PRO A 58 -10.293 7.445 -3.225 1.00 10.00 N ATOM 805 CA PRO A 58 -9.018 7.436 -3.920 1.00 10.00 C ATOM 806 C PRO A 58 -7.990 8.253 -3.133 1.00 10.00 C ATOM 807 O PRO A 58 -8.227 9.429 -2.867 1.00 10.00 O ATOM 808 CB PRO A 58 -9.313 8.030 -5.294 1.00 10.00 C ATOM 809 CG PRO A 58 -10.487 8.975 -5.037 1.00 10.00 C ATOM 810 CD PRO A 58 -11.265 8.270 -3.925 1.00 10.00 C ATOM 0 HA PRO A 58 -8.589 6.439 -4.019 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -8.450 8.563 -5.693 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.572 7.257 -6.017 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -10.148 9.964 -4.727 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.096 9.113 -5.930 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.724 8.992 -3.250 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -12.071 7.662 -4.336 1.00 10.00 H new ATOM 818 N ILE A 59 -6.866 7.637 -2.742 1.00 10.00 N ATOM 819 CA ILE A 59 -5.832 8.300 -1.939 1.00 10.00 C ATOM 820 C ILE A 59 -4.456 7.996 -2.532 1.00 10.00 C ATOM 821 O ILE A 59 -3.745 7.124 -2.041 1.00 10.00 O ATOM 822 CB ILE A 59 -5.910 7.911 -0.439 1.00 10.00 C ATOM 823 CG1 ILE A 59 -7.299 8.104 0.204 1.00 10.00 C ATOM 824 CG2 ILE A 59 -4.902 8.741 0.377 1.00 10.00 C ATOM 825 CD1 ILE A 59 -7.742 6.820 0.910 1.00 10.00 C ATOM 0 H ILE A 59 -6.649 6.668 -2.973 1.00 10.00 H new ATOM 0 HA ILE A 59 -6.005 9.375 -1.977 1.00 10.00 H new ATOM 0 HB ILE A 59 -5.682 6.845 -0.416 1.00 10.00 H new ATOM 0 HG12 ILE A 59 -7.265 8.927 0.918 1.00 10.00 H new ATOM 0 HG13 ILE A 59 -8.026 8.376 -0.561 1.00 10.00 H new ATOM 0 HG21 ILE A 59 -4.966 8.460 1.428 1.00 10.00 H new ATOM 0 HG22 ILE A 59 -3.893 8.551 0.011 1.00 10.00 H new ATOM 0 HG23 ILE A 59 -5.133 9.801 0.271 1.00 10.00 H new ATOM 0 HD11 ILE A 59 -8.724 6.972 1.359 1.00 10.00 H new ATOM 0 HD12 ILE A 59 -7.796 6.007 0.186 1.00 10.00 H new ATOM 0 HD13 ILE A 59 -7.023 6.566 1.688 1.00 10.00 H new ATOM 837 N LYS A 60 -4.059 8.735 -3.569 1.00 10.00 N ATOM 838 CA LYS A 60 -2.767 8.539 -4.214 1.00 10.00 C ATOM 839 C LYS A 60 -1.655 9.201 -3.391 1.00 10.00 C ATOM 840 O LYS A 60 -1.900 9.747 -2.317 1.00 10.00 O ATOM 841 CB LYS A 60 -2.828 9.057 -5.662 1.00 10.00 C ATOM 842 CG LYS A 60 -3.120 10.557 -5.762 1.00 10.00 C ATOM 843 CD LYS A 60 -3.259 11.013 -7.220 1.00 10.00 C ATOM 844 CE LYS A 60 -3.873 12.420 -7.234 1.00 10.00 C ATOM 845 NZ LYS A 60 -3.911 13.022 -8.580 1.00 10.00 N ATOM 0 H LYS A 60 -4.622 9.480 -3.980 1.00 10.00 H new ATOM 0 HA LYS A 60 -2.530 7.476 -4.259 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -1.879 8.846 -6.155 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -3.598 8.508 -6.204 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -4.038 10.786 -5.220 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -2.318 11.117 -5.281 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -2.285 11.020 -7.709 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -3.890 10.319 -7.775 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -4.886 12.372 -6.836 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -3.300 13.067 -6.569 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -4.335 13.970 -8.525 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -2.944 13.097 -8.954 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -4.481 12.424 -9.212 1.00 10.00 H new ATOM 859 N LEU A 61 -0.415 9.098 -3.869 1.00 10.00 N ATOM 860 CA LEU A 61 0.792 9.481 -3.165 1.00 10.00 C ATOM 861 C LEU A 61 1.807 9.763 -4.265 1.00 10.00 C ATOM 862 O LEU A 61 1.854 8.986 -5.215 1.00 10.00 O ATOM 863 CB LEU A 61 1.164 8.290 -2.265 1.00 10.00 C ATOM 864 CG LEU A 61 2.610 8.157 -1.773 1.00 10.00 C ATOM 865 CD1 LEU A 61 3.588 7.750 -2.882 1.00 10.00 C ATOM 866 CD2 LEU A 61 3.102 9.389 -1.018 1.00 10.00 C ATOM 0 H LEU A 61 -0.224 8.728 -4.800 1.00 10.00 H new ATOM 0 HA LEU A 61 0.715 10.359 -2.524 1.00 10.00 H new ATOM 0 HB2 LEU A 61 0.519 8.326 -1.387 1.00 10.00 H new ATOM 0 HB3 LEU A 61 0.915 7.377 -2.806 1.00 10.00 H new ATOM 0 HG LEU A 61 2.588 7.337 -1.056 1.00 10.00 H new ATOM 0 HD11 LEU A 61 4.594 7.673 -2.470 1.00 10.00 H new ATOM 0 HD12 LEU A 61 3.290 6.786 -3.294 1.00 10.00 H new ATOM 0 HD13 LEU A 61 3.576 8.501 -3.671 1.00 10.00 H new ATOM 0 HD21 LEU A 61 4.132 9.232 -0.697 1.00 10.00 H new ATOM 0 HD22 LEU A 61 3.055 10.259 -1.672 1.00 10.00 H new ATOM 0 HD23 LEU A 61 2.471 9.557 -0.145 1.00 10.00 H new ATOM 878 N VAL A 62 2.587 10.848 -4.174 1.00 10.00 N ATOM 879 CA VAL A 62 3.632 11.150 -5.145 1.00 10.00 C ATOM 880 C VAL A 62 4.748 11.954 -4.464 1.00 10.00 C ATOM 881 O VAL A 62 5.142 13.027 -4.914 1.00 10.00 O ATOM 882 CB VAL A 62 2.991 11.847 -6.368 1.00 10.00 C ATOM 883 CG1 VAL A 62 2.162 13.088 -6.005 1.00 10.00 C ATOM 884 CG2 VAL A 62 3.999 12.192 -7.472 1.00 10.00 C ATOM 0 H VAL A 62 2.507 11.536 -3.425 1.00 10.00 H new ATOM 0 HA VAL A 62 4.109 10.245 -5.521 1.00 10.00 H new ATOM 0 HB VAL A 62 2.306 11.097 -6.764 1.00 10.00 H new ATOM 0 HG11 VAL A 62 1.744 13.524 -6.912 1.00 10.00 H new ATOM 0 HG12 VAL A 62 1.353 12.801 -5.333 1.00 10.00 H new ATOM 0 HG13 VAL A 62 2.801 13.821 -5.511 1.00 10.00 H new ATOM 0 HG21 VAL A 62 3.481 12.678 -8.299 1.00 10.00 H new ATOM 0 HG22 VAL A 62 4.759 12.865 -7.074 1.00 10.00 H new ATOM 0 HG23 VAL A 62 4.475 11.278 -7.829 1.00 10.00 H new ATOM 894 N GLY A 63 5.297 11.431 -3.365 1.00 10.00 N ATOM 895 CA GLY A 63 6.523 11.977 -2.810 1.00 10.00 C ATOM 896 C GLY A 63 7.156 11.009 -1.822 1.00 10.00 C ATOM 897 O GLY A 63 6.438 10.260 -1.162 1.00 10.00 O ATOM 0 H GLY A 63 4.912 10.638 -2.851 1.00 10.00 H new ATOM 0 HA2 GLY A 63 7.226 12.192 -3.615 1.00 10.00 H new ATOM 0 HA3 GLY A 63 6.311 12.923 -2.312 1.00 10.00 H new ATOM 901 N ALA A 64 8.483 11.065 -1.699 1.00 10.00 N ATOM 902 CA ALA A 64 9.263 10.425 -0.647 1.00 10.00 C ATOM 903 C ALA A 64 10.605 11.155 -0.528 1.00 10.00 C ATOM 904 O ALA A 64 11.641 10.633 -0.933 1.00 10.00 O ATOM 905 CB ALA A 64 9.444 8.940 -0.965 1.00 10.00 C ATOM 0 H ALA A 64 9.065 11.580 -2.359 1.00 10.00 H new ATOM 0 HA ALA A 64 8.747 10.487 0.311 1.00 10.00 H new ATOM 0 HB1 ALA A 64 10.028 8.467 -0.175 1.00 10.00 H new ATOM 0 HB2 ALA A 64 8.467 8.460 -1.031 1.00 10.00 H new ATOM 0 HB3 ALA A 64 9.966 8.833 -1.916 1.00 10.00 H new ATOM 911 N ALA A 65 10.588 12.383 -0.010 1.00 10.00 N ATOM 912 CA ALA A 65 11.785 13.209 0.101 1.00 10.00 C ATOM 913 C ALA A 65 12.526 12.819 1.377 1.00 10.00 C ATOM 914 O ALA A 65 11.881 12.542 2.386 1.00 10.00 O ATOM 915 CB ALA A 65 11.382 14.685 0.136 1.00 10.00 C ATOM 0 H ALA A 65 9.743 12.831 0.344 1.00 10.00 H new ATOM 0 HA ALA A 65 12.440 13.053 -0.756 1.00 10.00 H new ATOM 0 HB1 ALA A 65 12.275 15.304 0.219 1.00 10.00 H new ATOM 0 HB2 ALA A 65 10.849 14.938 -0.780 1.00 10.00 H new ATOM 0 HB3 ALA A 65 10.735 14.865 0.994 1.00 10.00 H new ATOM 921 N THR A 66 13.863 12.767 1.350 1.00 10.00 N ATOM 922 CA THR A 66 14.631 12.291 2.493 1.00 10.00 C ATOM 923 C THR A 66 16.124 12.598 2.328 1.00 10.00 C ATOM 924 O THR A 66 16.656 12.482 1.221 1.00 10.00 O ATOM 925 CB THR A 66 14.393 10.780 2.669 1.00 10.00 C ATOM 926 OG1 THR A 66 15.185 10.260 3.717 1.00 10.00 O ATOM 927 CG2 THR A 66 14.614 9.959 1.394 1.00 10.00 C ATOM 0 H THR A 66 14.429 13.049 0.549 1.00 10.00 H new ATOM 0 HA THR A 66 14.295 12.814 3.388 1.00 10.00 H new ATOM 0 HB THR A 66 13.337 10.685 2.920 1.00 10.00 H new ATOM 0 HG1 THR A 66 15.268 9.289 3.613 1.00 10.00 H new ATOM 0 HG21 THR A 66 14.426 8.906 1.602 1.00 10.00 H new ATOM 0 HG22 THR A 66 13.931 10.303 0.617 1.00 10.00 H new ATOM 0 HG23 THR A 66 15.642 10.084 1.054 1.00 10.00 H new ATOM 935 N PRO A 67 16.853 12.909 3.412 1.00 10.00 N ATOM 936 CA PRO A 67 18.305 13.006 3.388 1.00 10.00 C ATOM 937 C PRO A 67 18.928 11.598 3.414 1.00 10.00 C ATOM 938 O PRO A 67 19.779 11.311 4.249 1.00 10.00 O ATOM 939 CB PRO A 67 18.649 13.836 4.630 1.00 10.00 C ATOM 940 CG PRO A 67 17.579 13.397 5.629 1.00 10.00 C ATOM 941 CD PRO A 67 16.344 13.201 4.746 1.00 10.00 C ATOM 0 HA PRO A 67 18.699 13.476 2.487 1.00 10.00 H new ATOM 0 HB2 PRO A 67 19.655 13.624 4.994 1.00 10.00 H new ATOM 0 HB3 PRO A 67 18.601 14.906 4.429 1.00 10.00 H new ATOM 0 HG2 PRO A 67 17.859 12.477 6.142 1.00 10.00 H new ATOM 0 HG3 PRO A 67 17.410 14.151 6.397 1.00 10.00 H new ATOM 0 HD2 PRO A 67 15.724 12.384 5.116 1.00 10.00 H new ATOM 0 HD3 PRO A 67 15.721 14.096 4.740 1.00 10.00 H new ATOM 949 N LEU A 68 18.509 10.720 2.492 1.00 10.00 N ATOM 950 CA LEU A 68 18.938 9.321 2.425 1.00 10.00 C ATOM 951 C LEU A 68 19.417 8.999 1.007 1.00 10.00 C ATOM 952 O LEU A 68 20.588 8.675 0.790 1.00 10.00 O ATOM 953 CB LEU A 68 17.765 8.427 2.861 1.00 10.00 C ATOM 954 CG LEU A 68 18.040 6.917 2.796 1.00 10.00 C ATOM 955 CD1 LEU A 68 19.156 6.505 3.757 1.00 10.00 C ATOM 956 CD2 LEU A 68 16.757 6.175 3.185 1.00 10.00 C ATOM 0 H LEU A 68 17.848 10.971 1.757 1.00 10.00 H new ATOM 0 HA LEU A 68 19.775 9.137 3.098 1.00 10.00 H new ATOM 0 HB2 LEU A 68 17.490 8.687 3.883 1.00 10.00 H new ATOM 0 HB3 LEU A 68 16.903 8.652 2.232 1.00 10.00 H new ATOM 0 HG LEU A 68 18.354 6.666 1.783 1.00 10.00 H new ATOM 0 HD11 LEU A 68 19.322 5.430 3.683 1.00 10.00 H new ATOM 0 HD12 LEU A 68 20.074 7.033 3.497 1.00 10.00 H new ATOM 0 HD13 LEU A 68 18.869 6.758 4.778 1.00 10.00 H new ATOM 0 HD21 LEU A 68 16.932 5.100 3.145 1.00 10.00 H new ATOM 0 HD22 LEU A 68 16.466 6.458 4.197 1.00 10.00 H new ATOM 0 HD23 LEU A 68 15.959 6.439 2.491 1.00 10.00 H new ATOM 968 N ALA A 69 18.500 9.134 0.043 1.00 10.00 N ATOM 969 CA ALA A 69 18.730 8.932 -1.379 1.00 10.00 C ATOM 970 C ALA A 69 18.445 10.232 -2.135 1.00 10.00 C ATOM 971 O ALA A 69 17.830 11.151 -1.594 1.00 10.00 O ATOM 972 CB ALA A 69 17.825 7.809 -1.875 1.00 10.00 C ATOM 0 H ALA A 69 17.537 9.399 0.249 1.00 10.00 H new ATOM 0 HA ALA A 69 19.769 8.653 -1.555 1.00 10.00 H new ATOM 0 HB1 ALA A 69 17.991 7.651 -2.941 1.00 10.00 H new ATOM 0 HB2 ALA A 69 18.053 6.892 -1.332 1.00 10.00 H new ATOM 0 HB3 ALA A 69 16.783 8.080 -1.707 1.00 10.00 H new ATOM 978 N THR A 70 18.938 10.337 -3.367 1.00 10.00 N ATOM 979 CA THR A 70 18.823 11.539 -4.181 1.00 10.00 C ATOM 980 C THR A 70 17.518 11.527 -4.978 1.00 10.00 C ATOM 981 O THR A 70 16.862 12.558 -5.105 1.00 10.00 O ATOM 982 CB THR A 70 20.049 11.648 -5.104 1.00 10.00 C ATOM 983 OG1 THR A 70 21.233 11.540 -4.339 1.00 10.00 O ATOM 984 CG2 THR A 70 20.094 12.992 -5.837 1.00 10.00 C ATOM 0 H THR A 70 19.435 9.577 -3.832 1.00 10.00 H new ATOM 0 HA THR A 70 18.797 12.416 -3.534 1.00 10.00 H new ATOM 0 HB THR A 70 19.972 10.843 -5.834 1.00 10.00 H new ATOM 0 HG1 THR A 70 21.350 10.612 -4.047 1.00 10.00 H new ATOM 0 HG21 THR A 70 20.975 13.028 -6.478 1.00 10.00 H new ATOM 0 HG22 THR A 70 19.197 13.104 -6.446 1.00 10.00 H new ATOM 0 HG23 THR A 70 20.142 13.802 -5.109 1.00 10.00 H new ATOM 992 N SER A 71 17.172 10.372 -5.549 1.00 10.00 N ATOM 993 CA SER A 71 16.178 10.235 -6.600 1.00 10.00 C ATOM 994 C SER A 71 15.082 9.247 -6.168 1.00 10.00 C ATOM 995 O SER A 71 15.212 8.048 -6.411 1.00 10.00 O ATOM 996 CB SER A 71 16.906 9.778 -7.875 1.00 10.00 C ATOM 997 OG SER A 71 16.131 10.079 -9.021 1.00 10.00 O ATOM 0 H SER A 71 17.592 9.482 -5.280 1.00 10.00 H new ATOM 0 HA SER A 71 15.679 11.184 -6.797 1.00 10.00 H new ATOM 0 HB2 SER A 71 17.876 10.271 -7.944 1.00 10.00 H new ATOM 0 HB3 SER A 71 17.096 8.706 -7.828 1.00 10.00 H new ATOM 0 HG SER A 71 16.725 10.246 -9.783 1.00 10.00 H new ATOM 1003 N PRO A 72 14.003 9.716 -5.518 1.00 10.00 N ATOM 1004 CA PRO A 72 12.855 8.884 -5.189 1.00 10.00 C ATOM 1005 C PRO A 72 12.002 8.660 -6.434 1.00 10.00 C ATOM 1006 O PRO A 72 11.020 9.358 -6.678 1.00 10.00 O ATOM 1007 CB PRO A 72 12.113 9.645 -4.086 1.00 10.00 C ATOM 1008 CG PRO A 72 12.418 11.109 -4.405 1.00 10.00 C ATOM 1009 CD PRO A 72 13.831 11.062 -4.991 1.00 10.00 C ATOM 0 HA PRO A 72 13.130 7.888 -4.841 1.00 10.00 H new ATOM 0 HB2 PRO A 72 11.042 9.443 -4.108 1.00 10.00 H new ATOM 0 HB3 PRO A 72 12.470 9.366 -3.095 1.00 10.00 H new ATOM 0 HG2 PRO A 72 11.702 11.522 -5.116 1.00 10.00 H new ATOM 0 HG3 PRO A 72 12.375 11.732 -3.511 1.00 10.00 H new ATOM 0 HD2 PRO A 72 13.952 11.807 -5.777 1.00 10.00 H new ATOM 0 HD3 PRO A 72 14.577 11.280 -4.227 1.00 10.00 H new ATOM 1017 N MET A 73 12.382 7.654 -7.215 1.00 10.00 N ATOM 1018 CA MET A 73 11.686 7.252 -8.418 1.00 10.00 C ATOM 1019 C MET A 73 10.534 6.327 -8.029 1.00 10.00 C ATOM 1020 O MET A 73 10.753 5.237 -7.509 1.00 10.00 O ATOM 1021 CB MET A 73 12.669 6.485 -9.294 1.00 10.00 C ATOM 1022 CG MET A 73 13.820 7.337 -9.835 1.00 10.00 C ATOM 1023 SD MET A 73 14.906 6.415 -10.951 1.00 10.00 S ATOM 1024 CE MET A 73 16.119 7.686 -11.359 1.00 10.00 C ATOM 0 H MET A 73 13.205 7.085 -7.018 1.00 10.00 H new ATOM 0 HA MET A 73 11.298 8.119 -8.952 1.00 10.00 H new ATOM 0 HB2 MET A 73 13.083 5.657 -8.718 1.00 10.00 H new ATOM 0 HB3 MET A 73 12.128 6.049 -10.134 1.00 10.00 H new ATOM 0 HG2 MET A 73 13.412 8.199 -10.362 1.00 10.00 H new ATOM 0 HG3 MET A 73 14.406 7.722 -9.000 1.00 10.00 H new ATOM 0 HE1 MET A 73 16.851 7.279 -12.056 1.00 10.00 H new ATOM 0 HE2 MET A 73 15.615 8.537 -11.817 1.00 10.00 H new ATOM 0 HE3 MET A 73 16.625 8.011 -10.450 1.00 10.00 H new ATOM 1034 N LEU A 74 9.299 6.725 -8.310 1.00 10.00 N ATOM 1035 CA LEU A 74 8.138 5.924 -7.947 1.00 10.00 C ATOM 1036 C LEU A 74 7.947 4.803 -8.973 1.00 10.00 C ATOM 1037 O LEU A 74 7.931 5.042 -10.184 1.00 10.00 O ATOM 1038 CB LEU A 74 6.903 6.826 -7.897 1.00 10.00 C ATOM 1039 CG LEU A 74 6.946 7.746 -6.662 1.00 10.00 C ATOM 1040 CD1 LEU A 74 6.461 9.153 -7.013 1.00 10.00 C ATOM 1041 CD2 LEU A 74 6.072 7.159 -5.550 1.00 10.00 C ATOM 0 H LEU A 74 9.076 7.598 -8.788 1.00 10.00 H new ATOM 0 HA LEU A 74 8.287 5.473 -6.966 1.00 10.00 H new ATOM 0 HB2 LEU A 74 6.851 7.429 -8.803 1.00 10.00 H new ATOM 0 HB3 LEU A 74 6.001 6.214 -7.869 1.00 10.00 H new ATOM 0 HG LEU A 74 7.978 7.814 -6.318 1.00 10.00 H new ATOM 0 HD11 LEU A 74 6.501 9.784 -6.125 1.00 10.00 H new ATOM 0 HD12 LEU A 74 7.101 9.576 -7.787 1.00 10.00 H new ATOM 0 HD13 LEU A 74 5.435 9.104 -7.377 1.00 10.00 H new ATOM 0 HD21 LEU A 74 6.105 7.812 -4.678 1.00 10.00 H new ATOM 0 HD22 LEU A 74 5.044 7.075 -5.902 1.00 10.00 H new ATOM 0 HD23 LEU A 74 6.444 6.171 -5.278 1.00 10.00 H new ATOM 1053 N MET A 75 7.822 3.572 -8.469 1.00 10.00 N ATOM 1054 CA MET A 75 7.737 2.355 -9.258 1.00 10.00 C ATOM 1055 C MET A 75 6.346 1.750 -9.168 1.00 10.00 C ATOM 1056 O MET A 75 5.747 1.730 -8.093 1.00 10.00 O ATOM 1057 CB MET A 75 8.704 1.289 -8.731 1.00 10.00 C ATOM 1058 CG MET A 75 9.084 0.312 -9.851 1.00 10.00 C ATOM 1059 SD MET A 75 10.752 0.407 -10.552 1.00 10.00 S ATOM 1060 CE MET A 75 11.079 2.184 -10.570 1.00 10.00 C ATOM 0 H MET A 75 7.776 3.397 -7.465 1.00 10.00 H new ATOM 0 HA MET A 75 7.982 2.632 -10.283 1.00 10.00 H new ATOM 0 HB2 MET A 75 9.601 1.766 -8.336 1.00 10.00 H new ATOM 0 HB3 MET A 75 8.242 0.746 -7.907 1.00 10.00 H new ATOM 0 HG2 MET A 75 8.941 -0.700 -9.471 1.00 10.00 H new ATOM 0 HG3 MET A 75 8.374 0.450 -10.666 1.00 10.00 H new ATOM 0 HE1 MET A 75 11.937 2.390 -11.210 1.00 10.00 H new ATOM 0 HE2 MET A 75 10.206 2.711 -10.954 1.00 10.00 H new ATOM 0 HE3 MET A 75 11.292 2.525 -9.557 1.00 10.00 H new ATOM 1070 N THR A 76 5.896 1.162 -10.273 1.00 10.00 N ATOM 1071 CA THR A 76 4.767 0.258 -10.284 1.00 10.00 C ATOM 1072 C THR A 76 5.177 -1.175 -9.938 1.00 10.00 C ATOM 1073 O THR A 76 6.362 -1.511 -9.888 1.00 10.00 O ATOM 1074 CB THR A 76 4.162 0.249 -11.688 1.00 10.00 C ATOM 1075 OG1 THR A 76 4.632 1.328 -12.459 1.00 10.00 O ATOM 1076 CG2 THR A 76 2.653 0.351 -11.577 1.00 10.00 C ATOM 0 H THR A 76 6.315 1.306 -11.192 1.00 10.00 H new ATOM 0 HA THR A 76 4.054 0.605 -9.536 1.00 10.00 H new ATOM 0 HB THR A 76 4.455 -0.679 -12.178 1.00 10.00 H new ATOM 0 HG1 THR A 76 4.216 1.302 -13.346 1.00 10.00 H new ATOM 0 HG21 THR A 76 2.214 0.345 -12.574 1.00 10.00 H new ATOM 0 HG22 THR A 76 2.272 -0.497 -11.008 1.00 10.00 H new ATOM 0 HG23 THR A 76 2.387 1.278 -11.069 1.00 10.00 H new ATOM 1084 N THR A 77 4.173 -2.024 -9.726 1.00 10.00 N ATOM 1085 CA THR A 77 4.261 -3.481 -9.699 1.00 10.00 C ATOM 1086 C THR A 77 3.844 -4.139 -11.006 1.00 10.00 C ATOM 1087 O THR A 77 3.375 -3.495 -11.946 1.00 10.00 O ATOM 1088 CB THR A 77 3.435 -4.074 -8.540 1.00 10.00 C ATOM 1089 OG1 THR A 77 3.776 -5.425 -8.303 1.00 10.00 O ATOM 1090 CG2 THR A 77 1.944 -3.969 -8.803 1.00 10.00 C ATOM 0 H THR A 77 3.223 -1.694 -9.559 1.00 10.00 H new ATOM 0 HA THR A 77 5.318 -3.701 -9.546 1.00 10.00 H new ATOM 0 HB THR A 77 3.675 -3.487 -7.654 1.00 10.00 H new ATOM 0 HG1 THR A 77 3.237 -5.773 -7.562 1.00 10.00 H new ATOM 0 HG21 THR A 77 1.396 -4.397 -7.964 1.00 10.00 H new ATOM 0 HG22 THR A 77 1.668 -2.921 -8.920 1.00 10.00 H new ATOM 0 HG23 THR A 77 1.696 -4.513 -9.714 1.00 10.00 H new ATOM 1098 N THR A 78 3.975 -5.466 -11.002 1.00 10.00 N ATOM 1099 CA THR A 78 3.542 -6.367 -12.047 1.00 10.00 C ATOM 1100 C THR A 78 2.150 -6.905 -11.696 1.00 10.00 C ATOM 1101 O THR A 78 2.004 -8.067 -11.331 1.00 10.00 O ATOM 1102 CB THR A 78 4.606 -7.458 -12.250 1.00 10.00 C ATOM 1103 OG1 THR A 78 5.873 -6.837 -12.383 1.00 10.00 O ATOM 1104 CG2 THR A 78 4.346 -8.269 -13.523 1.00 10.00 C ATOM 0 H THR A 78 4.411 -5.959 -10.223 1.00 10.00 H new ATOM 0 HA THR A 78 3.444 -5.856 -13.005 1.00 10.00 H new ATOM 0 HB THR A 78 4.571 -8.128 -11.391 1.00 10.00 H new ATOM 0 HG1 THR A 78 6.561 -7.523 -12.511 1.00 10.00 H new ATOM 0 HG21 THR A 78 5.118 -9.030 -13.633 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.370 -8.749 -13.455 1.00 10.00 H new ATOM 0 HG23 THR A 78 4.365 -7.605 -14.387 1.00 10.00 H new ATOM 1112 N HIS A 79 1.134 -6.041 -11.804 1.00 10.00 N ATOM 1113 CA HIS A 79 -0.276 -6.365 -11.589 1.00 10.00 C ATOM 1114 C HIS A 79 -0.541 -6.993 -10.219 1.00 10.00 C ATOM 1115 O HIS A 79 -0.828 -8.181 -10.104 1.00 10.00 O ATOM 1116 CB HIS A 79 -0.828 -7.204 -12.751 1.00 10.00 C ATOM 1117 CG HIS A 79 -2.328 -7.364 -12.713 1.00 10.00 C ATOM 1118 ND1 HIS A 79 -3.012 -8.571 -12.862 1.00 10.00 N ATOM 1119 CD2 HIS A 79 -3.232 -6.349 -12.566 1.00 10.00 C ATOM 1120 CE1 HIS A 79 -4.313 -8.259 -12.782 1.00 10.00 C ATOM 1121 NE2 HIS A 79 -4.476 -6.935 -12.607 1.00 10.00 N ATOM 0 H HIS A 79 1.279 -5.062 -12.053 1.00 10.00 H new ATOM 0 HA HIS A 79 -0.828 -5.425 -11.578 1.00 10.00 H new ATOM 0 HB2 HIS A 79 -0.543 -6.737 -13.694 1.00 10.00 H new ATOM 0 HB3 HIS A 79 -0.364 -8.190 -12.730 1.00 10.00 H new ATOM 0 HD2 HIS A 79 -3.014 -5.299 -12.443 1.00 10.00 H new ATOM 0 HE1 HIS A 79 -5.120 -8.973 -12.849 1.00 10.00 H new ATOM 0 HE2 HIS A 79 -5.369 -6.449 -12.520 1.00 10.00 H new ATOM 1129 N SER A 80 -0.475 -6.171 -9.168 1.00 10.00 N ATOM 1130 CA SER A 80 -0.725 -6.591 -7.792 1.00 10.00 C ATOM 1131 C SER A 80 -0.944 -5.342 -6.934 1.00 10.00 C ATOM 1132 O SER A 80 -0.249 -5.111 -5.948 1.00 10.00 O ATOM 1133 CB SER A 80 0.435 -7.467 -7.286 1.00 10.00 C ATOM 1134 OG SER A 80 0.051 -8.161 -6.114 1.00 10.00 O ATOM 0 H SER A 80 -0.243 -5.181 -9.253 1.00 10.00 H new ATOM 0 HA SER A 80 -1.624 -7.205 -7.731 1.00 10.00 H new ATOM 0 HB2 SER A 80 0.727 -8.178 -8.059 1.00 10.00 H new ATOM 0 HB3 SER A 80 1.306 -6.845 -7.080 1.00 10.00 H new ATOM 0 HG SER A 80 0.797 -8.716 -5.803 1.00 10.00 H new ATOM 1140 N GLY A 81 -1.889 -4.504 -7.365 1.00 10.00 N ATOM 1141 CA GLY A 81 -2.079 -3.153 -6.863 1.00 10.00 C ATOM 1142 C GLY A 81 -1.865 -2.208 -8.037 1.00 10.00 C ATOM 1143 O GLY A 81 -2.806 -1.927 -8.777 1.00 10.00 O ATOM 0 H GLY A 81 -2.558 -4.759 -8.092 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -3.080 -3.033 -6.449 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -1.374 -2.937 -6.060 1.00 10.00 H new ATOM 1147 N GLY A 82 -0.626 -1.764 -8.244 1.00 10.00 N ATOM 1148 CA GLY A 82 -0.248 -1.035 -9.446 1.00 10.00 C ATOM 1149 C GLY A 82 -0.346 -1.894 -10.716 1.00 10.00 C ATOM 1150 O GLY A 82 -0.612 -3.095 -10.659 1.00 10.00 O ATOM 0 H GLY A 82 0.139 -1.901 -7.583 1.00 10.00 H new ATOM 0 HA2 GLY A 82 -0.890 -0.161 -9.553 1.00 10.00 H new ATOM 0 HA3 GLY A 82 0.773 -0.669 -9.338 1.00 10.00 H new ATOM 1154 N MET A 83 -0.133 -1.234 -11.863 1.00 10.00 N ATOM 1155 CA MET A 83 -0.573 -1.638 -13.196 1.00 10.00 C ATOM 1156 C MET A 83 -0.163 -3.053 -13.628 1.00 10.00 C ATOM 1157 O MET A 83 -0.974 -3.968 -13.533 1.00 10.00 O ATOM 1158 CB MET A 83 -0.140 -0.593 -14.239 1.00 10.00 C ATOM 1159 CG MET A 83 -0.779 0.786 -14.012 1.00 10.00 C ATOM 1160 SD MET A 83 -0.175 2.113 -15.090 1.00 10.00 S ATOM 1161 CE MET A 83 -0.661 1.494 -16.716 1.00 10.00 C ATOM 0 H MET A 83 0.381 -0.353 -11.881 1.00 10.00 H new ATOM 0 HA MET A 83 -1.660 -1.682 -13.136 1.00 10.00 H new ATOM 0 HB2 MET A 83 0.945 -0.492 -14.215 1.00 10.00 H new ATOM 0 HB3 MET A 83 -0.405 -0.950 -15.234 1.00 10.00 H new ATOM 0 HG2 MET A 83 -1.857 0.694 -14.147 1.00 10.00 H new ATOM 0 HG3 MET A 83 -0.611 1.079 -12.976 1.00 10.00 H new ATOM 0 HE1 MET A 83 -0.485 2.265 -17.466 1.00 10.00 H new ATOM 0 HE2 MET A 83 -0.073 0.609 -16.959 1.00 10.00 H new ATOM 0 HE3 MET A 83 -1.719 1.234 -16.705 1.00 10.00 H new ATOM 1171 N ALA A 84 1.028 -3.225 -14.222 1.00 10.00 N ATOM 1172 CA ALA A 84 1.332 -4.405 -15.031 1.00 10.00 C ATOM 1173 C ALA A 84 2.793 -4.421 -15.493 1.00 10.00 C ATOM 1174 O ALA A 84 3.091 -4.900 -16.584 1.00 10.00 O ATOM 1175 CB ALA A 84 0.392 -4.468 -16.248 1.00 10.00 C ATOM 0 H ALA A 84 1.796 -2.557 -14.154 1.00 10.00 H new ATOM 0 HA ALA A 84 1.175 -5.283 -14.404 1.00 10.00 H new ATOM 0 HB1 ALA A 84 0.627 -5.350 -16.844 1.00 10.00 H new ATOM 0 HB2 ALA A 84 -0.642 -4.525 -15.907 1.00 10.00 H new ATOM 0 HB3 ALA A 84 0.524 -3.573 -16.857 1.00 10.00 H new ATOM 1181 N GLY A 85 3.716 -3.929 -14.667 1.00 10.00 N ATOM 1182 CA GLY A 85 5.135 -4.127 -14.903 1.00 10.00 C ATOM 1183 C GLY A 85 5.965 -3.226 -13.999 1.00 10.00 C ATOM 1184 O GLY A 85 5.605 -2.068 -13.791 1.00 10.00 O ATOM 0 H GLY A 85 3.500 -3.390 -13.828 1.00 10.00 H new ATOM 0 HA2 GLY A 85 5.396 -5.170 -14.723 1.00 10.00 H new ATOM 0 HA3 GLY A 85 5.367 -3.916 -15.947 1.00 10.00 H new ATOM 1188 N MET A 86 7.081 -3.736 -13.467 1.00 10.00 N ATOM 1189 CA MET A 86 7.980 -2.930 -12.657 1.00 10.00 C ATOM 1190 C MET A 86 8.616 -1.832 -13.513 1.00 10.00 C ATOM 1191 O MET A 86 9.655 -2.043 -14.137 1.00 10.00 O ATOM 1192 CB MET A 86 9.052 -3.787 -11.973 1.00 10.00 C ATOM 1193 CG MET A 86 9.719 -2.928 -10.890 1.00 10.00 C ATOM 1194 SD MET A 86 11.407 -3.283 -10.312 1.00 10.00 S ATOM 1195 CE MET A 86 12.342 -2.954 -11.824 1.00 10.00 C ATOM 0 H MET A 86 7.377 -4.705 -13.587 1.00 10.00 H new ATOM 0 HA MET A 86 7.394 -2.463 -11.866 1.00 10.00 H new ATOM 0 HB2 MET A 86 8.605 -4.678 -11.532 1.00 10.00 H new ATOM 0 HB3 MET A 86 9.790 -4.127 -12.699 1.00 10.00 H new ATOM 0 HG2 MET A 86 9.716 -1.900 -11.253 1.00 10.00 H new ATOM 0 HG3 MET A 86 9.070 -2.959 -10.015 1.00 10.00 H new ATOM 0 HE1 MET A 86 13.410 -3.004 -11.610 1.00 10.00 H new ATOM 0 HE2 MET A 86 12.088 -3.699 -12.578 1.00 10.00 H new ATOM 0 HE3 MET A 86 12.093 -1.960 -12.197 1.00 10.00 H new ATOM 1205 N LYS A 87 8.000 -0.654 -13.513 1.00 10.00 N ATOM 1206 CA LYS A 87 8.430 0.476 -14.324 1.00 10.00 C ATOM 1207 C LYS A 87 8.298 1.817 -13.581 1.00 10.00 C ATOM 1208 O LYS A 87 7.567 1.917 -12.596 1.00 10.00 O ATOM 1209 CB LYS A 87 7.690 0.424 -15.671 1.00 10.00 C ATOM 1210 CG LYS A 87 6.193 0.796 -15.600 1.00 10.00 C ATOM 1211 CD LYS A 87 5.810 1.848 -16.655 1.00 10.00 C ATOM 1212 CE LYS A 87 6.587 3.129 -16.334 1.00 10.00 C ATOM 1213 NZ LYS A 87 6.065 4.363 -16.942 1.00 10.00 N ATOM 0 H LYS A 87 7.178 -0.457 -12.942 1.00 10.00 H new ATOM 0 HA LYS A 87 9.498 0.400 -14.527 1.00 10.00 H new ATOM 0 HB2 LYS A 87 8.185 1.099 -16.368 1.00 10.00 H new ATOM 0 HB3 LYS A 87 7.781 -0.582 -16.082 1.00 10.00 H new ATOM 0 HG2 LYS A 87 5.590 -0.100 -15.746 1.00 10.00 H new ATOM 0 HG3 LYS A 87 5.961 1.178 -14.606 1.00 10.00 H new ATOM 0 HD2 LYS A 87 6.054 1.493 -17.656 1.00 10.00 H new ATOM 0 HD3 LYS A 87 4.737 2.036 -16.636 1.00 10.00 H new ATOM 0 HE2 LYS A 87 6.605 3.259 -15.252 1.00 10.00 H new ATOM 0 HE3 LYS A 87 7.620 2.996 -16.657 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 6.464 5.188 -16.451 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 6.333 4.395 -17.946 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 5.028 4.379 -16.859 1.00 10.00 H new ATOM 1227 N MET A 88 9.008 2.843 -14.072 1.00 10.00 N ATOM 1228 CA MET A 88 9.099 4.184 -13.492 1.00 10.00 C ATOM 1229 C MET A 88 7.895 5.026 -13.923 1.00 10.00 C ATOM 1230 O MET A 88 7.757 5.358 -15.107 1.00 10.00 O ATOM 1231 CB MET A 88 10.395 4.847 -13.983 1.00 10.00 C ATOM 1232 CG MET A 88 11.650 4.203 -13.382 1.00 10.00 C ATOM 1233 SD MET A 88 13.209 4.614 -14.210 1.00 10.00 S ATOM 1234 CE MET A 88 13.148 6.419 -14.180 1.00 10.00 C ATOM 0 H MET A 88 9.560 2.752 -14.925 1.00 10.00 H new ATOM 0 HA MET A 88 9.104 4.113 -12.404 1.00 10.00 H new ATOM 0 HB2 MET A 88 10.443 4.782 -15.070 1.00 10.00 H new ATOM 0 HB3 MET A 88 10.377 5.906 -13.727 1.00 10.00 H new ATOM 0 HG2 MET A 88 11.725 4.500 -12.336 1.00 10.00 H new ATOM 0 HG3 MET A 88 11.525 3.120 -13.397 1.00 10.00 H new ATOM 0 HE1 MET A 88 14.101 6.821 -14.524 1.00 10.00 H new ATOM 0 HE2 MET A 88 12.349 6.767 -14.835 1.00 10.00 H new ATOM 0 HE3 MET A 88 12.957 6.760 -13.162 1.00 10.00 H new ATOM 1244 N VAL A 89 6.986 5.319 -12.993 1.00 10.00 N ATOM 1245 CA VAL A 89 5.697 5.939 -13.295 1.00 10.00 C ATOM 1246 C VAL A 89 5.651 7.395 -12.827 1.00 10.00 C ATOM 1247 O VAL A 89 6.489 7.797 -12.023 1.00 10.00 O ATOM 1248 CB VAL A 89 4.544 5.127 -12.664 1.00 10.00 C ATOM 1249 CG1 VAL A 89 4.090 4.017 -13.613 1.00 10.00 C ATOM 1250 CG2 VAL A 89 4.892 4.555 -11.282 1.00 10.00 C ATOM 0 H VAL A 89 7.125 5.131 -12.000 1.00 10.00 H new ATOM 0 HA VAL A 89 5.573 5.937 -14.378 1.00 10.00 H new ATOM 0 HB VAL A 89 3.721 5.824 -12.507 1.00 10.00 H new ATOM 0 HG11 VAL A 89 3.277 3.455 -13.153 1.00 10.00 H new ATOM 0 HG12 VAL A 89 3.743 4.457 -14.548 1.00 10.00 H new ATOM 0 HG13 VAL A 89 4.926 3.347 -13.815 1.00 10.00 H new ATOM 0 HG21 VAL A 89 4.040 3.996 -10.895 1.00 10.00 H new ATOM 0 HG22 VAL A 89 5.752 3.891 -11.369 1.00 10.00 H new ATOM 0 HG23 VAL A 89 5.131 5.371 -10.600 1.00 10.00 H new ATOM 1260 N PRO A 90 4.641 8.165 -13.283 1.00 10.00 N ATOM 1261 CA PRO A 90 4.167 9.356 -12.588 1.00 10.00 C ATOM 1262 C PRO A 90 4.186 9.151 -11.072 1.00 10.00 C ATOM 1263 O PRO A 90 4.774 9.951 -10.350 1.00 10.00 O ATOM 1264 CB PRO A 90 2.760 9.637 -13.139 1.00 10.00 C ATOM 1265 CG PRO A 90 2.370 8.388 -13.922 1.00 10.00 C ATOM 1266 CD PRO A 90 3.717 7.839 -14.364 1.00 10.00 C ATOM 0 HA PRO A 90 4.814 10.216 -12.762 1.00 10.00 H new ATOM 0 HB2 PRO A 90 2.054 9.830 -12.331 1.00 10.00 H new ATOM 0 HB3 PRO A 90 2.759 10.518 -13.781 1.00 10.00 H new ATOM 0 HG2 PRO A 90 1.825 7.675 -13.303 1.00 10.00 H new ATOM 0 HG3 PRO A 90 1.731 8.626 -14.772 1.00 10.00 H new ATOM 0 HD2 PRO A 90 3.668 6.763 -14.528 1.00 10.00 H new ATOM 0 HD3 PRO A 90 4.036 8.290 -15.303 1.00 10.00 H new ATOM 1274 N TRP A 91 3.552 8.070 -10.613 1.00 10.00 N ATOM 1275 CA TRP A 91 3.379 7.681 -9.226 1.00 10.00 C ATOM 1276 C TRP A 91 2.481 6.445 -9.255 1.00 10.00 C ATOM 1277 O TRP A 91 2.174 5.950 -10.341 1.00 10.00 O ATOM 1278 CB TRP A 91 2.776 8.815 -8.380 1.00 10.00 C ATOM 1279 CG TRP A 91 1.412 9.268 -8.765 1.00 10.00 C ATOM 1280 CD1 TRP A 91 0.264 8.710 -8.333 1.00 10.00 C ATOM 1281 CD2 TRP A 91 1.022 10.336 -9.671 1.00 10.00 C ATOM 1282 NE1 TRP A 91 -0.786 9.228 -9.048 1.00 10.00 N ATOM 1283 CE2 TRP A 91 -0.377 10.237 -9.891 1.00 10.00 C ATOM 1284 CE3 TRP A 91 1.707 11.348 -10.371 1.00 10.00 C ATOM 1285 CZ2 TRP A 91 -1.039 11.044 -10.820 1.00 10.00 C ATOM 1286 CZ3 TRP A 91 1.038 12.217 -11.252 1.00 10.00 C ATOM 1287 CH2 TRP A 91 -0.334 12.049 -11.499 1.00 10.00 C ATOM 0 H TRP A 91 3.119 7.402 -11.251 1.00 10.00 H new ATOM 0 HA TRP A 91 4.336 7.462 -8.753 1.00 10.00 H new ATOM 0 HB2 TRP A 91 2.748 8.489 -7.340 1.00 10.00 H new ATOM 0 HB3 TRP A 91 3.448 9.672 -8.427 1.00 10.00 H new ATOM 0 HD1 TRP A 91 0.183 7.972 -7.548 1.00 10.00 H new ATOM 0 HE1 TRP A 91 -1.750 8.906 -8.965 1.00 10.00 H new ATOM 0 HE3 TRP A 91 2.772 11.460 -10.228 1.00 10.00 H new ATOM 0 HZ2 TRP A 91 -2.091 10.894 -11.015 1.00 10.00 H new ATOM 0 HZ3 TRP A 91 1.580 13.014 -11.739 1.00 10.00 H new ATOM 0 HH2 TRP A 91 -0.842 12.688 -12.206 1.00 10.00 H new ATOM 1298 N LEU A 92 2.033 5.975 -8.089 1.00 10.00 N ATOM 1299 CA LEU A 92 1.084 4.872 -7.981 1.00 10.00 C ATOM 1300 C LEU A 92 -0.228 5.351 -7.350 1.00 10.00 C ATOM 1301 O LEU A 92 -0.324 5.548 -6.141 1.00 10.00 O ATOM 1302 CB LEU A 92 1.718 3.624 -7.335 1.00 10.00 C ATOM 1303 CG LEU A 92 2.057 3.638 -5.832 1.00 10.00 C ATOM 1304 CD1 LEU A 92 2.706 2.293 -5.478 1.00 10.00 C ATOM 1305 CD2 LEU A 92 3.014 4.767 -5.435 1.00 10.00 C ATOM 0 H LEU A 92 2.323 6.354 -7.188 1.00 10.00 H new ATOM 0 HA LEU A 92 0.813 4.530 -8.980 1.00 10.00 H new ATOM 0 HB2 LEU A 92 1.042 2.787 -7.510 1.00 10.00 H new ATOM 0 HB3 LEU A 92 2.639 3.408 -7.876 1.00 10.00 H new ATOM 0 HG LEU A 92 1.128 3.805 -5.287 1.00 10.00 H new ATOM 0 HD11 LEU A 92 2.956 2.278 -4.417 1.00 10.00 H new ATOM 0 HD12 LEU A 92 2.010 1.484 -5.699 1.00 10.00 H new ATOM 0 HD13 LEU A 92 3.614 2.161 -6.067 1.00 10.00 H new ATOM 0 HD21 LEU A 92 3.210 4.718 -4.364 1.00 10.00 H new ATOM 0 HD22 LEU A 92 3.951 4.658 -5.981 1.00 10.00 H new ATOM 0 HD23 LEU A 92 2.562 5.729 -5.678 1.00 10.00 H new ATOM 1317 N THR A 93 -1.251 5.557 -8.185 1.00 10.00 N ATOM 1318 CA THR A 93 -2.584 5.930 -7.730 1.00 10.00 C ATOM 1319 C THR A 93 -3.255 4.674 -7.177 1.00 10.00 C ATOM 1320 O THR A 93 -3.442 3.716 -7.924 1.00 10.00 O ATOM 1321 CB THR A 93 -3.412 6.413 -8.937 1.00 10.00 C ATOM 1322 OG1 THR A 93 -2.760 7.472 -9.600 1.00 10.00 O ATOM 1323 CG2 THR A 93 -4.826 6.875 -8.564 1.00 10.00 C ATOM 0 H THR A 93 -1.172 5.468 -9.198 1.00 10.00 H new ATOM 0 HA THR A 93 -2.521 6.715 -6.977 1.00 10.00 H new ATOM 0 HB THR A 93 -3.503 5.545 -9.590 1.00 10.00 H new ATOM 0 HG1 THR A 93 -3.301 7.763 -10.363 1.00 10.00 H new ATOM 0 HG21 THR A 93 -5.351 7.201 -9.462 1.00 10.00 H new ATOM 0 HG22 THR A 93 -5.370 6.049 -8.106 1.00 10.00 H new ATOM 0 HG23 THR A 93 -4.764 7.704 -7.859 1.00 10.00 H new ATOM 1331 N ILE A 94 -3.658 4.679 -5.902 1.00 10.00 N ATOM 1332 CA ILE A 94 -4.541 3.642 -5.387 1.00 10.00 C ATOM 1333 C ILE A 94 -5.978 4.150 -5.539 1.00 10.00 C ATOM 1334 O ILE A 94 -6.330 5.168 -4.936 1.00 10.00 O ATOM 1335 CB ILE A 94 -4.168 3.228 -3.955 1.00 10.00 C ATOM 1336 CG1 ILE A 94 -4.112 4.392 -2.960 1.00 10.00 C ATOM 1337 CG2 ILE A 94 -2.812 2.516 -4.011 1.00 10.00 C ATOM 1338 CD1 ILE A 94 -3.738 3.933 -1.552 1.00 10.00 C ATOM 0 H ILE A 94 -3.387 5.385 -5.218 1.00 10.00 H new ATOM 0 HA ILE A 94 -4.435 2.719 -5.958 1.00 10.00 H new ATOM 0 HB ILE A 94 -4.956 2.572 -3.584 1.00 10.00 H new ATOM 0 HG12 ILE A 94 -3.385 5.127 -3.305 1.00 10.00 H new ATOM 0 HG13 ILE A 94 -5.081 4.890 -2.932 1.00 10.00 H new ATOM 0 HG21 ILE A 94 -2.520 2.210 -3.006 1.00 10.00 H new ATOM 0 HG22 ILE A 94 -2.889 1.637 -4.651 1.00 10.00 H new ATOM 0 HG23 ILE A 94 -2.061 3.195 -4.416 1.00 10.00 H new ATOM 0 HD11 ILE A 94 -3.711 4.794 -0.884 1.00 10.00 H new ATOM 0 HD12 ILE A 94 -4.479 3.218 -1.194 1.00 10.00 H new ATOM 0 HD13 ILE A 94 -2.757 3.459 -1.572 1.00 10.00 H new ATOM 1350 N PRO A 95 -6.814 3.504 -6.367 1.00 10.00 N ATOM 1351 CA PRO A 95 -8.168 3.959 -6.628 1.00 10.00 C ATOM 1352 C PRO A 95 -9.065 3.497 -5.480 1.00 10.00 C ATOM 1353 O PRO A 95 -10.005 2.730 -5.677 1.00 10.00 O ATOM 1354 CB PRO A 95 -8.538 3.300 -7.954 1.00 10.00 C ATOM 1355 CG PRO A 95 -7.823 1.949 -7.867 1.00 10.00 C ATOM 1356 CD PRO A 95 -6.532 2.287 -7.116 1.00 10.00 C ATOM 0 HA PRO A 95 -8.275 5.042 -6.692 1.00 10.00 H new ATOM 0 HB2 PRO A 95 -9.616 3.182 -8.061 1.00 10.00 H new ATOM 0 HB3 PRO A 95 -8.195 3.886 -8.807 1.00 10.00 H new ATOM 0 HG2 PRO A 95 -8.420 1.211 -7.331 1.00 10.00 H new ATOM 0 HG3 PRO A 95 -7.618 1.537 -8.855 1.00 10.00 H new ATOM 0 HD2 PRO A 95 -6.244 1.475 -6.448 1.00 10.00 H new ATOM 0 HD3 PRO A 95 -5.705 2.438 -7.809 1.00 10.00 H new ATOM 1364 N ALA A 96 -8.724 3.930 -4.265 1.00 10.00 N ATOM 1365 CA ALA A 96 -9.185 3.335 -3.029 1.00 10.00 C ATOM 1366 C ALA A 96 -8.686 1.894 -2.938 1.00 10.00 C ATOM 1367 O ALA A 96 -7.906 1.458 -3.785 1.00 10.00 O ATOM 1368 CB ALA A 96 -10.701 3.445 -2.941 1.00 10.00 C ATOM 0 H ALA A 96 -8.103 4.726 -4.120 1.00 10.00 H new ATOM 0 HA ALA A 96 -8.777 3.870 -2.172 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -11.045 2.996 -2.009 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -10.992 4.495 -2.967 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -11.153 2.923 -3.784 1.00 10.00 H new ATOM 1374 N ARG A 97 -9.087 1.157 -1.899 1.00 10.00 N ATOM 1375 CA ARG A 97 -8.883 -0.282 -1.752 1.00 10.00 C ATOM 1376 C ARG A 97 -7.443 -0.826 -1.868 1.00 10.00 C ATOM 1377 O ARG A 97 -7.239 -2.027 -1.683 1.00 10.00 O ATOM 1378 CB ARG A 97 -9.860 -1.004 -2.694 1.00 10.00 C ATOM 1379 CG ARG A 97 -10.933 -1.753 -1.899 1.00 10.00 C ATOM 1380 CD ARG A 97 -10.362 -3.072 -1.361 1.00 10.00 C ATOM 1381 NE ARG A 97 -11.406 -3.898 -0.737 1.00 10.00 N ATOM 1382 CZ ARG A 97 -11.208 -5.148 -0.288 1.00 10.00 C ATOM 1383 NH1 ARG A 97 -9.985 -5.686 -0.343 1.00 10.00 N ATOM 1384 NH2 ARG A 97 -12.231 -5.851 0.211 1.00 10.00 N ATOM 0 H ARG A 97 -9.582 1.565 -1.106 1.00 10.00 H new ATOM 0 HA ARG A 97 -9.092 -0.499 -0.704 1.00 10.00 H new ATOM 0 HB2 ARG A 97 -10.333 -0.280 -3.358 1.00 10.00 H new ATOM 0 HB3 ARG A 97 -9.313 -1.705 -3.324 1.00 10.00 H new ATOM 0 HG2 ARG A 97 -11.283 -1.135 -1.072 1.00 10.00 H new ATOM 0 HG3 ARG A 97 -11.795 -1.953 -2.535 1.00 10.00 H new ATOM 0 HD2 ARG A 97 -9.896 -3.627 -2.176 1.00 10.00 H new ATOM 0 HD3 ARG A 97 -9.580 -2.860 -0.632 1.00 10.00 H new ATOM 0 HE ARG A 97 -12.339 -3.497 -0.639 1.00 10.00 H new ATOM 0 HH11 ARG A 97 -9.208 -5.147 -0.725 1.00 10.00 H new ATOM 0 HH12 ARG A 97 -9.830 -6.635 -0.003 1.00 10.00 H new ATOM 0 HH21 ARG A 97 -13.163 -5.438 0.251 1.00 10.00 H new ATOM 0 HH22 ARG A 97 -12.079 -6.800 0.552 1.00 10.00 H new ATOM 1398 N GLY A 98 -6.440 0.013 -2.143 1.00 10.00 N ATOM 1399 CA GLY A 98 -5.060 -0.387 -2.353 1.00 10.00 C ATOM 1400 C GLY A 98 -4.398 -0.851 -1.062 1.00 10.00 C ATOM 1401 O GLY A 98 -3.584 -0.143 -0.474 1.00 10.00 O ATOM 0 H GLY A 98 -6.579 1.020 -2.227 1.00 10.00 H new ATOM 0 HA2 GLY A 98 -5.023 -1.191 -3.088 1.00 10.00 H new ATOM 0 HA3 GLY A 98 -4.499 0.450 -2.768 1.00 10.00 H new ATOM 1405 N THR A 99 -4.703 -2.076 -0.647 1.00 10.00 N ATOM 1406 CA THR A 99 -3.946 -2.766 0.381 1.00 10.00 C ATOM 1407 C THR A 99 -2.726 -3.391 -0.286 1.00 10.00 C ATOM 1408 O THR A 99 -2.515 -4.601 -0.199 1.00 10.00 O ATOM 1409 CB THR A 99 -4.836 -3.748 1.159 1.00 10.00 C ATOM 1410 OG1 THR A 99 -4.058 -4.523 2.047 1.00 10.00 O ATOM 1411 CG2 THR A 99 -5.625 -4.688 0.250 1.00 10.00 C ATOM 0 H THR A 99 -5.485 -2.616 -1.018 1.00 10.00 H new ATOM 0 HA THR A 99 -3.586 -2.079 1.147 1.00 10.00 H new ATOM 0 HB THR A 99 -5.551 -3.136 1.710 1.00 10.00 H new ATOM 0 HG1 THR A 99 -3.315 -4.934 1.558 1.00 10.00 H new ATOM 0 HG21 THR A 99 -6.234 -5.357 0.859 1.00 10.00 H new ATOM 0 HG22 THR A 99 -6.271 -4.103 -0.405 1.00 10.00 H new ATOM 0 HG23 THR A 99 -4.933 -5.276 -0.354 1.00 10.00 H new ATOM 1419 N LEU A 100 -1.933 -2.547 -0.954 1.00 10.00 N ATOM 1420 CA LEU A 100 -0.799 -3.003 -1.734 1.00 10.00 C ATOM 1421 C LEU A 100 0.490 -2.897 -0.923 1.00 10.00 C ATOM 1422 O LEU A 100 0.492 -2.536 0.254 1.00 10.00 O ATOM 1423 CB LEU A 100 -0.793 -2.346 -3.126 1.00 10.00 C ATOM 1424 CG LEU A 100 -0.502 -0.838 -3.192 1.00 10.00 C ATOM 1425 CD1 LEU A 100 0.995 -0.538 -3.059 1.00 10.00 C ATOM 1426 CD2 LEU A 100 -0.962 -0.311 -4.555 1.00 10.00 C ATOM 0 H LEU A 100 -2.066 -1.536 -0.964 1.00 10.00 H new ATOM 0 HA LEU A 100 -0.886 -4.068 -1.951 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -0.052 -2.860 -3.738 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -1.765 -2.523 -3.587 1.00 10.00 H new ATOM 0 HG LEU A 100 -1.031 -0.359 -2.368 1.00 10.00 H new ATOM 0 HD11 LEU A 100 1.156 0.539 -3.111 1.00 10.00 H new ATOM 0 HD12 LEU A 100 1.358 -0.914 -2.102 1.00 10.00 H new ATOM 0 HD13 LEU A 100 1.537 -1.026 -3.869 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -0.762 0.759 -4.618 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -0.420 -0.828 -5.347 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -2.031 -0.488 -4.672 1.00 10.00 H new ATOM 1438 N THR A 101 1.591 -3.256 -1.565 1.00 10.00 N ATOM 1439 CA THR A 101 2.881 -3.521 -0.966 1.00 10.00 C ATOM 1440 C THR A 101 3.894 -2.670 -1.722 1.00 10.00 C ATOM 1441 O THR A 101 3.897 -2.671 -2.949 1.00 10.00 O ATOM 1442 CB THR A 101 3.167 -5.035 -1.044 1.00 10.00 C ATOM 1443 OG1 THR A 101 4.522 -5.294 -0.742 1.00 10.00 O ATOM 1444 CG2 THR A 101 2.808 -5.660 -2.401 1.00 10.00 C ATOM 0 H THR A 101 1.604 -3.376 -2.578 1.00 10.00 H new ATOM 0 HA THR A 101 2.927 -3.257 0.091 1.00 10.00 H new ATOM 0 HB THR A 101 2.520 -5.504 -0.303 1.00 10.00 H new ATOM 0 HG1 THR A 101 4.655 -6.259 -0.636 1.00 10.00 H new ATOM 0 HG21 THR A 101 3.036 -6.726 -2.382 1.00 10.00 H new ATOM 0 HG22 THR A 101 1.745 -5.520 -2.596 1.00 10.00 H new ATOM 0 HG23 THR A 101 3.388 -5.179 -3.188 1.00 10.00 H new ATOM 1452 N LEU A 102 4.712 -1.909 -0.998 1.00 10.00 N ATOM 1453 CA LEU A 102 5.885 -1.246 -1.537 1.00 10.00 C ATOM 1454 C LEU A 102 7.024 -2.207 -1.216 1.00 10.00 C ATOM 1455 O LEU A 102 7.253 -2.484 -0.042 1.00 10.00 O ATOM 1456 CB LEU A 102 6.076 0.136 -0.893 1.00 10.00 C ATOM 1457 CG LEU A 102 5.192 1.236 -1.521 1.00 10.00 C ATOM 1458 CD1 LEU A 102 3.731 0.820 -1.662 1.00 10.00 C ATOM 1459 CD2 LEU A 102 5.296 2.543 -0.732 1.00 10.00 C ATOM 0 H LEU A 102 4.571 -1.736 -0.003 1.00 10.00 H new ATOM 0 HA LEU A 102 5.818 -1.045 -2.606 1.00 10.00 H new ATOM 0 HB2 LEU A 102 5.853 0.066 0.172 1.00 10.00 H new ATOM 0 HB3 LEU A 102 7.123 0.428 -0.981 1.00 10.00 H new ATOM 0 HG LEU A 102 5.577 1.395 -2.528 1.00 10.00 H new ATOM 0 HD11 LEU A 102 3.162 1.635 -2.109 1.00 10.00 H new ATOM 0 HD12 LEU A 102 3.664 -0.062 -2.299 1.00 10.00 H new ATOM 0 HD13 LEU A 102 3.322 0.589 -0.678 1.00 10.00 H new ATOM 0 HD21 LEU A 102 4.664 3.300 -1.196 1.00 10.00 H new ATOM 0 HD22 LEU A 102 4.968 2.376 0.294 1.00 10.00 H new ATOM 0 HD23 LEU A 102 6.331 2.886 -0.731 1.00 10.00 H new ATOM 1471 N GLN A 103 7.655 -2.792 -2.234 1.00 10.00 N ATOM 1472 CA GLN A 103 8.528 -3.948 -2.103 1.00 10.00 C ATOM 1473 C GLN A 103 9.498 -4.007 -3.285 1.00 10.00 C ATOM 1474 O GLN A 103 9.224 -3.449 -4.341 1.00 10.00 O ATOM 1475 CB GLN A 103 7.656 -5.212 -2.062 1.00 10.00 C ATOM 1476 CG GLN A 103 6.649 -5.199 -3.216 1.00 10.00 C ATOM 1477 CD GLN A 103 5.869 -6.493 -3.325 1.00 10.00 C ATOM 1478 OE1 GLN A 103 5.727 -7.240 -2.359 1.00 10.00 O ATOM 1479 NE2 GLN A 103 5.345 -6.758 -4.512 1.00 10.00 N ATOM 0 H GLN A 103 7.568 -2.463 -3.196 1.00 10.00 H new ATOM 0 HA GLN A 103 9.113 -3.875 -1.187 1.00 10.00 H new ATOM 0 HB2 GLN A 103 8.286 -6.099 -2.130 1.00 10.00 H new ATOM 0 HB3 GLN A 103 7.128 -5.267 -1.110 1.00 10.00 H new ATOM 0 HG2 GLN A 103 5.954 -4.371 -3.077 1.00 10.00 H new ATOM 0 HG3 GLN A 103 7.177 -5.018 -4.152 1.00 10.00 H new ATOM 0 HE21 GLN A 103 5.487 -6.111 -5.288 1.00 10.00 H new ATOM 0 HE22 GLN A 103 4.800 -7.609 -4.650 1.00 10.00 H new ATOM 1488 N ARG A 104 10.607 -4.732 -3.123 1.00 10.00 N ATOM 1489 CA ARG A 104 11.624 -4.954 -4.148 1.00 10.00 C ATOM 1490 C ARG A 104 11.038 -5.301 -5.519 1.00 10.00 C ATOM 1491 O ARG A 104 11.393 -4.676 -6.518 1.00 10.00 O ATOM 1492 CB ARG A 104 12.537 -6.076 -3.646 1.00 10.00 C ATOM 1493 CG ARG A 104 13.591 -6.584 -4.641 1.00 10.00 C ATOM 1494 CD ARG A 104 14.680 -7.234 -3.782 1.00 10.00 C ATOM 1495 NE ARG A 104 15.525 -8.218 -4.477 1.00 10.00 N ATOM 1496 CZ ARG A 104 16.453 -8.935 -3.815 1.00 10.00 C ATOM 1497 NH1 ARG A 104 16.701 -8.664 -2.535 1.00 10.00 N ATOM 1498 NH2 ARG A 104 17.121 -9.922 -4.417 1.00 10.00 N ATOM 0 H ARG A 104 10.827 -5.196 -2.242 1.00 10.00 H new ATOM 0 HA ARG A 104 12.178 -4.028 -4.302 1.00 10.00 H new ATOM 0 HB2 ARG A 104 13.051 -5.726 -2.751 1.00 10.00 H new ATOM 0 HB3 ARG A 104 11.913 -6.918 -3.347 1.00 10.00 H new ATOM 0 HG2 ARG A 104 13.159 -7.302 -5.338 1.00 10.00 H new ATOM 0 HG3 ARG A 104 13.996 -5.766 -5.236 1.00 10.00 H new ATOM 0 HD2 ARG A 104 15.320 -6.449 -3.381 1.00 10.00 H new ATOM 0 HD3 ARG A 104 14.205 -7.723 -2.932 1.00 10.00 H new ATOM 0 HE ARG A 104 15.405 -8.360 -5.480 1.00 10.00 H new ATOM 0 HH11 ARG A 104 16.190 -7.918 -2.063 1.00 10.00 H new ATOM 0 HH12 ARG A 104 17.402 -9.202 -2.026 1.00 10.00 H new ATOM 0 HH21 ARG A 104 16.932 -10.144 -5.394 1.00 10.00 H new ATOM 0 HH22 ARG A 104 17.820 -10.454 -3.899 1.00 10.00 H new ATOM 1512 N ASP A 105 10.195 -6.336 -5.561 1.00 10.00 N ATOM 1513 CA ASP A 105 9.669 -6.903 -6.796 1.00 10.00 C ATOM 1514 C ASP A 105 8.948 -5.847 -7.632 1.00 10.00 C ATOM 1515 O ASP A 105 9.350 -5.529 -8.751 1.00 10.00 O ATOM 1516 CB ASP A 105 8.726 -8.062 -6.454 1.00 10.00 C ATOM 1517 CG ASP A 105 8.005 -8.554 -7.703 1.00 10.00 C ATOM 1518 OD1 ASP A 105 8.612 -9.381 -8.414 1.00 10.00 O ATOM 1519 OD2 ASP A 105 6.873 -8.075 -7.926 1.00 10.00 O ATOM 0 H ASP A 105 9.856 -6.808 -4.722 1.00 10.00 H new ATOM 0 HA ASP A 105 10.500 -7.274 -7.395 1.00 10.00 H new ATOM 0 HB2 ASP A 105 9.293 -8.880 -6.009 1.00 10.00 H new ATOM 0 HB3 ASP A 105 7.997 -7.738 -5.711 1.00 10.00 H new ATOM 1524 N GLY A 106 7.866 -5.309 -7.077 1.00 10.00 N ATOM 1525 CA GLY A 106 6.910 -4.536 -7.837 1.00 10.00 C ATOM 1526 C GLY A 106 6.020 -3.743 -6.885 1.00 10.00 C ATOM 1527 O GLY A 106 5.553 -4.306 -5.897 1.00 10.00 O ATOM 0 H GLY A 106 7.634 -5.401 -6.088 1.00 10.00 H new ATOM 0 HA2 GLY A 106 7.431 -3.858 -8.513 1.00 10.00 H new ATOM 0 HA3 GLY A 106 6.301 -5.197 -8.454 1.00 10.00 H new ATOM 1531 N ASP A 107 5.797 -2.463 -7.231 1.00 10.00 N ATOM 1532 CA ASP A 107 5.173 -1.363 -6.489 1.00 10.00 C ATOM 1533 C ASP A 107 6.146 -0.986 -5.393 1.00 10.00 C ATOM 1534 O ASP A 107 6.580 -1.859 -4.648 1.00 10.00 O ATOM 1535 CB ASP A 107 3.767 -1.637 -5.923 1.00 10.00 C ATOM 1536 CG ASP A 107 2.594 -1.370 -6.864 1.00 10.00 C ATOM 1537 OD1 ASP A 107 2.800 -0.715 -7.909 1.00 10.00 O ATOM 1538 OD2 ASP A 107 1.494 -1.879 -6.564 1.00 10.00 O ATOM 0 H ASP A 107 6.088 -2.140 -8.154 1.00 10.00 H new ATOM 0 HA ASP A 107 4.987 -0.550 -7.190 1.00 10.00 H new ATOM 0 HB2 ASP A 107 3.722 -2.680 -5.608 1.00 10.00 H new ATOM 0 HB3 ASP A 107 3.634 -1.028 -5.029 1.00 10.00 H new ATOM 1543 N HIS A 108 6.618 0.260 -5.383 1.00 10.00 N ATOM 1544 CA HIS A 108 7.624 0.733 -4.443 1.00 10.00 C ATOM 1545 C HIS A 108 7.987 2.174 -4.779 1.00 10.00 C ATOM 1546 O HIS A 108 7.616 2.682 -5.835 1.00 10.00 O ATOM 1547 CB HIS A 108 8.890 -0.143 -4.413 1.00 10.00 C ATOM 1548 CG HIS A 108 9.372 -0.665 -5.741 1.00 10.00 C ATOM 1549 ND1 HIS A 108 8.806 -1.700 -6.445 1.00 10.00 N ATOM 1550 CD2 HIS A 108 10.625 -0.480 -6.246 1.00 10.00 C ATOM 1551 CE1 HIS A 108 9.705 -2.135 -7.331 1.00 10.00 C ATOM 1552 NE2 HIS A 108 10.825 -1.387 -7.298 1.00 10.00 N ATOM 0 H HIS A 108 6.306 0.977 -6.038 1.00 10.00 H new ATOM 0 HA HIS A 108 7.189 0.672 -3.446 1.00 10.00 H new ATOM 0 HB2 HIS A 108 9.695 0.435 -3.960 1.00 10.00 H new ATOM 0 HB3 HIS A 108 8.702 -0.994 -3.759 1.00 10.00 H new ATOM 0 HD2 HIS A 108 11.345 0.245 -5.895 1.00 10.00 H new ATOM 0 HE1 HIS A 108 9.554 -2.978 -7.989 1.00 10.00 H new ATOM 0 HE2 HIS A 108 11.641 -1.463 -7.905 1.00 10.00 H new ATOM 1560 N VAL A 109 8.769 2.807 -3.906 1.00 10.00 N ATOM 1561 CA VAL A 109 9.621 3.916 -4.290 1.00 10.00 C ATOM 1562 C VAL A 109 11.013 3.315 -4.440 1.00 10.00 C ATOM 1563 O VAL A 109 11.494 2.726 -3.472 1.00 10.00 O ATOM 1564 CB VAL A 109 9.632 5.004 -3.203 1.00 10.00 C ATOM 1565 CG1 VAL A 109 10.352 6.246 -3.743 1.00 10.00 C ATOM 1566 CG2 VAL A 109 8.219 5.386 -2.745 1.00 10.00 C ATOM 0 H VAL A 109 8.825 2.562 -2.918 1.00 10.00 H new ATOM 0 HA VAL A 109 9.271 4.390 -5.207 1.00 10.00 H new ATOM 0 HB VAL A 109 10.156 4.603 -2.335 1.00 10.00 H new ATOM 0 HG11 VAL A 109 10.363 7.022 -2.977 1.00 10.00 H new ATOM 0 HG12 VAL A 109 11.376 5.985 -4.011 1.00 10.00 H new ATOM 0 HG13 VAL A 109 9.829 6.615 -4.625 1.00 10.00 H new ATOM 0 HG21 VAL A 109 8.281 6.157 -1.977 1.00 10.00 H new ATOM 0 HG22 VAL A 109 7.651 5.765 -3.595 1.00 10.00 H new ATOM 0 HG23 VAL A 109 7.719 4.508 -2.337 1.00 10.00 H new ATOM 1576 N MET A 110 11.649 3.463 -5.606 1.00 10.00 N ATOM 1577 CA MET A 110 13.079 3.258 -5.757 1.00 10.00 C ATOM 1578 C MET A 110 13.766 4.550 -5.323 1.00 10.00 C ATOM 1579 O MET A 110 13.797 5.544 -6.045 1.00 10.00 O ATOM 1580 CB MET A 110 13.470 2.858 -7.188 1.00 10.00 C ATOM 1581 CG MET A 110 12.978 1.444 -7.503 1.00 10.00 C ATOM 1582 SD MET A 110 13.659 0.641 -8.973 1.00 10.00 S ATOM 1583 CE MET A 110 15.251 0.105 -8.319 1.00 10.00 C ATOM 0 H MET A 110 11.178 3.730 -6.471 1.00 10.00 H new ATOM 0 HA MET A 110 13.400 2.423 -5.134 1.00 10.00 H new ATOM 0 HB2 MET A 110 13.042 3.565 -7.899 1.00 10.00 H new ATOM 0 HB3 MET A 110 14.553 2.906 -7.302 1.00 10.00 H new ATOM 0 HG2 MET A 110 13.194 0.811 -6.642 1.00 10.00 H new ATOM 0 HG3 MET A 110 11.894 1.479 -7.609 1.00 10.00 H new ATOM 0 HE1 MET A 110 15.878 -0.253 -9.136 1.00 10.00 H new ATOM 0 HE2 MET A 110 15.742 0.943 -7.825 1.00 10.00 H new ATOM 0 HE3 MET A 110 15.097 -0.700 -7.601 1.00 10.00 H new ATOM 1593 N LEU A 111 14.293 4.524 -4.106 1.00 10.00 N ATOM 1594 CA LEU A 111 15.061 5.591 -3.493 1.00 10.00 C ATOM 1595 C LEU A 111 16.490 5.476 -4.023 1.00 10.00 C ATOM 1596 O LEU A 111 17.397 5.034 -3.322 1.00 10.00 O ATOM 1597 CB LEU A 111 14.974 5.429 -1.967 1.00 10.00 C ATOM 1598 CG LEU A 111 13.632 5.948 -1.430 1.00 10.00 C ATOM 1599 CD1 LEU A 111 13.272 5.236 -0.125 1.00 10.00 C ATOM 1600 CD2 LEU A 111 13.712 7.458 -1.179 1.00 10.00 C ATOM 0 H LEU A 111 14.189 3.716 -3.492 1.00 10.00 H new ATOM 0 HA LEU A 111 14.683 6.584 -3.735 1.00 10.00 H new ATOM 0 HB2 LEU A 111 15.093 4.378 -1.703 1.00 10.00 H new ATOM 0 HB3 LEU A 111 15.793 5.971 -1.494 1.00 10.00 H new ATOM 0 HG LEU A 111 12.862 5.745 -2.174 1.00 10.00 H new ATOM 0 HD11 LEU A 111 12.319 5.614 0.244 1.00 10.00 H new ATOM 0 HD12 LEU A 111 13.192 4.164 -0.305 1.00 10.00 H new ATOM 0 HD13 LEU A 111 14.048 5.422 0.617 1.00 10.00 H new ATOM 0 HD21 LEU A 111 12.755 7.815 -0.799 1.00 10.00 H new ATOM 0 HD22 LEU A 111 14.493 7.664 -0.447 1.00 10.00 H new ATOM 0 HD23 LEU A 111 13.945 7.970 -2.113 1.00 10.00 H new ATOM 1612 N MET A 112 16.672 5.875 -5.281 1.00 10.00 N ATOM 1613 CA MET A 112 17.914 5.676 -6.007 1.00 10.00 C ATOM 1614 C MET A 112 18.896 6.805 -5.694 1.00 10.00 C ATOM 1615 O MET A 112 18.492 7.942 -5.444 1.00 10.00 O ATOM 1616 CB MET A 112 17.582 5.567 -7.502 1.00 10.00 C ATOM 1617 CG MET A 112 18.795 5.221 -8.374 1.00 10.00 C ATOM 1618 SD MET A 112 18.468 5.063 -10.151 1.00 10.00 S ATOM 1619 CE MET A 112 17.296 3.688 -10.182 1.00 10.00 C ATOM 0 H MET A 112 15.951 6.349 -5.825 1.00 10.00 H new ATOM 0 HA MET A 112 18.406 4.754 -5.698 1.00 10.00 H new ATOM 0 HB2 MET A 112 16.815 4.805 -7.641 1.00 10.00 H new ATOM 0 HB3 MET A 112 17.158 6.512 -7.842 1.00 10.00 H new ATOM 0 HG2 MET A 112 19.554 5.990 -8.230 1.00 10.00 H new ATOM 0 HG3 MET A 112 19.220 4.283 -8.017 1.00 10.00 H new ATOM 0 HE1 MET A 112 17.170 3.340 -11.207 1.00 10.00 H new ATOM 0 HE2 MET A 112 17.675 2.873 -9.566 1.00 10.00 H new ATOM 0 HE3 MET A 112 16.334 4.021 -9.792 1.00 10.00 H new ATOM 1629 N GLY A 113 20.201 6.523 -5.725 1.00 10.00 N ATOM 1630 CA GLY A 113 21.207 7.564 -5.607 1.00 10.00 C ATOM 1631 C GLY A 113 21.552 7.817 -4.143 1.00 10.00 C ATOM 1632 O GLY A 113 21.225 8.875 -3.609 1.00 10.00 O ATOM 0 H GLY A 113 20.578 5.581 -5.831 1.00 10.00 H new ATOM 0 HA2 GLY A 113 22.105 7.273 -6.152 1.00 10.00 H new ATOM 0 HA3 GLY A 113 20.841 8.484 -6.064 1.00 10.00 H new ATOM 1636 N LEU A 114 22.207 6.842 -3.510 1.00 10.00 N ATOM 1637 CA LEU A 114 22.812 6.931 -2.180 1.00 10.00 C ATOM 1638 C LEU A 114 23.409 8.315 -1.884 1.00 10.00 C ATOM 1639 O LEU A 114 24.162 8.831 -2.709 1.00 10.00 O ATOM 1640 CB LEU A 114 23.924 5.869 -2.144 1.00 10.00 C ATOM 1641 CG LEU A 114 24.787 5.837 -0.872 1.00 10.00 C ATOM 1642 CD1 LEU A 114 25.142 4.383 -0.541 1.00 10.00 C ATOM 1643 CD2 LEU A 114 26.108 6.600 -1.046 1.00 10.00 C ATOM 0 H LEU A 114 22.336 5.923 -3.933 1.00 10.00 H new ATOM 0 HA LEU A 114 22.047 6.767 -1.421 1.00 10.00 H new ATOM 0 HB2 LEU A 114 23.466 4.888 -2.273 1.00 10.00 H new ATOM 0 HB3 LEU A 114 24.580 6.030 -3.000 1.00 10.00 H new ATOM 0 HG LEU A 114 24.206 6.308 -0.079 1.00 10.00 H new ATOM 0 HD11 LEU A 114 25.754 4.354 0.360 1.00 10.00 H new ATOM 0 HD12 LEU A 114 24.227 3.813 -0.377 1.00 10.00 H new ATOM 0 HD13 LEU A 114 25.697 3.946 -1.371 1.00 10.00 H new ATOM 0 HD21 LEU A 114 26.682 6.549 -0.121 1.00 10.00 H new ATOM 0 HD22 LEU A 114 26.683 6.151 -1.856 1.00 10.00 H new ATOM 0 HD23 LEU A 114 25.897 7.642 -1.285 1.00 10.00 H new ATOM 1655 N LYS A 115 23.141 8.879 -0.695 1.00 10.00 N ATOM 1656 CA LYS A 115 23.996 9.915 -0.115 1.00 10.00 C ATOM 1657 C LYS A 115 24.944 9.340 0.944 1.00 10.00 C ATOM 1658 O LYS A 115 26.152 9.364 0.730 1.00 10.00 O ATOM 1659 CB LYS A 115 23.186 11.104 0.422 1.00 10.00 C ATOM 1660 CG LYS A 115 22.593 11.946 -0.722 1.00 10.00 C ATOM 1661 CD LYS A 115 21.113 11.638 -0.945 1.00 10.00 C ATOM 1662 CE LYS A 115 20.205 12.349 0.070 1.00 10.00 C ATOM 1663 NZ LYS A 115 19.691 13.632 -0.448 1.00 10.00 N ATOM 0 H LYS A 115 22.336 8.631 -0.119 1.00 10.00 H new ATOM 0 HA LYS A 115 24.616 10.303 -0.924 1.00 10.00 H new ATOM 0 HB2 LYS A 115 22.382 10.739 1.061 1.00 10.00 H new ATOM 0 HB3 LYS A 115 23.826 11.731 1.042 1.00 10.00 H new ATOM 0 HG2 LYS A 115 22.714 13.005 -0.494 1.00 10.00 H new ATOM 0 HG3 LYS A 115 23.147 11.753 -1.641 1.00 10.00 H new ATOM 0 HD2 LYS A 115 20.830 11.939 -1.954 1.00 10.00 H new ATOM 0 HD3 LYS A 115 20.955 10.562 -0.878 1.00 10.00 H new ATOM 0 HE2 LYS A 115 19.367 11.699 0.324 1.00 10.00 H new ATOM 0 HE3 LYS A 115 20.761 12.527 0.991 1.00 10.00 H new ATOM 0 HZ1 LYS A 115 19.083 14.077 0.269 1.00 10.00 H new ATOM 0 HZ2 LYS A 115 20.489 14.263 -0.666 1.00 10.00 H new ATOM 0 HZ3 LYS A 115 19.138 13.461 -1.312 1.00 10.00 H new ATOM 1677 N ARG A 116 24.439 8.870 2.095 1.00 10.00 N ATOM 1678 CA ARG A 116 25.315 8.473 3.207 1.00 10.00 C ATOM 1679 C ARG A 116 24.637 7.708 4.361 1.00 10.00 C ATOM 1680 O ARG A 116 25.087 6.606 4.674 1.00 10.00 O ATOM 1681 CB ARG A 116 26.132 9.673 3.739 1.00 10.00 C ATOM 1682 CG ARG A 116 27.642 9.456 3.554 1.00 10.00 C ATOM 1683 CD ARG A 116 28.428 10.712 3.946 1.00 10.00 C ATOM 1684 NE ARG A 116 29.865 10.536 3.680 1.00 10.00 N ATOM 1685 CZ ARG A 116 30.795 11.499 3.795 1.00 10.00 C ATOM 1686 NH1 ARG A 116 30.442 12.716 4.225 1.00 10.00 N ATOM 1687 NH2 ARG A 116 32.069 11.243 3.477 1.00 10.00 N ATOM 0 H ARG A 116 23.442 8.757 2.279 1.00 10.00 H new ATOM 0 HA ARG A 116 25.989 7.742 2.760 1.00 10.00 H new ATOM 0 HB2 ARG A 116 25.828 10.581 3.218 1.00 10.00 H new ATOM 0 HB3 ARG A 116 25.912 9.824 4.796 1.00 10.00 H new ATOM 0 HG2 ARG A 116 27.969 8.613 4.162 1.00 10.00 H new ATOM 0 HG3 ARG A 116 27.852 9.200 2.515 1.00 10.00 H new ATOM 0 HD2 ARG A 116 28.053 11.570 3.388 1.00 10.00 H new ATOM 0 HD3 ARG A 116 28.273 10.928 5.003 1.00 10.00 H new ATOM 0 HE ARG A 116 30.179 9.611 3.386 1.00 10.00 H new ATOM 0 HH11 ARG A 116 29.470 12.910 4.464 1.00 10.00 H new ATOM 0 HH12 ARG A 116 31.145 13.449 4.314 1.00 10.00 H new ATOM 0 HH21 ARG A 116 32.336 10.316 3.147 1.00 10.00 H new ATOM 0 HH22 ARG A 116 32.774 11.975 3.565 1.00 10.00 H new ATOM 1701 N PRO A 117 23.625 8.264 5.052 1.00 10.00 N ATOM 1702 CA PRO A 117 23.153 7.703 6.316 1.00 10.00 C ATOM 1703 C PRO A 117 22.257 6.483 6.078 1.00 10.00 C ATOM 1704 O PRO A 117 21.035 6.571 6.180 1.00 10.00 O ATOM 1705 CB PRO A 117 22.427 8.855 7.018 1.00 10.00 C ATOM 1706 CG PRO A 117 21.876 9.670 5.850 1.00 10.00 C ATOM 1707 CD PRO A 117 22.969 9.539 4.788 1.00 10.00 C ATOM 0 HA PRO A 117 23.966 7.328 6.937 1.00 10.00 H new ATOM 0 HB2 PRO A 117 21.632 8.494 7.670 1.00 10.00 H new ATOM 0 HB3 PRO A 117 23.105 9.443 7.637 1.00 10.00 H new ATOM 0 HG2 PRO A 117 20.923 9.276 5.498 1.00 10.00 H new ATOM 0 HG3 PRO A 117 21.707 10.710 6.129 1.00 10.00 H new ATOM 0 HD2 PRO A 117 22.544 9.560 3.784 1.00 10.00 H new ATOM 0 HD3 PRO A 117 23.678 10.365 4.852 1.00 10.00 H new ATOM 1715 N LEU A 118 22.873 5.350 5.734 1.00 10.00 N ATOM 1716 CA LEU A 118 22.191 4.087 5.477 1.00 10.00 C ATOM 1717 C LEU A 118 22.870 2.918 6.189 1.00 10.00 C ATOM 1718 O LEU A 118 23.111 1.863 5.602 1.00 10.00 O ATOM 1719 CB LEU A 118 22.087 3.846 3.968 1.00 10.00 C ATOM 1720 CG LEU A 118 23.450 3.947 3.262 1.00 10.00 C ATOM 1721 CD1 LEU A 118 23.744 2.688 2.443 1.00 10.00 C ATOM 1722 CD2 LEU A 118 23.461 5.178 2.354 1.00 10.00 C ATOM 0 H LEU A 118 23.885 5.288 5.625 1.00 10.00 H new ATOM 0 HA LEU A 118 21.183 4.154 5.886 1.00 10.00 H new ATOM 0 HB2 LEU A 118 21.661 2.859 3.789 1.00 10.00 H new ATOM 0 HB3 LEU A 118 21.401 4.573 3.533 1.00 10.00 H new ATOM 0 HG LEU A 118 24.227 4.042 4.020 1.00 10.00 H new ATOM 0 HD11 LEU A 118 24.714 2.789 1.956 1.00 10.00 H new ATOM 0 HD12 LEU A 118 23.758 1.820 3.102 1.00 10.00 H new ATOM 0 HD13 LEU A 118 22.970 2.557 1.687 1.00 10.00 H new ATOM 0 HD21 LEU A 118 24.426 5.252 1.853 1.00 10.00 H new ATOM 0 HD22 LEU A 118 22.671 5.087 1.609 1.00 10.00 H new ATOM 0 HD23 LEU A 118 23.294 6.073 2.953 1.00 10.00 H new ATOM 1734 N LYS A 119 23.159 3.089 7.473 1.00 10.00 N ATOM 1735 CA LYS A 119 23.675 2.022 8.309 1.00 10.00 C ATOM 1736 C LYS A 119 22.617 0.924 8.408 1.00 10.00 C ATOM 1737 O LYS A 119 21.419 1.199 8.407 1.00 10.00 O ATOM 1738 CB LYS A 119 24.020 2.598 9.691 1.00 10.00 C ATOM 1739 CG LYS A 119 24.846 1.661 10.582 1.00 10.00 C ATOM 1740 CD LYS A 119 25.492 2.409 11.762 1.00 10.00 C ATOM 1741 CE LYS A 119 24.592 2.637 12.989 1.00 10.00 C ATOM 1742 NZ LYS A 119 23.377 3.427 12.707 1.00 10.00 N ATOM 0 H LYS A 119 23.040 3.976 7.962 1.00 10.00 H new ATOM 0 HA LYS A 119 24.581 1.591 7.882 1.00 10.00 H new ATOM 0 HB2 LYS A 119 24.570 3.529 9.556 1.00 10.00 H new ATOM 0 HB3 LYS A 119 23.094 2.848 10.208 1.00 10.00 H new ATOM 0 HG2 LYS A 119 24.206 0.866 10.964 1.00 10.00 H new ATOM 0 HG3 LYS A 119 25.624 1.185 9.985 1.00 10.00 H new ATOM 0 HD2 LYS A 119 26.373 1.852 12.081 1.00 10.00 H new ATOM 0 HD3 LYS A 119 25.839 3.379 11.406 1.00 10.00 H new ATOM 0 HE2 LYS A 119 24.297 1.669 13.395 1.00 10.00 H new ATOM 0 HE3 LYS A 119 25.171 3.144 13.761 1.00 10.00 H new ATOM 0 HZ1 LYS A 119 23.133 3.999 13.541 1.00 10.00 H new ATOM 0 HZ2 LYS A 119 23.551 4.054 11.896 1.00 10.00 H new ATOM 0 HZ3 LYS A 119 22.589 2.785 12.485 1.00 10.00 H new ATOM 1756 N VAL A 120 23.054 -0.328 8.534 1.00 10.00 N ATOM 1757 CA VAL A 120 22.172 -1.382 9.001 1.00 10.00 C ATOM 1758 C VAL A 120 21.759 -1.030 10.433 1.00 10.00 C ATOM 1759 O VAL A 120 22.592 -1.038 11.336 1.00 10.00 O ATOM 1760 CB VAL A 120 22.827 -2.770 8.851 1.00 10.00 C ATOM 1761 CG1 VAL A 120 24.173 -2.938 9.574 1.00 10.00 C ATOM 1762 CG2 VAL A 120 21.861 -3.864 9.322 1.00 10.00 C ATOM 0 H VAL A 120 24.005 -0.630 8.320 1.00 10.00 H new ATOM 0 HA VAL A 120 21.271 -1.448 8.391 1.00 10.00 H new ATOM 0 HB VAL A 120 23.045 -2.864 7.787 1.00 10.00 H new ATOM 0 HG11 VAL A 120 24.552 -3.947 9.408 1.00 10.00 H new ATOM 0 HG12 VAL A 120 24.888 -2.213 9.185 1.00 10.00 H new ATOM 0 HG13 VAL A 120 24.035 -2.773 10.643 1.00 10.00 H new ATOM 0 HG21 VAL A 120 22.334 -4.840 9.211 1.00 10.00 H new ATOM 0 HG22 VAL A 120 21.608 -3.700 10.370 1.00 10.00 H new ATOM 0 HG23 VAL A 120 20.953 -3.831 8.720 1.00 10.00 H new ATOM 1772 N GLY A 121 20.502 -0.632 10.634 1.00 10.00 N ATOM 1773 CA GLY A 121 20.094 -0.014 11.875 1.00 10.00 C ATOM 1774 C GLY A 121 20.465 1.459 11.810 1.00 10.00 C ATOM 1775 O GLY A 121 21.177 1.969 12.676 1.00 10.00 O ATOM 0 H GLY A 121 19.755 -0.731 9.946 1.00 10.00 H new ATOM 0 HA2 GLY A 121 19.021 -0.130 12.024 1.00 10.00 H new ATOM 0 HA3 GLY A 121 20.587 -0.494 12.720 1.00 10.00 H new ATOM 1779 N GLU A 122 19.981 2.149 10.778 1.00 10.00 N ATOM 1780 CA GLU A 122 19.754 3.581 10.847 1.00 10.00 C ATOM 1781 C GLU A 122 18.256 3.777 10.963 1.00 10.00 C ATOM 1782 O GLU A 122 17.465 2.833 10.917 1.00 10.00 O ATOM 1783 CB GLU A 122 20.249 4.307 9.590 1.00 10.00 C ATOM 1784 CG GLU A 122 20.921 5.662 9.866 1.00 10.00 C ATOM 1785 CD GLU A 122 22.429 5.508 9.935 1.00 10.00 C ATOM 1786 OE1 GLU A 122 23.035 5.433 8.846 1.00 10.00 O ATOM 1787 OE2 GLU A 122 22.940 5.370 11.069 1.00 10.00 O ATOM 0 H GLU A 122 19.739 1.730 9.880 1.00 10.00 H new ATOM 0 HA GLU A 122 20.301 3.993 11.695 1.00 10.00 H new ATOM 0 HB2 GLU A 122 20.957 3.663 9.068 1.00 10.00 H new ATOM 0 HB3 GLU A 122 19.405 4.463 8.919 1.00 10.00 H new ATOM 0 HG2 GLU A 122 20.658 6.371 9.081 1.00 10.00 H new ATOM 0 HG3 GLU A 122 20.549 6.074 10.804 1.00 10.00 H new ATOM 1794 N THR A 123 17.886 5.042 11.032 1.00 10.00 N ATOM 1795 CA THR A 123 16.526 5.518 10.889 1.00 10.00 C ATOM 1796 C THR A 123 16.600 6.966 10.430 1.00 10.00 C ATOM 1797 O THR A 123 17.409 7.732 10.949 1.00 10.00 O ATOM 1798 CB THR A 123 15.712 5.328 12.184 1.00 10.00 C ATOM 1799 OG1 THR A 123 15.444 3.953 12.392 1.00 10.00 O ATOM 1800 CG2 THR A 123 14.354 6.034 12.132 1.00 10.00 C ATOM 0 H THR A 123 18.554 5.796 11.196 1.00 10.00 H new ATOM 0 HA THR A 123 15.988 4.933 10.143 1.00 10.00 H new ATOM 0 HB THR A 123 16.316 5.754 12.985 1.00 10.00 H new ATOM 0 HG1 THR A 123 16.044 3.415 11.834 1.00 10.00 H new ATOM 0 HG21 THR A 123 13.822 5.868 13.069 1.00 10.00 H new ATOM 0 HG22 THR A 123 14.505 7.103 11.985 1.00 10.00 H new ATOM 0 HG23 THR A 123 13.767 5.634 11.305 1.00 10.00 H new ATOM 1808 N VAL A 124 15.784 7.319 9.438 1.00 10.00 N ATOM 1809 CA VAL A 124 15.690 8.657 8.887 1.00 10.00 C ATOM 1810 C VAL A 124 14.204 8.997 8.815 1.00 10.00 C ATOM 1811 O VAL A 124 13.400 8.153 8.418 1.00 10.00 O ATOM 1812 CB VAL A 124 16.364 8.694 7.501 1.00 10.00 C ATOM 1813 CG1 VAL A 124 16.274 10.094 6.885 1.00 10.00 C ATOM 1814 CG2 VAL A 124 17.844 8.293 7.593 1.00 10.00 C ATOM 0 H VAL A 124 15.153 6.657 8.986 1.00 10.00 H new ATOM 0 HA VAL A 124 16.204 9.394 9.504 1.00 10.00 H new ATOM 0 HB VAL A 124 15.834 7.981 6.870 1.00 10.00 H new ATOM 0 HG11 VAL A 124 16.757 10.093 5.908 1.00 10.00 H new ATOM 0 HG12 VAL A 124 15.227 10.375 6.772 1.00 10.00 H new ATOM 0 HG13 VAL A 124 16.774 10.811 7.536 1.00 10.00 H new ATOM 0 HG21 VAL A 124 18.293 8.328 6.600 1.00 10.00 H new ATOM 0 HG22 VAL A 124 18.368 8.984 8.253 1.00 10.00 H new ATOM 0 HG23 VAL A 124 17.923 7.281 7.991 1.00 10.00 H new ATOM 1824 N ASN A 125 13.829 10.217 9.205 1.00 10.00 N ATOM 1825 CA ASN A 125 12.496 10.723 8.916 1.00 10.00 C ATOM 1826 C ASN A 125 12.493 11.187 7.467 1.00 10.00 C ATOM 1827 O ASN A 125 13.188 12.141 7.121 1.00 10.00 O ATOM 1828 CB ASN A 125 12.091 11.863 9.859 1.00 10.00 C ATOM 1829 CG ASN A 125 11.606 11.326 11.202 1.00 10.00 C ATOM 1830 OD1 ASN A 125 12.397 11.144 12.120 1.00 10.00 O ATOM 1831 ND2 ASN A 125 10.308 11.064 11.341 1.00 10.00 N ATOM 0 H ASN A 125 14.428 10.864 9.717 1.00 10.00 H new ATOM 0 HA ASN A 125 11.762 9.933 9.073 1.00 10.00 H new ATOM 0 HB2 ASN A 125 12.941 12.527 10.016 1.00 10.00 H new ATOM 0 HB3 ASN A 125 11.303 12.458 9.397 1.00 10.00 H new ATOM 0 HD21 ASN A 125 9.952 10.704 12.226 1.00 10.00 H new ATOM 0 HD22 ASN A 125 9.669 11.224 10.562 1.00 10.00 H new ATOM 1838 N ILE A 126 11.708 10.516 6.629 1.00 10.00 N ATOM 1839 CA ILE A 126 11.414 10.971 5.288 1.00 10.00 C ATOM 1840 C ILE A 126 10.306 12.015 5.380 1.00 10.00 C ATOM 1841 O ILE A 126 9.830 12.341 6.467 1.00 10.00 O ATOM 1842 CB ILE A 126 11.027 9.783 4.383 1.00 10.00 C ATOM 1843 CG1 ILE A 126 9.649 9.154 4.639 1.00 10.00 C ATOM 1844 CG2 ILE A 126 12.109 8.697 4.459 1.00 10.00 C ATOM 1845 CD1 ILE A 126 9.274 8.218 3.488 1.00 10.00 C ATOM 0 H ILE A 126 11.257 9.634 6.871 1.00 10.00 H new ATOM 0 HA ILE A 126 12.294 11.426 4.832 1.00 10.00 H new ATOM 0 HB ILE A 126 10.954 10.214 3.385 1.00 10.00 H new ATOM 0 HG12 ILE A 126 9.662 8.601 5.578 1.00 10.00 H new ATOM 0 HG13 ILE A 126 8.897 9.937 4.741 1.00 10.00 H new ATOM 0 HG21 ILE A 126 11.831 7.860 3.818 1.00 10.00 H new ATOM 0 HG22 ILE A 126 13.062 9.108 4.125 1.00 10.00 H new ATOM 0 HG23 ILE A 126 12.204 8.350 5.488 1.00 10.00 H new ATOM 0 HD11 ILE A 126 8.295 7.778 3.681 1.00 10.00 H new ATOM 0 HD12 ILE A 126 9.241 8.782 2.556 1.00 10.00 H new ATOM 0 HD13 ILE A 126 10.018 7.426 3.406 1.00 10.00 H new ATOM 1857 N THR A 127 9.860 12.545 4.246 1.00 10.00 N ATOM 1858 CA THR A 127 8.576 13.209 4.163 1.00 10.00 C ATOM 1859 C THR A 127 7.923 12.801 2.851 1.00 10.00 C ATOM 1860 O THR A 127 8.501 13.003 1.781 1.00 10.00 O ATOM 1861 CB THR A 127 8.721 14.726 4.348 1.00 10.00 C ATOM 1862 OG1 THR A 127 9.473 14.994 5.516 1.00 10.00 O ATOM 1863 CG2 THR A 127 7.351 15.395 4.505 1.00 10.00 C ATOM 0 H THR A 127 10.378 12.524 3.368 1.00 10.00 H new ATOM 0 HA THR A 127 7.920 12.898 4.976 1.00 10.00 H new ATOM 0 HB THR A 127 9.221 15.122 3.464 1.00 10.00 H new ATOM 0 HG1 THR A 127 9.565 15.963 5.631 1.00 10.00 H new ATOM 0 HG21 THR A 127 7.483 16.469 4.634 1.00 10.00 H new ATOM 0 HG22 THR A 127 6.751 15.208 3.615 1.00 10.00 H new ATOM 0 HG23 THR A 127 6.843 14.984 5.378 1.00 10.00 H new ATOM 1871 N LEU A 128 6.744 12.179 2.939 1.00 10.00 N ATOM 1872 CA LEU A 128 5.980 11.815 1.757 1.00 10.00 C ATOM 1873 C LEU A 128 5.165 13.021 1.300 1.00 10.00 C ATOM 1874 O LEU A 128 5.141 14.033 1.996 1.00 10.00 O ATOM 1875 CB LEU A 128 5.156 10.541 1.997 1.00 10.00 C ATOM 1876 CG LEU A 128 4.114 10.544 3.127 1.00 10.00 C ATOM 1877 CD1 LEU A 128 2.872 11.363 2.764 1.00 10.00 C ATOM 1878 CD2 LEU A 128 3.664 9.099 3.376 1.00 10.00 C ATOM 0 H LEU A 128 6.303 11.919 3.821 1.00 10.00 H new ATOM 0 HA LEU A 128 6.648 11.556 0.936 1.00 10.00 H new ATOM 0 HB2 LEU A 128 4.638 10.302 1.069 1.00 10.00 H new ATOM 0 HB3 LEU A 128 5.854 9.727 2.192 1.00 10.00 H new ATOM 0 HG LEU A 128 4.578 10.989 4.007 1.00 10.00 H new ATOM 0 HD11 LEU A 128 2.164 11.336 3.592 1.00 10.00 H new ATOM 0 HD12 LEU A 128 3.162 12.395 2.567 1.00 10.00 H new ATOM 0 HD13 LEU A 128 2.405 10.941 1.874 1.00 10.00 H new ATOM 0 HD21 LEU A 128 2.924 9.081 4.176 1.00 10.00 H new ATOM 0 HD22 LEU A 128 3.224 8.693 2.465 1.00 10.00 H new ATOM 0 HD23 LEU A 128 4.524 8.495 3.664 1.00 10.00 H new ATOM 1890 N LYS A 129 4.508 12.937 0.140 1.00 10.00 N ATOM 1891 CA LYS A 129 3.668 14.005 -0.371 1.00 10.00 C ATOM 1892 C LYS A 129 2.649 13.419 -1.346 1.00 10.00 C ATOM 1893 O LYS A 129 2.970 13.099 -2.486 1.00 10.00 O ATOM 1894 CB LYS A 129 4.509 15.147 -0.976 1.00 10.00 C ATOM 1895 CG LYS A 129 4.411 16.398 -0.088 1.00 10.00 C ATOM 1896 CD LYS A 129 5.355 17.512 -0.549 1.00 10.00 C ATOM 1897 CE LYS A 129 5.270 18.682 0.444 1.00 10.00 C ATOM 1898 NZ LYS A 129 6.190 19.784 0.097 1.00 10.00 N ATOM 0 H LYS A 129 4.549 12.119 -0.468 1.00 10.00 H new ATOM 0 HA LYS A 129 3.116 14.463 0.450 1.00 10.00 H new ATOM 0 HB2 LYS A 129 5.550 14.835 -1.066 1.00 10.00 H new ATOM 0 HB3 LYS A 129 4.157 15.376 -1.982 1.00 10.00 H new ATOM 0 HG2 LYS A 129 3.385 16.767 -0.096 1.00 10.00 H new ATOM 0 HG3 LYS A 129 4.645 16.129 0.942 1.00 10.00 H new ATOM 0 HD2 LYS A 129 6.378 17.140 -0.605 1.00 10.00 H new ATOM 0 HD3 LYS A 129 5.082 17.847 -1.550 1.00 10.00 H new ATOM 0 HE2 LYS A 129 4.248 19.060 0.469 1.00 10.00 H new ATOM 0 HE3 LYS A 129 5.501 18.322 1.446 1.00 10.00 H new ATOM 0 HZ1 LYS A 129 6.095 20.548 0.796 1.00 10.00 H new ATOM 0 HZ2 LYS A 129 7.169 19.433 0.099 1.00 10.00 H new ATOM 0 HZ3 LYS A 129 5.955 20.148 -0.848 1.00 10.00 H new ATOM 1912 N ALA A 130 1.406 13.275 -0.900 1.00 10.00 N ATOM 1913 CA ALA A 130 0.279 13.205 -1.815 1.00 10.00 C ATOM 1914 C ALA A 130 -0.142 14.628 -2.155 1.00 10.00 C ATOM 1915 O ALA A 130 -0.512 15.397 -1.263 1.00 10.00 O ATOM 1916 CB ALA A 130 -0.897 12.444 -1.218 1.00 10.00 C ATOM 0 H ALA A 130 1.156 13.205 0.087 1.00 10.00 H new ATOM 0 HA ALA A 130 0.586 12.663 -2.710 1.00 10.00 H new ATOM 0 HB1 ALA A 130 -1.716 12.417 -1.937 1.00 10.00 H new ATOM 0 HB2 ALA A 130 -0.589 11.426 -0.981 1.00 10.00 H new ATOM 0 HB3 ALA A 130 -1.229 12.944 -0.308 1.00 10.00 H new ATOM 1922 N THR A 131 -0.094 14.947 -3.449 1.00 10.00 N ATOM 1923 CA THR A 131 -0.553 16.205 -4.032 1.00 10.00 C ATOM 1924 C THR A 131 -1.950 16.565 -3.530 1.00 10.00 C ATOM 1925 O THR A 131 -2.258 17.733 -3.304 1.00 10.00 O ATOM 1926 CB THR A 131 -0.454 16.112 -5.569 1.00 10.00 C ATOM 1927 OG1 THR A 131 -0.870 17.313 -6.184 1.00 10.00 O ATOM 1928 CG2 THR A 131 -1.278 14.965 -6.170 1.00 10.00 C ATOM 0 H THR A 131 0.282 14.307 -4.148 1.00 10.00 H new ATOM 0 HA THR A 131 0.088 17.026 -3.711 1.00 10.00 H new ATOM 0 HB THR A 131 0.600 15.919 -5.768 1.00 10.00 H new ATOM 0 HG1 THR A 131 -0.795 17.225 -7.157 1.00 10.00 H new ATOM 0 HG21 THR A 131 -1.160 14.961 -7.254 1.00 10.00 H new ATOM 0 HG22 THR A 131 -0.930 14.015 -5.764 1.00 10.00 H new ATOM 0 HG23 THR A 131 -2.330 15.103 -5.920 1.00 10.00 H new ATOM 1936 N ASP A 132 -2.763 15.535 -3.314 1.00 10.00 N ATOM 1937 CA ASP A 132 -4.116 15.592 -2.807 1.00 10.00 C ATOM 1938 C ASP A 132 -4.199 16.376 -1.495 1.00 10.00 C ATOM 1939 O ASP A 132 -5.202 17.038 -1.237 1.00 10.00 O ATOM 1940 CB ASP A 132 -4.631 14.153 -2.617 1.00 10.00 C ATOM 1941 CG ASP A 132 -4.329 13.249 -3.807 1.00 10.00 C ATOM 1942 OD1 ASP A 132 -3.118 13.053 -4.066 1.00 10.00 O ATOM 1943 OD2 ASP A 132 -5.288 12.789 -4.460 1.00 10.00 O ATOM 0 H ASP A 132 -2.467 14.578 -3.504 1.00 10.00 H new ATOM 0 HA ASP A 132 -4.741 16.120 -3.527 1.00 10.00 H new ATOM 0 HB2 ASP A 132 -4.180 13.727 -1.721 1.00 10.00 H new ATOM 0 HB3 ASP A 132 -5.708 14.178 -2.451 1.00 10.00 H new ATOM 1948 N GLY A 133 -3.151 16.290 -0.668 1.00 10.00 N ATOM 1949 CA GLY A 133 -3.033 17.024 0.583 1.00 10.00 C ATOM 1950 C GLY A 133 -2.709 16.085 1.740 1.00 10.00 C ATOM 1951 O GLY A 133 -3.426 16.055 2.737 1.00 10.00 O ATOM 0 H GLY A 133 -2.347 15.693 -0.860 1.00 10.00 H new ATOM 0 HA2 GLY A 133 -2.252 17.779 0.493 1.00 10.00 H new ATOM 0 HA3 GLY A 133 -3.964 17.552 0.788 1.00 10.00 H new ATOM 1955 N ARG A 134 -1.611 15.332 1.629 1.00 10.00 N ATOM 1956 CA ARG A 134 -1.084 14.515 2.716 1.00 10.00 C ATOM 1957 C ARG A 134 0.436 14.621 2.639 1.00 10.00 C ATOM 1958 O ARG A 134 0.982 14.542 1.543 1.00 10.00 O ATOM 1959 CB ARG A 134 -1.587 13.073 2.558 1.00 10.00 C ATOM 1960 CG ARG A 134 -1.089 12.148 3.668 1.00 10.00 C ATOM 1961 CD ARG A 134 -1.545 10.706 3.414 1.00 10.00 C ATOM 1962 NE ARG A 134 -0.854 9.766 4.312 1.00 10.00 N ATOM 1963 CZ ARG A 134 -0.823 8.434 4.145 1.00 10.00 C ATOM 1964 NH1 ARG A 134 -1.582 7.869 3.204 1.00 10.00 N ATOM 1965 NH2 ARG A 134 -0.030 7.681 4.914 1.00 10.00 N ATOM 0 H ARG A 134 -1.061 15.275 0.772 1.00 10.00 H new ATOM 0 HA ARG A 134 -1.419 14.853 3.697 1.00 10.00 H new ATOM 0 HB2 ARG A 134 -2.677 13.072 2.552 1.00 10.00 H new ATOM 0 HB3 ARG A 134 -1.262 12.683 1.593 1.00 10.00 H new ATOM 0 HG2 ARG A 134 -0.001 12.187 3.721 1.00 10.00 H new ATOM 0 HG3 ARG A 134 -1.467 12.490 4.631 1.00 10.00 H new ATOM 0 HD2 ARG A 134 -2.622 10.630 3.562 1.00 10.00 H new ATOM 0 HD3 ARG A 134 -1.346 10.436 2.377 1.00 10.00 H new ATOM 0 HE ARG A 134 -0.364 10.154 5.118 1.00 10.00 H new ATOM 0 HH11 ARG A 134 -2.181 8.448 2.616 1.00 10.00 H new ATOM 0 HH12 ARG A 134 -1.563 6.858 3.072 1.00 10.00 H new ATOM 0 HH21 ARG A 134 0.552 8.118 5.628 1.00 10.00 H new ATOM 0 HH22 ARG A 134 -0.007 6.669 4.786 1.00 10.00 H new ATOM 1979 N THR A 135 1.121 14.848 3.765 1.00 10.00 N ATOM 1980 CA THR A 135 2.531 15.223 3.767 1.00 10.00 C ATOM 1981 C THR A 135 3.191 14.848 5.099 1.00 10.00 C ATOM 1982 O THR A 135 3.713 15.708 5.806 1.00 10.00 O ATOM 1983 CB THR A 135 2.671 16.712 3.389 1.00 10.00 C ATOM 1984 OG1 THR A 135 4.013 17.141 3.493 1.00 10.00 O ATOM 1985 CG2 THR A 135 1.783 17.646 4.222 1.00 10.00 C ATOM 0 H THR A 135 0.711 14.776 4.696 1.00 10.00 H new ATOM 0 HA THR A 135 3.073 14.658 3.009 1.00 10.00 H new ATOM 0 HB THR A 135 2.334 16.776 2.354 1.00 10.00 H new ATOM 0 HG1 THR A 135 4.385 16.846 4.350 1.00 10.00 H new ATOM 0 HG21 THR A 135 1.935 18.676 3.900 1.00 10.00 H new ATOM 0 HG22 THR A 135 0.737 17.373 4.083 1.00 10.00 H new ATOM 0 HG23 THR A 135 2.045 17.553 5.276 1.00 10.00 H new ATOM 1993 N LEU A 136 3.171 13.557 5.438 1.00 10.00 N ATOM 1994 CA LEU A 136 3.658 13.065 6.722 1.00 10.00 C ATOM 1995 C LEU A 136 5.175 12.887 6.669 1.00 10.00 C ATOM 1996 O LEU A 136 5.734 12.559 5.623 1.00 10.00 O ATOM 1997 CB LEU A 136 2.994 11.730 7.085 1.00 10.00 C ATOM 1998 CG LEU A 136 1.601 11.857 7.721 1.00 10.00 C ATOM 1999 CD1 LEU A 136 0.598 12.551 6.798 1.00 10.00 C ATOM 2000 CD2 LEU A 136 1.085 10.455 8.067 1.00 10.00 C ATOM 0 H LEU A 136 2.815 12.824 4.825 1.00 10.00 H new ATOM 0 HA LEU A 136 3.403 13.798 7.488 1.00 10.00 H new ATOM 0 HB2 LEU A 136 2.913 11.123 6.183 1.00 10.00 H new ATOM 0 HB3 LEU A 136 3.645 11.192 7.774 1.00 10.00 H new ATOM 0 HG LEU A 136 1.698 12.471 8.616 1.00 10.00 H new ATOM 0 HD11 LEU A 136 -0.370 12.615 7.295 1.00 10.00 H new ATOM 0 HD12 LEU A 136 0.953 13.555 6.564 1.00 10.00 H new ATOM 0 HD13 LEU A 136 0.495 11.978 5.876 1.00 10.00 H new ATOM 0 HD21 LEU A 136 0.096 10.533 8.519 1.00 10.00 H new ATOM 0 HD22 LEU A 136 1.022 9.856 7.159 1.00 10.00 H new ATOM 0 HD23 LEU A 136 1.769 9.979 8.769 1.00 10.00 H new ATOM 2012 N ASN A 137 5.816 13.078 7.824 1.00 10.00 N ATOM 2013 CA ASN A 137 7.253 13.083 8.055 1.00 10.00 C ATOM 2014 C ASN A 137 7.666 11.692 8.531 1.00 10.00 C ATOM 2015 O ASN A 137 8.060 11.493 9.680 1.00 10.00 O ATOM 2016 CB ASN A 137 7.620 14.172 9.078 1.00 10.00 C ATOM 2017 CG ASN A 137 6.930 13.990 10.432 1.00 10.00 C ATOM 2018 OD1 ASN A 137 5.759 13.621 10.493 1.00 10.00 O ATOM 2019 ND2 ASN A 137 7.634 14.260 11.528 1.00 10.00 N ATOM 0 H ASN A 137 5.298 13.246 8.687 1.00 10.00 H new ATOM 0 HA ASN A 137 7.791 13.315 7.136 1.00 10.00 H new ATOM 0 HB2 ASN A 137 8.700 14.172 9.226 1.00 10.00 H new ATOM 0 HB3 ASN A 137 7.354 15.147 8.671 1.00 10.00 H new ATOM 0 HD21 ASN A 137 7.204 14.162 12.448 1.00 10.00 H new ATOM 0 HD22 ASN A 137 8.604 14.564 11.449 1.00 10.00 H new ATOM 2026 N VAL A 138 7.528 10.704 7.653 1.00 10.00 N ATOM 2027 CA VAL A 138 7.365 9.321 8.072 1.00 10.00 C ATOM 2028 C VAL A 138 8.723 8.738 8.463 1.00 10.00 C ATOM 2029 O VAL A 138 9.743 9.102 7.892 1.00 10.00 O ATOM 2030 CB VAL A 138 6.712 8.560 6.906 1.00 10.00 C ATOM 2031 CG1 VAL A 138 6.824 7.033 7.030 1.00 10.00 C ATOM 2032 CG2 VAL A 138 5.232 8.938 6.794 1.00 10.00 C ATOM 0 H VAL A 138 7.526 10.839 6.642 1.00 10.00 H new ATOM 0 HA VAL A 138 6.725 9.238 8.950 1.00 10.00 H new ATOM 0 HB VAL A 138 7.260 8.855 6.011 1.00 10.00 H new ATOM 0 HG11 VAL A 138 6.342 6.562 6.173 1.00 10.00 H new ATOM 0 HG12 VAL A 138 7.875 6.746 7.058 1.00 10.00 H new ATOM 0 HG13 VAL A 138 6.334 6.706 7.947 1.00 10.00 H new ATOM 0 HG21 VAL A 138 4.779 8.394 5.965 1.00 10.00 H new ATOM 0 HG22 VAL A 138 4.719 8.680 7.721 1.00 10.00 H new ATOM 0 HG23 VAL A 138 5.143 10.010 6.616 1.00 10.00 H new ATOM 2042 N ALA A 139 8.751 7.832 9.440 1.00 10.00 N ATOM 2043 CA ALA A 139 9.990 7.206 9.872 1.00 10.00 C ATOM 2044 C ALA A 139 10.319 6.045 8.937 1.00 10.00 C ATOM 2045 O ALA A 139 9.454 5.209 8.665 1.00 10.00 O ATOM 2046 CB ALA A 139 9.850 6.726 11.318 1.00 10.00 C ATOM 0 H ALA A 139 7.923 7.517 9.946 1.00 10.00 H new ATOM 0 HA ALA A 139 10.806 7.927 9.832 1.00 10.00 H new ATOM 0 HB1 ALA A 139 10.781 6.257 11.638 1.00 10.00 H new ATOM 0 HB2 ALA A 139 9.631 7.576 11.964 1.00 10.00 H new ATOM 0 HB3 ALA A 139 9.038 6.002 11.384 1.00 10.00 H new ATOM 2052 N ALA A 140 11.563 6.014 8.452 1.00 10.00 N ATOM 2053 CA ALA A 140 12.125 4.926 7.676 1.00 10.00 C ATOM 2054 C ALA A 140 13.331 4.353 8.406 1.00 10.00 C ATOM 2055 O ALA A 140 14.336 5.045 8.546 1.00 10.00 O ATOM 2056 CB ALA A 140 12.555 5.426 6.304 1.00 10.00 C ATOM 0 H ALA A 140 12.223 6.777 8.599 1.00 10.00 H new ATOM 0 HA ALA A 140 11.368 4.152 7.551 1.00 10.00 H new ATOM 0 HB1 ALA A 140 12.975 4.600 5.731 1.00 10.00 H new ATOM 0 HB2 ALA A 140 11.691 5.831 5.777 1.00 10.00 H new ATOM 0 HB3 ALA A 140 13.307 6.206 6.420 1.00 10.00 H new ATOM 2062 N THR A 141 13.244 3.097 8.840 1.00 10.00 N ATOM 2063 CA THR A 141 14.370 2.374 9.428 1.00 10.00 C ATOM 2064 C THR A 141 15.206 1.767 8.301 1.00 10.00 C ATOM 2065 O THR A 141 14.639 1.148 7.399 1.00 10.00 O ATOM 2066 CB THR A 141 13.849 1.305 10.395 1.00 10.00 C ATOM 2067 OG1 THR A 141 12.993 1.911 11.339 1.00 10.00 O ATOM 2068 CG2 THR A 141 14.977 0.604 11.158 1.00 10.00 C ATOM 0 H THR A 141 12.385 2.549 8.793 1.00 10.00 H new ATOM 0 HA THR A 141 15.005 3.050 10.001 1.00 10.00 H new ATOM 0 HB THR A 141 13.325 0.559 9.797 1.00 10.00 H new ATOM 0 HG1 THR A 141 12.656 1.231 11.959 1.00 10.00 H new ATOM 0 HG21 THR A 141 14.553 -0.143 11.829 1.00 10.00 H new ATOM 0 HG22 THR A 141 15.648 0.117 10.450 1.00 10.00 H new ATOM 0 HG23 THR A 141 15.534 1.339 11.739 1.00 10.00 H new ATOM 2076 N VAL A 142 16.535 1.917 8.327 1.00 10.00 N ATOM 2077 CA VAL A 142 17.371 1.416 7.253 1.00 10.00 C ATOM 2078 C VAL A 142 17.984 0.136 7.786 1.00 10.00 C ATOM 2079 O VAL A 142 18.604 0.195 8.845 1.00 10.00 O ATOM 2080 CB VAL A 142 18.453 2.425 6.854 1.00 10.00 C ATOM 2081 CG1 VAL A 142 19.098 1.914 5.565 1.00 10.00 C ATOM 2082 CG2 VAL A 142 17.893 3.829 6.610 1.00 10.00 C ATOM 0 H VAL A 142 17.044 2.380 9.080 1.00 10.00 H new ATOM 0 HA VAL A 142 16.790 1.242 6.348 1.00 10.00 H new ATOM 0 HB VAL A 142 19.169 2.508 7.671 1.00 10.00 H new ATOM 0 HG11 VAL A 142 19.876 2.608 5.248 1.00 10.00 H new ATOM 0 HG12 VAL A 142 19.537 0.932 5.742 1.00 10.00 H new ATOM 0 HG13 VAL A 142 18.341 1.837 4.785 1.00 10.00 H new ATOM 0 HG21 VAL A 142 18.705 4.501 6.331 1.00 10.00 H new ATOM 0 HG22 VAL A 142 17.158 3.793 5.805 1.00 10.00 H new ATOM 0 HG23 VAL A 142 17.417 4.194 7.520 1.00 10.00 H new ATOM 2092 N LYS A 143 17.751 -1.012 7.143 1.00 10.00 N ATOM 2093 CA LYS A 143 18.255 -2.286 7.636 1.00 10.00 C ATOM 2094 C LYS A 143 18.310 -3.359 6.536 1.00 10.00 C ATOM 2095 O LYS A 143 17.325 -4.054 6.305 1.00 10.00 O ATOM 2096 CB LYS A 143 17.446 -2.733 8.872 1.00 10.00 C ATOM 2097 CG LYS A 143 15.921 -2.644 8.689 1.00 10.00 C ATOM 2098 CD LYS A 143 15.202 -3.001 9.997 1.00 10.00 C ATOM 2099 CE LYS A 143 13.681 -2.988 9.777 1.00 10.00 C ATOM 2100 NZ LYS A 143 12.930 -3.296 11.013 1.00 10.00 N ATOM 0 H LYS A 143 17.215 -1.079 6.278 1.00 10.00 H new ATOM 0 HA LYS A 143 19.290 -2.147 7.950 1.00 10.00 H new ATOM 0 HB2 LYS A 143 17.713 -3.761 9.115 1.00 10.00 H new ATOM 0 HB3 LYS A 143 17.736 -2.118 9.724 1.00 10.00 H new ATOM 0 HG2 LYS A 143 15.644 -1.637 8.378 1.00 10.00 H new ATOM 0 HG3 LYS A 143 15.604 -3.321 7.896 1.00 10.00 H new ATOM 0 HD2 LYS A 143 15.520 -3.985 10.340 1.00 10.00 H new ATOM 0 HD3 LYS A 143 15.472 -2.289 10.777 1.00 10.00 H new ATOM 0 HE2 LYS A 143 13.379 -2.009 9.406 1.00 10.00 H new ATOM 0 HE3 LYS A 143 13.422 -3.715 9.007 1.00 10.00 H new ATOM 0 HZ1 LYS A 143 11.910 -3.275 10.813 1.00 10.00 H new ATOM 0 HZ2 LYS A 143 13.197 -4.241 11.355 1.00 10.00 H new ATOM 0 HZ3 LYS A 143 13.155 -2.588 11.741 1.00 10.00 H new ATOM 2114 N LYS A 144 19.458 -3.529 5.869 1.00 10.00 N ATOM 2115 CA LYS A 144 19.597 -4.540 4.820 1.00 10.00 C ATOM 2116 C LYS A 144 19.492 -5.973 5.349 1.00 10.00 C ATOM 2117 O LYS A 144 18.915 -6.838 4.690 1.00 10.00 O ATOM 2118 CB LYS A 144 20.883 -4.321 4.012 1.00 10.00 C ATOM 2119 CG LYS A 144 22.199 -4.572 4.763 1.00 10.00 C ATOM 2120 CD LYS A 144 23.392 -3.912 4.050 1.00 10.00 C ATOM 2121 CE LYS A 144 23.679 -4.536 2.674 1.00 10.00 C ATOM 2122 NZ LYS A 144 24.630 -3.731 1.879 1.00 10.00 N ATOM 0 H LYS A 144 20.301 -2.980 6.038 1.00 10.00 H new ATOM 0 HA LYS A 144 18.749 -4.411 4.147 1.00 10.00 H new ATOM 0 HB2 LYS A 144 20.856 -4.973 3.139 1.00 10.00 H new ATOM 0 HB3 LYS A 144 20.887 -3.295 3.644 1.00 10.00 H new ATOM 0 HG2 LYS A 144 22.120 -4.182 5.778 1.00 10.00 H new ATOM 0 HG3 LYS A 144 22.372 -5.645 4.846 1.00 10.00 H new ATOM 0 HD2 LYS A 144 23.193 -2.847 3.927 1.00 10.00 H new ATOM 0 HD3 LYS A 144 24.279 -4.001 4.677 1.00 10.00 H new ATOM 0 HE2 LYS A 144 24.081 -5.540 2.810 1.00 10.00 H new ATOM 0 HE3 LYS A 144 22.744 -4.639 2.123 1.00 10.00 H new ATOM 0 HZ1 LYS A 144 24.123 -3.263 1.101 1.00 10.00 H new ATOM 0 HZ2 LYS A 144 25.069 -3.011 2.488 1.00 10.00 H new ATOM 0 HZ3 LYS A 144 25.368 -4.351 1.488 1.00 10.00 H new