USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 720 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 30 SER OG : rot 28:sc= -3.44! USER MOD Set 1.2: A 100 MET CE :methyl -145:sc= -2.45 (180deg=-6.54!) USER MOD Set 1.3: A 105 ASN : amide:sc= -3.97! C(o=-9.9!,f=-9.6!) USER MOD Set 2.1: A 53 ASN :FLIP amide:sc= -4.39! C(o=-6.4!,f=-5.5!) USER MOD Set 2.2: A 103 TYR OH : rot 159:sc= -1.16 USER MOD Set 3.1: A 23 MET CE :methyl 161:sc= -0.57 (180deg=-1.28) USER MOD Set 3.2: A 126 THR OG1 : rot 176:sc= 1.01 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.1) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -5.53! C(o=-5.5!,f=-7!) USER MOD Single : A 63 ASN : amide:sc=-0.000804 K(o=-0.0008,f=-0.89) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 2.33 (180deg=2.28) USER MOD Single : A 76 LYS NZ :NH3+ -131:sc= 1.07 (180deg=-1.16) USER MOD Single : A 77 THR OG1 : rot -170:sc= 1.59 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 149:sc= 0.477 (180deg=0.101) USER MOD Single : A 93 LYS NZ :NH3+ -107:sc= 0.131 (180deg=-0.857!) USER MOD Single : A 95 MET CE :methyl -112:sc= -0.468 (180deg=-5.55!) USER MOD Single : A 106 MET CE :methyl -122:sc= -0.152 (180deg=-0.632) USER MOD Single : A 124 LYS NZ :NH3+ -154:sc= 1.26 (180deg=0.857) USER MOD Single : A 129 LYS NZ :NH3+ 135:sc= 2.28 (180deg=-0.152) USER MOD Single : A 130 THR OG1 : rot 155:sc= 0.397 USER MOD Single : A 133 LYS NZ :NH3+ -172:sc=-0.00618 (180deg=-0.128) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 10.350 1.457 9.243 1.00 61.44 N ATOM 342 CA MET A 23 9.729 1.857 7.977 1.00 1.33 C ATOM 343 C MET A 23 10.723 2.527 7.023 1.00 65.35 C ATOM 344 O MET A 23 11.731 3.104 7.440 1.00 62.52 O ATOM 345 CB MET A 23 8.547 2.796 8.232 1.00 54.45 C ATOM 346 CG MET A 23 8.885 3.993 9.110 1.00 22.24 C ATOM 347 SD MET A 23 7.490 5.118 9.309 1.00 10.03 S ATOM 348 CE MET A 23 6.188 3.955 9.704 1.00 51.02 C ATOM 0 HA MET A 23 9.376 0.944 7.498 1.00 1.33 H new ATOM 0 HB2 MET A 23 8.169 3.156 7.275 1.00 54.45 H new ATOM 0 HB3 MET A 23 7.742 2.231 8.701 1.00 54.45 H new ATOM 0 HG2 MET A 23 9.207 3.641 10.090 1.00 22.24 H new ATOM 0 HG3 MET A 23 9.725 4.534 8.674 1.00 22.24 H new ATOM 0 HE1 MET A 23 5.361 4.482 10.179 1.00 51.02 H new ATOM 0 HE2 MET A 23 5.837 3.478 8.789 1.00 51.02 H new ATOM 0 HE3 MET A 23 6.573 3.195 10.385 1.00 51.02 H new ATOM 358 N LEU A 24 10.419 2.440 5.736 1.00 11.31 N ATOM 359 CA LEU A 24 11.212 3.098 4.692 1.00 2.55 C ATOM 360 C LEU A 24 10.510 4.360 4.190 1.00 73.50 C ATOM 361 O LEU A 24 9.314 4.343 3.889 1.00 14.23 O ATOM 362 CB LEU A 24 11.469 2.128 3.525 1.00 22.15 C ATOM 363 CG LEU A 24 12.693 1.211 3.695 1.00 63.03 C ATOM 364 CD1 LEU A 24 12.559 -0.035 2.832 1.00 24.23 C ATOM 365 CD2 LEU A 24 13.979 1.956 3.338 1.00 30.34 C ATOM 0 H LEU A 24 9.620 1.915 5.381 1.00 11.31 H new ATOM 0 HA LEU A 24 12.170 3.389 5.123 1.00 2.55 H new ATOM 0 HB2 LEU A 24 10.585 1.506 3.389 1.00 22.15 H new ATOM 0 HB3 LEU A 24 11.594 2.709 2.611 1.00 22.15 H new ATOM 0 HG LEU A 24 12.741 0.908 4.741 1.00 63.03 H new ATOM 0 HD11 LEU A 24 13.436 -0.668 2.969 1.00 24.23 H new ATOM 0 HD12 LEU A 24 11.665 -0.585 3.124 1.00 24.23 H new ATOM 0 HD13 LEU A 24 12.480 0.255 1.784 1.00 24.23 H new ATOM 0 HD21 LEU A 24 14.832 1.290 3.465 1.00 30.34 H new ATOM 0 HD22 LEU A 24 13.930 2.290 2.302 1.00 30.34 H new ATOM 0 HD23 LEU A 24 14.093 2.820 3.993 1.00 30.34 H new ATOM 377 N GLU A 25 11.256 5.455 4.114 1.00 74.13 N ATOM 378 CA GLU A 25 10.717 6.718 3.615 1.00 5.14 C ATOM 379 C GLU A 25 10.631 6.717 2.093 1.00 23.40 C ATOM 380 O GLU A 25 11.634 6.817 1.380 1.00 62.41 O ATOM 381 CB GLU A 25 11.543 7.893 4.136 1.00 25.41 C ATOM 382 CG GLU A 25 11.172 8.249 5.566 1.00 2.22 C ATOM 383 CD GLU A 25 12.252 9.038 6.289 1.00 43.43 C ATOM 384 OE1 GLU A 25 13.199 8.413 6.813 1.00 71.04 O ATOM 385 OE2 GLU A 25 12.156 10.281 6.341 1.00 4.31 O ATOM 0 H GLU A 25 12.237 5.496 4.391 1.00 74.13 H new ATOM 0 HA GLU A 25 9.700 6.832 3.991 1.00 5.14 H new ATOM 0 HB2 GLU A 25 12.603 7.644 4.086 1.00 25.41 H new ATOM 0 HB3 GLU A 25 11.389 8.760 3.493 1.00 25.41 H new ATOM 0 HG2 GLU A 25 10.250 8.830 5.561 1.00 2.22 H new ATOM 0 HG3 GLU A 25 10.969 7.333 6.120 1.00 2.22 H new ATOM 392 N VAL A 26 9.404 6.608 1.616 1.00 73.23 N ATOM 393 CA VAL A 26 9.123 6.390 0.192 1.00 65.42 C ATOM 394 C VAL A 26 8.035 7.339 -0.330 1.00 42.34 C ATOM 395 O VAL A 26 7.348 7.997 0.444 1.00 41.31 O ATOM 396 CB VAL A 26 8.664 4.928 -0.072 1.00 2.02 C ATOM 397 CG1 VAL A 26 9.738 3.925 0.352 1.00 64.12 C ATOM 398 CG2 VAL A 26 7.342 4.639 0.643 1.00 3.33 C ATOM 0 H VAL A 26 8.568 6.667 2.198 1.00 73.23 H new ATOM 0 HA VAL A 26 10.055 6.589 -0.336 1.00 65.42 H new ATOM 0 HB VAL A 26 8.507 4.816 -1.145 1.00 2.02 H new ATOM 0 HG11 VAL A 26 9.388 2.912 0.155 1.00 64.12 H new ATOM 0 HG12 VAL A 26 10.652 4.109 -0.213 1.00 64.12 H new ATOM 0 HG13 VAL A 26 9.941 4.038 1.417 1.00 64.12 H new ATOM 0 HG21 VAL A 26 7.039 3.611 0.445 1.00 3.33 H new ATOM 0 HG22 VAL A 26 7.471 4.779 1.716 1.00 3.33 H new ATOM 0 HG23 VAL A 26 6.574 5.321 0.277 1.00 3.33 H new ATOM 408 N GLU A 27 7.892 7.417 -1.650 1.00 2.30 N ATOM 409 CA GLU A 27 6.765 8.146 -2.249 1.00 3.40 C ATOM 410 C GLU A 27 5.690 7.169 -2.764 1.00 30.51 C ATOM 411 O GLU A 27 5.966 6.295 -3.586 1.00 43.34 O ATOM 412 CB GLU A 27 7.243 9.072 -3.378 1.00 34.41 C ATOM 413 CG GLU A 27 6.148 10.001 -3.901 1.00 23.54 C ATOM 414 CD GLU A 27 6.675 11.084 -4.831 1.00 34.13 C ATOM 415 OE1 GLU A 27 7.184 12.109 -4.333 1.00 75.11 O ATOM 416 OE2 GLU A 27 6.593 10.917 -6.059 1.00 21.44 O ATOM 0 H GLU A 27 8.530 6.992 -2.323 1.00 2.30 H new ATOM 0 HA GLU A 27 6.318 8.766 -1.472 1.00 3.40 H new ATOM 0 HB2 GLU A 27 8.078 9.673 -3.017 1.00 34.41 H new ATOM 0 HB3 GLU A 27 7.619 8.465 -4.202 1.00 34.41 H new ATOM 0 HG2 GLU A 27 5.400 9.409 -4.429 1.00 23.54 H new ATOM 0 HG3 GLU A 27 5.644 10.470 -3.056 1.00 23.54 H new ATOM 423 N VAL A 28 4.466 7.335 -2.266 1.00 24.14 N ATOM 424 CA VAL A 28 3.346 6.429 -2.565 1.00 50.12 C ATOM 425 C VAL A 28 2.507 6.933 -3.753 1.00 4.12 C ATOM 426 O VAL A 28 1.848 7.969 -3.665 1.00 54.31 O ATOM 427 CB VAL A 28 2.422 6.285 -1.329 1.00 63.13 C ATOM 428 CG1 VAL A 28 1.336 5.244 -1.577 1.00 23.42 C ATOM 429 CG2 VAL A 28 3.236 5.951 -0.078 1.00 45.22 C ATOM 0 H VAL A 28 4.217 8.102 -1.642 1.00 24.14 H new ATOM 0 HA VAL A 28 3.778 5.463 -2.825 1.00 50.12 H new ATOM 0 HB VAL A 28 1.929 7.242 -1.161 1.00 63.13 H new ATOM 0 HG11 VAL A 28 0.702 5.163 -0.694 1.00 23.42 H new ATOM 0 HG12 VAL A 28 0.731 5.546 -2.432 1.00 23.42 H new ATOM 0 HG13 VAL A 28 1.798 4.278 -1.782 1.00 23.42 H new ATOM 0 HG21 VAL A 28 2.566 5.855 0.777 1.00 45.22 H new ATOM 0 HG22 VAL A 28 3.768 5.012 -0.230 1.00 45.22 H new ATOM 0 HG23 VAL A 28 3.955 6.748 0.112 1.00 45.22 H new ATOM 439 N ILE A 29 2.516 6.194 -4.858 1.00 13.20 N ATOM 440 CA ILE A 29 1.812 6.622 -6.076 1.00 15.32 C ATOM 441 C ILE A 29 0.442 5.941 -6.226 1.00 41.04 C ATOM 442 O ILE A 29 0.176 4.912 -5.607 1.00 54.20 O ATOM 443 CB ILE A 29 2.650 6.320 -7.341 1.00 64.41 C ATOM 444 CG1 ILE A 29 4.148 6.474 -7.047 1.00 3.33 C ATOM 445 CG2 ILE A 29 2.232 7.256 -8.476 1.00 45.20 C ATOM 446 CD1 ILE A 29 5.037 6.065 -8.199 1.00 65.55 C ATOM 0 H ILE A 29 2.999 5.299 -4.942 1.00 13.20 H new ATOM 0 HA ILE A 29 1.663 7.697 -5.975 1.00 15.32 H new ATOM 0 HB ILE A 29 2.467 5.289 -7.644 1.00 64.41 H new ATOM 0 HG12 ILE A 29 4.354 7.513 -6.791 1.00 3.33 H new ATOM 0 HG13 ILE A 29 4.402 5.874 -6.173 1.00 3.33 H new ATOM 0 HG21 ILE A 29 2.825 7.039 -9.364 1.00 45.20 H new ATOM 0 HG22 ILE A 29 1.176 7.107 -8.700 1.00 45.20 H new ATOM 0 HG23 ILE A 29 2.396 8.290 -8.174 1.00 45.20 H new ATOM 0 HD11 ILE A 29 6.082 6.201 -7.919 1.00 65.55 H new ATOM 0 HD12 ILE A 29 4.860 5.017 -8.441 1.00 65.55 H new ATOM 0 HD13 ILE A 29 4.812 6.682 -9.069 1.00 65.55 H new ATOM 458 N SER A 30 -0.421 6.527 -7.062 1.00 12.14 N ATOM 459 CA SER A 30 -1.722 5.930 -7.404 1.00 12.34 C ATOM 460 C SER A 30 -1.905 5.850 -8.927 1.00 10.41 C ATOM 461 O SER A 30 -2.140 6.861 -9.589 1.00 15.11 O ATOM 462 CB SER A 30 -2.870 6.730 -6.771 1.00 44.32 C ATOM 463 OG SER A 30 -2.828 6.643 -5.357 1.00 62.53 O ATOM 0 H SER A 30 -0.242 7.421 -7.519 1.00 12.14 H new ATOM 0 HA SER A 30 -1.742 4.917 -7.002 1.00 12.34 H new ATOM 0 HB2 SER A 30 -2.803 7.774 -7.077 1.00 44.32 H new ATOM 0 HB3 SER A 30 -3.826 6.352 -7.134 1.00 44.32 H new ATOM 0 HG SER A 30 -1.904 6.499 -5.065 1.00 62.53 H new ATOM 469 N GLY A 31 -1.786 4.641 -9.478 1.00 32.20 N ATOM 470 CA GLY A 31 -1.866 4.458 -10.928 1.00 54.13 C ATOM 471 C GLY A 31 -3.154 3.782 -11.388 1.00 35.20 C ATOM 472 O GLY A 31 -3.592 2.790 -10.801 1.00 73.25 O ATOM 0 H GLY A 31 -1.635 3.782 -8.949 1.00 32.20 H new ATOM 0 HA2 GLY A 31 -1.782 5.430 -11.414 1.00 54.13 H new ATOM 0 HA3 GLY A 31 -1.015 3.862 -11.258 1.00 54.13 H new ATOM 711 N GLU A 47 -13.102 -7.868 -8.954 1.00 42.21 N ATOM 712 CA GLU A 47 -12.432 -6.927 -9.867 1.00 43.03 C ATOM 713 C GLU A 47 -11.732 -5.798 -9.093 1.00 21.34 C ATOM 714 O GLU A 47 -10.618 -5.398 -9.431 1.00 13.44 O ATOM 715 CB GLU A 47 -13.446 -6.328 -10.858 1.00 55.15 C ATOM 716 CG GLU A 47 -12.841 -5.320 -11.838 1.00 30.32 C ATOM 717 CD GLU A 47 -13.872 -4.720 -12.787 1.00 70.53 C ATOM 718 OE1 GLU A 47 -14.482 -3.690 -12.438 1.00 31.14 O ATOM 719 OE2 GLU A 47 -14.076 -5.275 -13.888 1.00 74.21 O ATOM 0 HA GLU A 47 -11.675 -7.484 -10.419 1.00 43.03 H new ATOM 0 HB2 GLU A 47 -13.906 -7.138 -11.424 1.00 55.15 H new ATOM 0 HB3 GLU A 47 -14.242 -5.839 -10.296 1.00 55.15 H new ATOM 0 HG2 GLU A 47 -12.362 -4.518 -11.276 1.00 30.32 H new ATOM 0 HG3 GLU A 47 -12.061 -5.811 -12.420 1.00 30.32 H new ATOM 726 N TYR A 48 -12.388 -5.288 -8.051 1.00 53.11 N ATOM 727 CA TYR A 48 -11.818 -4.218 -7.222 1.00 51.43 C ATOM 728 C TYR A 48 -10.737 -4.760 -6.271 1.00 4.02 C ATOM 729 O TYR A 48 -9.873 -4.019 -5.807 1.00 21.13 O ATOM 730 CB TYR A 48 -12.928 -3.508 -6.423 1.00 54.55 C ATOM 731 CG TYR A 48 -12.902 -1.994 -6.565 1.00 54.41 C ATOM 732 CD1 TYR A 48 -13.421 -1.386 -7.700 1.00 51.40 C ATOM 733 CD2 TYR A 48 -12.352 -1.178 -5.583 1.00 3.44 C ATOM 734 CE1 TYR A 48 -13.399 -0.013 -7.854 1.00 73.02 C ATOM 735 CE2 TYR A 48 -12.324 0.196 -5.734 1.00 64.23 C ATOM 736 CZ TYR A 48 -12.848 0.773 -6.870 1.00 53.15 C ATOM 737 OH TYR A 48 -12.822 2.144 -7.018 1.00 34.22 O ATOM 0 H TYR A 48 -13.315 -5.596 -7.758 1.00 53.11 H new ATOM 0 HA TYR A 48 -11.346 -3.496 -7.888 1.00 51.43 H new ATOM 0 HB2 TYR A 48 -13.898 -3.880 -6.754 1.00 54.55 H new ATOM 0 HB3 TYR A 48 -12.830 -3.768 -5.369 1.00 54.55 H new ATOM 0 HD1 TYR A 48 -13.851 -1.999 -8.479 1.00 51.40 H new ATOM 0 HD2 TYR A 48 -11.941 -1.624 -4.689 1.00 3.44 H new ATOM 0 HE1 TYR A 48 -13.813 0.440 -8.743 1.00 73.02 H new ATOM 0 HE2 TYR A 48 -11.892 0.816 -4.963 1.00 64.23 H new ATOM 0 HH TYR A 48 -12.400 2.550 -6.232 1.00 34.22 H new ATOM 747 N PHE A 49 -10.798 -6.054 -5.978 1.00 72.52 N ATOM 748 CA PHE A 49 -9.845 -6.684 -5.063 1.00 21.00 C ATOM 749 C PHE A 49 -8.474 -6.882 -5.739 1.00 21.12 C ATOM 750 O PHE A 49 -7.500 -6.196 -5.425 1.00 44.42 O ATOM 751 CB PHE A 49 -10.404 -8.032 -4.570 1.00 74.11 C ATOM 752 CG PHE A 49 -9.643 -8.639 -3.415 1.00 5.22 C ATOM 753 CD1 PHE A 49 -8.532 -9.443 -3.637 1.00 35.33 C ATOM 754 CD2 PHE A 49 -10.040 -8.405 -2.104 1.00 73.21 C ATOM 755 CE1 PHE A 49 -7.835 -9.998 -2.579 1.00 23.02 C ATOM 756 CE2 PHE A 49 -9.345 -8.961 -1.042 1.00 65.45 C ATOM 757 CZ PHE A 49 -8.242 -9.757 -1.281 1.00 14.20 C ATOM 0 H PHE A 49 -11.497 -6.691 -6.360 1.00 72.52 H new ATOM 0 HA PHE A 49 -9.702 -6.024 -4.207 1.00 21.00 H new ATOM 0 HB2 PHE A 49 -11.443 -7.893 -4.271 1.00 74.11 H new ATOM 0 HB3 PHE A 49 -10.403 -8.738 -5.401 1.00 74.11 H new ATOM 0 HD1 PHE A 49 -8.208 -9.637 -4.649 1.00 35.33 H new ATOM 0 HD2 PHE A 49 -10.901 -7.782 -1.910 1.00 73.21 H new ATOM 0 HE1 PHE A 49 -6.972 -10.620 -2.768 1.00 23.02 H new ATOM 0 HE2 PHE A 49 -9.666 -8.772 -0.028 1.00 65.45 H new ATOM 0 HZ PHE A 49 -7.698 -10.190 -0.454 1.00 14.20 H new ATOM 767 N ASN A 50 -8.416 -7.787 -6.706 1.00 12.30 N ATOM 768 CA ASN A 50 -7.148 -8.147 -7.360 1.00 42.31 C ATOM 769 C ASN A 50 -6.508 -6.966 -8.125 1.00 52.55 C ATOM 770 O ASN A 50 -5.370 -7.064 -8.585 1.00 35.15 O ATOM 771 CB ASN A 50 -7.381 -9.324 -8.311 1.00 72.32 C ATOM 772 CG ASN A 50 -7.874 -10.561 -7.582 1.00 34.41 C ATOM 773 OD1 ASN A 50 -7.502 -10.820 -6.441 1.00 64.32 O ATOM 774 ND2 ASN A 50 -8.741 -11.320 -8.217 1.00 33.24 N ATOM 0 H ASN A 50 -9.229 -8.291 -7.061 1.00 12.30 H new ATOM 0 HA ASN A 50 -6.446 -8.428 -6.574 1.00 42.31 H new ATOM 0 HB2 ASN A 50 -8.109 -9.037 -9.070 1.00 72.32 H new ATOM 0 HB3 ASN A 50 -6.452 -9.557 -8.832 1.00 72.32 H new ATOM 0 HD21 ASN A 50 -9.123 -12.149 -7.762 1.00 33.24 H new ATOM 0 HD22 ASN A 50 -9.031 -11.079 -9.165 1.00 33.24 H new ATOM 781 N ALA A 51 -7.234 -5.853 -8.245 1.00 23.21 N ATOM 782 CA ALA A 51 -6.758 -4.695 -9.017 1.00 4.42 C ATOM 783 C ALA A 51 -6.012 -3.650 -8.166 1.00 60.51 C ATOM 784 O ALA A 51 -5.077 -3.013 -8.657 1.00 22.50 O ATOM 785 CB ALA A 51 -7.931 -4.036 -9.734 1.00 31.13 C ATOM 0 H ALA A 51 -8.152 -5.725 -7.820 1.00 23.21 H new ATOM 0 HA ALA A 51 -6.036 -5.079 -9.737 1.00 4.42 H new ATOM 0 HB1 ALA A 51 -7.574 -3.179 -10.304 1.00 31.13 H new ATOM 0 HB2 ALA A 51 -8.394 -4.754 -10.410 1.00 31.13 H new ATOM 0 HB3 ALA A 51 -8.665 -3.703 -9.000 1.00 31.13 H new ATOM 791 N VAL A 52 -6.421 -3.458 -6.904 1.00 11.11 N ATOM 792 CA VAL A 52 -5.857 -2.368 -6.072 1.00 73.30 C ATOM 793 C VAL A 52 -5.420 -2.817 -4.659 1.00 75.32 C ATOM 794 O VAL A 52 -5.058 -1.983 -3.830 1.00 31.12 O ATOM 795 CB VAL A 52 -6.870 -1.200 -5.910 1.00 1.04 C ATOM 796 CG1 VAL A 52 -7.271 -0.621 -7.265 1.00 21.51 C ATOM 797 CG2 VAL A 52 -8.103 -1.653 -5.127 1.00 41.34 C ATOM 0 H VAL A 52 -7.127 -4.028 -6.437 1.00 11.11 H new ATOM 0 HA VAL A 52 -4.969 -2.043 -6.614 1.00 73.30 H new ATOM 0 HB VAL A 52 -6.377 -0.410 -5.343 1.00 1.04 H new ATOM 0 HG11 VAL A 52 -7.980 0.194 -7.117 1.00 21.51 H new ATOM 0 HG12 VAL A 52 -6.385 -0.243 -7.776 1.00 21.51 H new ATOM 0 HG13 VAL A 52 -7.734 -1.400 -7.871 1.00 21.51 H new ATOM 0 HG21 VAL A 52 -8.797 -0.819 -5.027 1.00 41.34 H new ATOM 0 HG22 VAL A 52 -8.592 -2.470 -5.658 1.00 41.34 H new ATOM 0 HG23 VAL A 52 -7.800 -1.994 -4.137 1.00 41.34 H new ATOM 807 N ASN A 53 -5.439 -4.119 -4.380 1.00 42.15 N ATOM 808 CA ASN A 53 -5.147 -4.617 -3.018 1.00 51.10 C ATOM 809 C ASN A 53 -3.656 -4.927 -2.795 1.00 71.52 C ATOM 810 O ASN A 53 -3.300 -5.652 -1.866 1.00 44.35 O ATOM 811 CB ASN A 53 -5.981 -5.871 -2.731 1.00 14.54 C ATOM 812 CG ASN A 53 -7.467 -5.580 -2.619 1.00 44.14 C ATOM 813 OD1 ASN A 53 -7.956 -4.585 -3.337 1.00 62.23 O flip ATOM 814 ND2 ASN A 53 -8.179 -6.245 -1.889 1.00 33.32 N flip ATOM 0 H ASN A 53 -5.649 -4.848 -5.062 1.00 42.15 H new ATOM 0 HA ASN A 53 -5.414 -3.817 -2.328 1.00 51.10 H new ATOM 0 HB2 ASN A 53 -5.818 -6.599 -3.525 1.00 14.54 H new ATOM 0 HB3 ASN A 53 -5.634 -6.327 -1.804 1.00 14.54 H new ATOM 0 HD21 ASN A 53 -7.779 -7.009 -1.344 1.00 33.32 H new ATOM 0 HD22 ASN A 53 -9.176 -6.039 -1.822 1.00 33.32 H new ATOM 821 N TYR A 54 -2.784 -4.352 -3.614 1.00 31.50 N ATOM 822 CA TYR A 54 -1.350 -4.634 -3.517 1.00 21.24 C ATOM 823 C TYR A 54 -0.506 -3.372 -3.723 1.00 33.43 C ATOM 824 O TYR A 54 -0.920 -2.432 -4.404 1.00 31.22 O ATOM 825 CB TYR A 54 -0.952 -5.702 -4.549 1.00 71.24 C ATOM 826 CG TYR A 54 -1.104 -5.243 -5.994 1.00 10.34 C ATOM 827 CD1 TYR A 54 -2.358 -5.171 -6.596 1.00 24.34 C ATOM 828 CD2 TYR A 54 0.005 -4.868 -6.753 1.00 21.30 C ATOM 829 CE1 TYR A 54 -2.500 -4.746 -7.904 1.00 63.35 C ATOM 830 CE2 TYR A 54 -0.134 -4.438 -8.058 1.00 15.31 C ATOM 831 CZ TYR A 54 -1.387 -4.380 -8.630 1.00 53.45 C ATOM 832 OH TYR A 54 -1.527 -3.951 -9.931 1.00 64.50 O ATOM 0 H TYR A 54 -3.038 -3.692 -4.349 1.00 31.50 H new ATOM 0 HA TYR A 54 -1.155 -5.005 -2.511 1.00 21.24 H new ATOM 0 HB2 TYR A 54 0.084 -5.993 -4.376 1.00 71.24 H new ATOM 0 HB3 TYR A 54 -1.563 -6.591 -4.393 1.00 71.24 H new ATOM 0 HD1 TYR A 54 -3.235 -5.452 -6.031 1.00 24.34 H new ATOM 0 HD2 TYR A 54 0.990 -4.915 -6.312 1.00 21.30 H new ATOM 0 HE1 TYR A 54 -3.480 -4.701 -8.355 1.00 63.35 H new ATOM 0 HE2 TYR A 54 0.736 -4.148 -8.629 1.00 15.31 H new ATOM 0 HH TYR A 54 -0.646 -3.730 -10.299 1.00 64.50 H new ATOM 842 N ALA A 55 0.681 -3.370 -3.129 1.00 2.12 N ATOM 843 CA ALA A 55 1.658 -2.301 -3.330 1.00 72.50 C ATOM 844 C ALA A 55 2.943 -2.870 -3.934 1.00 31.35 C ATOM 845 O ALA A 55 3.423 -3.922 -3.508 1.00 40.11 O ATOM 846 CB ALA A 55 1.960 -1.602 -2.010 1.00 10.22 C ATOM 0 H ALA A 55 0.995 -4.106 -2.496 1.00 2.12 H new ATOM 0 HA ALA A 55 1.238 -1.570 -4.021 1.00 72.50 H new ATOM 0 HB1 ALA A 55 2.689 -0.809 -2.177 1.00 10.22 H new ATOM 0 HB2 ALA A 55 1.043 -1.173 -1.607 1.00 10.22 H new ATOM 0 HB3 ALA A 55 2.365 -2.324 -1.300 1.00 10.22 H new ATOM 852 N GLU A 56 3.488 -2.187 -4.933 1.00 73.33 N ATOM 853 CA GLU A 56 4.734 -2.624 -5.570 1.00 73.32 C ATOM 854 C GLU A 56 5.945 -1.872 -4.991 1.00 31.33 C ATOM 855 O GLU A 56 6.070 -0.655 -5.150 1.00 1.44 O ATOM 856 CB GLU A 56 4.650 -2.441 -7.093 1.00 73.21 C ATOM 857 CG GLU A 56 3.482 -3.196 -7.723 1.00 4.22 C ATOM 858 CD GLU A 56 3.506 -3.198 -9.245 1.00 54.34 C ATOM 859 OE1 GLU A 56 4.263 -4.000 -9.831 1.00 43.24 O ATOM 860 OE2 GLU A 56 2.753 -2.418 -9.862 1.00 44.24 O ATOM 0 H GLU A 56 3.092 -1.331 -5.322 1.00 73.33 H new ATOM 0 HA GLU A 56 4.872 -3.684 -5.359 1.00 73.32 H new ATOM 0 HB2 GLU A 56 4.554 -1.379 -7.321 1.00 73.21 H new ATOM 0 HB3 GLU A 56 5.581 -2.781 -7.546 1.00 73.21 H new ATOM 0 HG2 GLU A 56 3.492 -4.226 -7.367 1.00 4.22 H new ATOM 0 HG3 GLU A 56 2.547 -2.750 -7.384 1.00 4.22 H new ATOM 867 N ILE A 57 6.834 -2.612 -4.324 1.00 31.41 N ATOM 868 CA ILE A 57 8.010 -2.034 -3.661 1.00 14.23 C ATOM 869 C ILE A 57 9.298 -2.410 -4.412 1.00 31.54 C ATOM 870 O ILE A 57 9.343 -3.401 -5.147 1.00 32.34 O ATOM 871 CB ILE A 57 8.134 -2.505 -2.175 1.00 74.03 C ATOM 872 CG1 ILE A 57 6.829 -2.256 -1.392 1.00 42.44 C ATOM 873 CG2 ILE A 57 9.303 -1.811 -1.473 1.00 60.41 C ATOM 874 CD1 ILE A 57 5.784 -3.335 -1.577 1.00 52.34 C ATOM 0 H ILE A 57 6.761 -3.625 -4.227 1.00 31.41 H new ATOM 0 HA ILE A 57 7.876 -0.952 -3.673 1.00 14.23 H new ATOM 0 HB ILE A 57 8.323 -3.578 -2.194 1.00 74.03 H new ATOM 0 HG12 ILE A 57 7.065 -2.171 -0.331 1.00 42.44 H new ATOM 0 HG13 ILE A 57 6.408 -1.300 -1.703 1.00 42.44 H new ATOM 0 HG21 ILE A 57 9.365 -2.157 -0.441 1.00 60.41 H new ATOM 0 HG22 ILE A 57 10.232 -2.048 -1.992 1.00 60.41 H new ATOM 0 HG23 ILE A 57 9.146 -0.732 -1.485 1.00 60.41 H new ATOM 0 HD11 ILE A 57 4.897 -3.086 -0.994 1.00 52.34 H new ATOM 0 HD12 ILE A 57 5.517 -3.406 -2.631 1.00 52.34 H new ATOM 0 HD13 ILE A 57 6.184 -4.291 -1.239 1.00 52.34 H new ATOM 886 N ASN A 58 10.333 -1.601 -4.228 1.00 41.43 N ATOM 887 CA ASN A 58 11.636 -1.818 -4.867 1.00 1.13 C ATOM 888 C ASN A 58 12.278 -3.128 -4.393 1.00 2.20 C ATOM 889 O ASN A 58 12.036 -3.566 -3.275 1.00 54.15 O ATOM 890 CB ASN A 58 12.553 -0.642 -4.532 1.00 3.23 C ATOM 891 CG ASN A 58 11.789 0.664 -4.568 1.00 13.41 C ATOM 892 OD1 ASN A 58 11.275 1.129 -3.558 1.00 71.34 O ATOM 893 ND2 ASN A 58 11.676 1.249 -5.730 1.00 54.53 N ATOM 0 H ASN A 58 10.299 -0.774 -3.632 1.00 41.43 H new ATOM 0 HA ASN A 58 11.490 -1.889 -5.945 1.00 1.13 H new ATOM 0 HB2 ASN A 58 12.990 -0.786 -3.544 1.00 3.23 H new ATOM 0 HB3 ASN A 58 13.379 -0.605 -5.243 1.00 3.23 H new ATOM 0 HD21 ASN A 58 11.148 2.118 -5.814 1.00 54.53 H new ATOM 0 HD22 ASN A 58 12.116 0.837 -6.553 1.00 54.53 H new ATOM 900 N GLU A 59 13.108 -3.744 -5.236 1.00 52.32 N ATOM 901 CA GLU A 59 13.740 -5.027 -4.891 1.00 21.24 C ATOM 902 C GLU A 59 14.744 -4.878 -3.736 1.00 55.31 C ATOM 903 O GLU A 59 14.804 -5.725 -2.840 1.00 23.13 O ATOM 904 CB GLU A 59 14.425 -5.652 -6.117 1.00 10.23 C ATOM 905 CG GLU A 59 15.115 -6.979 -5.811 1.00 41.42 C ATOM 906 CD GLU A 59 15.473 -7.763 -7.062 1.00 75.53 C ATOM 907 OE1 GLU A 59 16.584 -7.573 -7.600 1.00 61.21 O ATOM 908 OE2 GLU A 59 14.640 -8.582 -7.511 1.00 41.22 O ATOM 0 H GLU A 59 13.359 -3.382 -6.156 1.00 52.32 H new ATOM 0 HA GLU A 59 12.946 -5.695 -4.557 1.00 21.24 H new ATOM 0 HB2 GLU A 59 13.682 -5.808 -6.899 1.00 10.23 H new ATOM 0 HB3 GLU A 59 15.160 -4.950 -6.511 1.00 10.23 H new ATOM 0 HG2 GLU A 59 16.022 -6.787 -5.237 1.00 41.42 H new ATOM 0 HG3 GLU A 59 14.462 -7.585 -5.183 1.00 41.42 H new ATOM 915 N GLU A 60 15.531 -3.806 -3.753 1.00 75.42 N ATOM 916 CA GLU A 60 16.476 -3.539 -2.663 1.00 24.13 C ATOM 917 C GLU A 60 15.740 -3.289 -1.340 1.00 44.03 C ATOM 918 O GLU A 60 16.070 -3.883 -0.311 1.00 22.04 O ATOM 919 CB GLU A 60 17.372 -2.343 -2.990 1.00 74.33 C ATOM 920 CG GLU A 60 18.322 -2.579 -4.161 1.00 45.22 C ATOM 921 CD GLU A 60 19.377 -1.492 -4.272 1.00 75.20 C ATOM 922 OE1 GLU A 60 20.340 -1.515 -3.477 1.00 52.31 O ATOM 923 OE2 GLU A 60 19.248 -0.603 -5.135 1.00 51.31 O ATOM 0 H GLU A 60 15.537 -3.112 -4.500 1.00 75.42 H new ATOM 0 HA GLU A 60 17.101 -4.425 -2.553 1.00 24.13 H new ATOM 0 HB2 GLU A 60 16.743 -1.482 -3.214 1.00 74.33 H new ATOM 0 HB3 GLU A 60 17.957 -2.089 -2.106 1.00 74.33 H new ATOM 0 HG2 GLU A 60 18.810 -3.546 -4.041 1.00 45.22 H new ATOM 0 HG3 GLU A 60 17.750 -2.624 -5.088 1.00 45.22 H new ATOM 930 N ASP A 61 14.743 -2.407 -1.377 1.00 42.40 N ATOM 931 CA ASP A 61 13.920 -2.111 -0.200 1.00 65.03 C ATOM 932 C ASP A 61 13.084 -3.336 0.223 1.00 33.22 C ATOM 933 O ASP A 61 12.801 -3.535 1.407 1.00 44.40 O ATOM 934 CB ASP A 61 13.020 -0.911 -0.495 1.00 72.35 C ATOM 935 CG ASP A 61 13.834 0.338 -0.798 1.00 34.50 C ATOM 936 OD1 ASP A 61 14.615 0.765 0.078 1.00 52.02 O ATOM 937 OD2 ASP A 61 13.725 0.873 -1.919 1.00 71.41 O ATOM 0 H ASP A 61 14.483 -1.882 -2.212 1.00 42.40 H new ATOM 0 HA ASP A 61 14.578 -1.867 0.634 1.00 65.03 H new ATOM 0 HB2 ASP A 61 12.374 -1.140 -1.343 1.00 72.35 H new ATOM 0 HB3 ASP A 61 12.370 -0.724 0.360 1.00 72.35 H new ATOM 942 N TRP A 62 12.709 -4.155 -0.758 1.00 35.53 N ATOM 943 CA TRP A 62 12.019 -5.429 -0.515 1.00 5.54 C ATOM 944 C TRP A 62 12.812 -6.314 0.459 1.00 50.32 C ATOM 945 O TRP A 62 12.297 -6.752 1.493 1.00 34.12 O ATOM 946 CB TRP A 62 11.839 -6.155 -1.856 1.00 0.55 C ATOM 947 CG TRP A 62 11.113 -7.462 -1.769 1.00 51.41 C ATOM 948 CD1 TRP A 62 11.661 -8.705 -1.621 1.00 13.24 C ATOM 949 CD2 TRP A 62 9.700 -7.652 -1.854 1.00 32.51 C ATOM 950 NE1 TRP A 62 10.670 -9.653 -1.598 1.00 11.13 N ATOM 951 CE2 TRP A 62 9.458 -9.030 -1.739 1.00 22.13 C ATOM 952 CE3 TRP A 62 8.615 -6.785 -2.009 1.00 63.41 C ATOM 953 CZ2 TRP A 62 8.179 -9.561 -1.776 1.00 60.41 C ATOM 954 CZ3 TRP A 62 7.343 -7.316 -2.046 1.00 74.14 C ATOM 955 CH2 TRP A 62 7.134 -8.692 -1.929 1.00 3.41 C ATOM 0 H TRP A 62 12.873 -3.958 -1.745 1.00 35.53 H new ATOM 0 HA TRP A 62 11.048 -5.226 -0.063 1.00 5.54 H new ATOM 0 HB2 TRP A 62 11.298 -5.499 -2.538 1.00 0.55 H new ATOM 0 HB3 TRP A 62 12.822 -6.330 -2.294 1.00 0.55 H new ATOM 0 HD1 TRP A 62 12.718 -8.910 -1.535 1.00 13.24 H new ATOM 0 HE1 TRP A 62 10.812 -10.658 -1.493 1.00 11.13 H new ATOM 0 HE3 TRP A 62 8.770 -5.720 -2.098 1.00 63.41 H new ATOM 0 HZ2 TRP A 62 8.013 -10.624 -1.687 1.00 60.41 H new ATOM 0 HZ3 TRP A 62 6.495 -6.658 -2.167 1.00 74.14 H new ATOM 0 HH2 TRP A 62 6.126 -9.078 -1.960 1.00 3.41 H new ATOM 966 N ASN A 63 14.078 -6.561 0.125 1.00 21.45 N ATOM 967 CA ASN A 63 14.972 -7.336 0.989 1.00 4.20 C ATOM 968 C ASN A 63 15.345 -6.545 2.252 1.00 31.25 C ATOM 969 O ASN A 63 15.587 -7.128 3.310 1.00 52.31 O ATOM 970 CB ASN A 63 16.237 -7.739 0.224 1.00 50.54 C ATOM 971 CG ASN A 63 15.939 -8.688 -0.922 1.00 42.44 C ATOM 972 OD1 ASN A 63 15.003 -9.480 -0.866 1.00 51.02 O ATOM 973 ND2 ASN A 63 16.734 -8.620 -1.969 1.00 41.24 N ATOM 0 H ASN A 63 14.510 -6.235 -0.740 1.00 21.45 H new ATOM 0 HA ASN A 63 14.443 -8.238 1.297 1.00 4.20 H new ATOM 0 HB2 ASN A 63 16.724 -6.845 -0.165 1.00 50.54 H new ATOM 0 HB3 ASN A 63 16.939 -8.211 0.911 1.00 50.54 H new ATOM 0 HD21 ASN A 63 16.581 -9.237 -2.766 1.00 41.24 H new ATOM 0 HD22 ASN A 63 17.503 -7.950 -1.983 1.00 41.24 H new ATOM 980 N ALA A 64 15.379 -5.216 2.135 1.00 32.11 N ATOM 981 CA ALA A 64 15.666 -4.338 3.280 1.00 35.25 C ATOM 982 C ALA A 64 14.634 -4.526 4.406 1.00 3.50 C ATOM 983 O ALA A 64 14.978 -4.509 5.590 1.00 0.34 O ATOM 984 CB ALA A 64 15.699 -2.877 2.832 1.00 14.42 C ATOM 0 H ALA A 64 15.212 -4.720 1.259 1.00 32.11 H new ATOM 0 HA ALA A 64 16.645 -4.613 3.674 1.00 35.25 H new ATOM 0 HB1 ALA A 64 15.912 -2.238 3.689 1.00 14.42 H new ATOM 0 HB2 ALA A 64 16.476 -2.745 2.079 1.00 14.42 H new ATOM 0 HB3 ALA A 64 14.732 -2.604 2.408 1.00 14.42 H new ATOM 990 N LEU A 65 13.367 -4.694 4.028 1.00 13.54 N ATOM 991 CA LEU A 65 12.288 -4.954 4.991 1.00 73.24 C ATOM 992 C LEU A 65 12.118 -6.458 5.264 1.00 23.43 C ATOM 993 O LEU A 65 11.436 -6.854 6.211 1.00 24.54 O ATOM 994 CB LEU A 65 10.966 -4.378 4.461 1.00 41.24 C ATOM 995 CG LEU A 65 10.946 -2.855 4.264 1.00 45.44 C ATOM 996 CD1 LEU A 65 9.650 -2.414 3.590 1.00 53.23 C ATOM 997 CD2 LEU A 65 11.133 -2.133 5.598 1.00 12.44 C ATOM 0 H LEU A 65 13.058 -4.655 3.057 1.00 13.54 H new ATOM 0 HA LEU A 65 12.558 -4.468 5.929 1.00 73.24 H new ATOM 0 HB2 LEU A 65 10.738 -4.854 3.507 1.00 41.24 H new ATOM 0 HB3 LEU A 65 10.168 -4.649 5.152 1.00 41.24 H new ATOM 0 HG LEU A 65 11.778 -2.587 3.612 1.00 45.44 H new ATOM 0 HD11 LEU A 65 9.657 -1.332 3.460 1.00 53.23 H new ATOM 0 HD12 LEU A 65 9.564 -2.896 2.616 1.00 53.23 H new ATOM 0 HD13 LEU A 65 8.801 -2.699 4.212 1.00 53.23 H new ATOM 0 HD21 LEU A 65 11.116 -1.056 5.434 1.00 12.44 H new ATOM 0 HD22 LEU A 65 10.327 -2.410 6.278 1.00 12.44 H new ATOM 0 HD23 LEU A 65 12.090 -2.418 6.035 1.00 12.44 H new ATOM 1009 N GLY A 66 12.738 -7.290 4.429 1.00 5.24 N ATOM 1010 CA GLY A 66 12.570 -8.736 4.546 1.00 55.13 C ATOM 1011 C GLY A 66 11.172 -9.193 4.149 1.00 21.01 C ATOM 1012 O GLY A 66 10.522 -9.958 4.869 1.00 24.45 O ATOM 0 H GLY A 66 13.354 -6.992 3.673 1.00 5.24 H new ATOM 0 HA2 GLY A 66 13.305 -9.236 3.916 1.00 55.13 H new ATOM 0 HA3 GLY A 66 12.771 -9.040 5.573 1.00 55.13 H new ATOM 1016 N LEU A 67 10.704 -8.716 3.001 1.00 2.22 N ATOM 1017 CA LEU A 67 9.369 -9.050 2.509 1.00 2.31 C ATOM 1018 C LEU A 67 9.358 -10.367 1.726 1.00 40.13 C ATOM 1019 O LEU A 67 10.386 -10.831 1.227 1.00 73.41 O ATOM 1020 CB LEU A 67 8.828 -7.912 1.632 1.00 63.15 C ATOM 1021 CG LEU A 67 8.555 -6.592 2.367 1.00 40.23 C ATOM 1022 CD1 LEU A 67 8.069 -5.519 1.395 1.00 14.45 C ATOM 1023 CD2 LEU A 67 7.543 -6.810 3.489 1.00 15.11 C ATOM 0 H LEU A 67 11.232 -8.093 2.389 1.00 2.22 H new ATOM 0 HA LEU A 67 8.724 -9.179 3.378 1.00 2.31 H new ATOM 0 HB2 LEU A 67 9.542 -7.722 0.831 1.00 63.15 H new ATOM 0 HB3 LEU A 67 7.903 -8.246 1.162 1.00 63.15 H new ATOM 0 HG LEU A 67 9.488 -6.243 2.809 1.00 40.23 H new ATOM 0 HD11 LEU A 67 7.882 -4.593 1.939 1.00 14.45 H new ATOM 0 HD12 LEU A 67 8.830 -5.346 0.634 1.00 14.45 H new ATOM 0 HD13 LEU A 67 7.147 -5.851 0.917 1.00 14.45 H new ATOM 0 HD21 LEU A 67 7.359 -5.866 4.002 1.00 15.11 H new ATOM 0 HD22 LEU A 67 6.609 -7.183 3.069 1.00 15.11 H new ATOM 0 HD23 LEU A 67 7.938 -7.537 4.199 1.00 15.11 H new ATOM 1035 N GLN A 68 8.178 -10.956 1.629 1.00 12.55 N ATOM 1036 CA GLN A 68 7.966 -12.201 0.895 1.00 3.02 C ATOM 1037 C GLN A 68 6.702 -12.069 0.041 1.00 30.25 C ATOM 1038 O GLN A 68 5.653 -11.666 0.538 1.00 22.22 O ATOM 1039 CB GLN A 68 7.830 -13.378 1.874 1.00 73.51 C ATOM 1040 CG GLN A 68 7.694 -14.739 1.197 1.00 43.34 C ATOM 1041 CD GLN A 68 7.513 -15.875 2.192 1.00 30.21 C ATOM 1042 OE1 GLN A 68 6.947 -15.697 3.268 1.00 51.23 O ATOM 1043 NE2 GLN A 68 8.003 -17.048 1.847 1.00 75.01 N ATOM 0 H GLN A 68 7.331 -10.584 2.059 1.00 12.55 H new ATOM 0 HA GLN A 68 8.822 -12.393 0.248 1.00 3.02 H new ATOM 0 HB2 GLN A 68 8.702 -13.395 2.528 1.00 73.51 H new ATOM 0 HB3 GLN A 68 6.959 -13.211 2.508 1.00 73.51 H new ATOM 0 HG2 GLN A 68 6.842 -14.718 0.517 1.00 43.34 H new ATOM 0 HG3 GLN A 68 8.581 -14.929 0.592 1.00 43.34 H new ATOM 0 HE21 GLN A 68 8.467 -17.162 0.946 1.00 75.01 H new ATOM 0 HE22 GLN A 68 7.918 -17.843 2.481 1.00 75.01 H new ATOM 1052 N GLU A 69 6.803 -12.405 -1.237 1.00 11.35 N ATOM 1053 CA GLU A 69 5.710 -12.170 -2.187 1.00 61.34 C ATOM 1054 C GLU A 69 4.415 -12.864 -1.752 1.00 0.14 C ATOM 1055 O GLU A 69 4.161 -14.029 -2.078 1.00 60.22 O ATOM 1056 CB GLU A 69 6.145 -12.596 -3.593 1.00 31.31 C ATOM 1057 CG GLU A 69 7.320 -11.768 -4.095 1.00 4.30 C ATOM 1058 CD GLU A 69 7.923 -12.271 -5.399 1.00 53.22 C ATOM 1059 OE1 GLU A 69 8.639 -13.296 -5.373 1.00 55.01 O ATOM 1060 OE2 GLU A 69 7.714 -11.629 -6.450 1.00 2.44 O ATOM 0 H GLU A 69 7.629 -12.842 -1.646 1.00 11.35 H new ATOM 0 HA GLU A 69 5.490 -11.103 -2.203 1.00 61.34 H new ATOM 0 HB2 GLU A 69 6.420 -13.651 -3.585 1.00 31.31 H new ATOM 0 HB3 GLU A 69 5.306 -12.491 -4.281 1.00 31.31 H new ATOM 0 HG2 GLU A 69 6.992 -10.738 -4.233 1.00 4.30 H new ATOM 0 HG3 GLU A 69 8.096 -11.756 -3.329 1.00 4.30 H new ATOM 1067 N GLY A 70 3.617 -12.125 -0.984 1.00 2.13 N ATOM 1068 CA GLY A 70 2.369 -12.656 -0.444 1.00 74.11 C ATOM 1069 C GLY A 70 2.055 -12.203 0.987 1.00 41.33 C ATOM 1070 O GLY A 70 0.967 -12.486 1.494 1.00 1.13 O ATOM 0 H GLY A 70 3.813 -11.159 -0.722 1.00 2.13 H new ATOM 0 HA2 GLY A 70 1.548 -12.356 -1.096 1.00 74.11 H new ATOM 0 HA3 GLY A 70 2.412 -13.745 -0.466 1.00 74.11 H new ATOM 1074 N ASP A 71 2.986 -11.510 1.658 1.00 51.15 N ATOM 1075 CA ASP A 71 2.734 -11.046 3.037 1.00 63.22 C ATOM 1076 C ASP A 71 2.109 -9.635 3.087 1.00 12.55 C ATOM 1077 O ASP A 71 1.766 -9.050 2.056 1.00 73.44 O ATOM 1078 CB ASP A 71 4.003 -11.124 3.915 1.00 53.30 C ATOM 1079 CG ASP A 71 5.238 -10.474 3.318 1.00 24.10 C ATOM 1080 OD1 ASP A 71 5.112 -9.478 2.586 1.00 71.12 O ATOM 1081 OD2 ASP A 71 6.354 -10.960 3.609 1.00 12.54 O ATOM 0 H ASP A 71 3.901 -11.261 1.283 1.00 51.15 H new ATOM 0 HA ASP A 71 1.999 -11.734 3.454 1.00 63.22 H new ATOM 0 HB2 ASP A 71 3.792 -10.653 4.875 1.00 53.30 H new ATOM 0 HB3 ASP A 71 4.224 -12.172 4.116 1.00 53.30 H new ATOM 1086 N ARG A 72 1.936 -9.109 4.306 1.00 32.33 N ATOM 1087 CA ARG A 72 1.203 -7.852 4.526 1.00 72.11 C ATOM 1088 C ARG A 72 2.138 -6.679 4.862 1.00 41.24 C ATOM 1089 O ARG A 72 3.031 -6.793 5.708 1.00 43.12 O ATOM 1090 CB ARG A 72 0.174 -8.018 5.664 1.00 42.31 C ATOM 1091 CG ARG A 72 -1.032 -8.893 5.320 1.00 73.30 C ATOM 1092 CD ARG A 72 -0.663 -10.361 5.129 1.00 14.32 C ATOM 1093 NE ARG A 72 -1.830 -11.187 4.820 1.00 64.10 N ATOM 1094 CZ ARG A 72 -1.787 -12.293 4.124 1.00 23.31 C ATOM 1095 NH1 ARG A 72 -0.669 -12.725 3.636 1.00 53.43 N ATOM 1096 NH2 ARG A 72 -2.871 -12.964 3.911 1.00 73.21 N ATOM 0 H ARG A 72 2.295 -9.536 5.160 1.00 32.33 H new ATOM 0 HA ARG A 72 0.693 -7.622 3.591 1.00 72.11 H new ATOM 0 HB2 ARG A 72 0.679 -8.445 6.531 1.00 42.31 H new ATOM 0 HB3 ARG A 72 -0.184 -7.031 5.957 1.00 42.31 H new ATOM 0 HG2 ARG A 72 -1.774 -8.810 6.115 1.00 73.30 H new ATOM 0 HG3 ARG A 72 -1.498 -8.519 4.409 1.00 73.30 H new ATOM 0 HD2 ARG A 72 0.066 -10.449 4.324 1.00 14.32 H new ATOM 0 HD3 ARG A 72 -0.185 -10.735 6.034 1.00 14.32 H new ATOM 0 HE ARG A 72 -2.737 -10.880 5.171 1.00 64.10 H new ATOM 0 HH11 ARG A 72 0.192 -12.201 3.793 1.00 53.43 H new ATOM 0 HH12 ARG A 72 -0.649 -13.589 3.095 1.00 53.43 H new ATOM 0 HH21 ARG A 72 -3.759 -12.631 4.286 1.00 73.21 H new ATOM 0 HH22 ARG A 72 -2.838 -13.827 3.368 1.00 73.21 H new ATOM 1110 N VAL A 73 1.906 -5.541 4.209 1.00 25.53 N ATOM 1111 CA VAL A 73 2.657 -4.309 4.480 1.00 11.22 C ATOM 1112 C VAL A 73 1.715 -3.135 4.790 1.00 45.24 C ATOM 1113 O VAL A 73 0.624 -3.030 4.225 1.00 61.05 O ATOM 1114 CB VAL A 73 3.573 -3.915 3.289 1.00 4.32 C ATOM 1115 CG1 VAL A 73 4.679 -4.945 3.091 1.00 24.34 C ATOM 1116 CG2 VAL A 73 2.760 -3.741 2.004 1.00 74.25 C ATOM 0 H VAL A 73 1.198 -5.444 3.481 1.00 25.53 H new ATOM 0 HA VAL A 73 3.278 -4.516 5.351 1.00 11.22 H new ATOM 0 HB VAL A 73 4.037 -2.958 3.527 1.00 4.32 H new ATOM 0 HG11 VAL A 73 5.307 -4.647 2.251 1.00 24.34 H new ATOM 0 HG12 VAL A 73 5.286 -5.006 3.995 1.00 24.34 H new ATOM 0 HG13 VAL A 73 4.236 -5.919 2.885 1.00 24.34 H new ATOM 0 HG21 VAL A 73 3.426 -3.465 1.186 1.00 74.25 H new ATOM 0 HG22 VAL A 73 2.257 -4.677 1.762 1.00 74.25 H new ATOM 0 HG23 VAL A 73 2.017 -2.956 2.147 1.00 74.25 H new ATOM 1126 N LYS A 74 2.136 -2.261 5.698 1.00 42.21 N ATOM 1127 CA LYS A 74 1.360 -1.064 6.035 1.00 42.42 C ATOM 1128 C LYS A 74 1.997 0.193 5.424 1.00 63.44 C ATOM 1129 O LYS A 74 3.213 0.268 5.247 1.00 65.33 O ATOM 1130 CB LYS A 74 1.247 -0.904 7.560 1.00 74.02 C ATOM 1131 CG LYS A 74 0.421 0.309 7.994 1.00 72.53 C ATOM 1132 CD LYS A 74 0.480 0.532 9.500 1.00 52.44 C ATOM 1133 CE LYS A 74 -0.255 -0.552 10.278 1.00 63.35 C ATOM 1134 NZ LYS A 74 -1.735 -0.407 10.201 1.00 0.32 N ATOM 0 H LYS A 74 3.010 -2.355 6.216 1.00 42.21 H new ATOM 0 HA LYS A 74 0.361 -1.185 5.617 1.00 42.42 H new ATOM 0 HB2 LYS A 74 0.799 -1.805 7.978 1.00 74.02 H new ATOM 0 HB3 LYS A 74 2.248 -0.820 7.982 1.00 74.02 H new ATOM 0 HG2 LYS A 74 0.787 1.199 7.481 1.00 72.53 H new ATOM 0 HG3 LYS A 74 -0.616 0.169 7.689 1.00 72.53 H new ATOM 0 HD2 LYS A 74 1.522 0.561 9.819 1.00 52.44 H new ATOM 0 HD3 LYS A 74 0.046 1.503 9.738 1.00 52.44 H new ATOM 0 HE2 LYS A 74 0.031 -1.530 9.891 1.00 63.35 H new ATOM 0 HE3 LYS A 74 0.056 -0.519 11.322 1.00 63.35 H new ATOM 0 HZ1 LYS A 74 -2.187 -1.178 10.732 1.00 0.32 H new ATOM 0 HZ2 LYS A 74 -2.016 0.507 10.610 1.00 0.32 H new ATOM 0 HZ3 LYS A 74 -2.037 -0.448 9.207 1.00 0.32 H new ATOM 1148 N VAL A 75 1.162 1.183 5.132 1.00 64.00 N ATOM 1149 CA VAL A 75 1.599 2.434 4.510 1.00 62.12 C ATOM 1150 C VAL A 75 1.038 3.620 5.299 1.00 32.31 C ATOM 1151 O VAL A 75 -0.124 3.601 5.704 1.00 72.43 O ATOM 1152 CB VAL A 75 1.128 2.531 3.033 1.00 74.34 C ATOM 1153 CG1 VAL A 75 1.614 3.826 2.389 1.00 70.04 C ATOM 1154 CG2 VAL A 75 1.590 1.316 2.228 1.00 42.23 C ATOM 0 H VAL A 75 0.160 1.144 5.319 1.00 64.00 H new ATOM 0 HA VAL A 75 2.689 2.454 4.522 1.00 62.12 H new ATOM 0 HB VAL A 75 0.038 2.541 3.030 1.00 74.34 H new ATOM 0 HG11 VAL A 75 1.271 3.869 1.355 1.00 70.04 H new ATOM 0 HG12 VAL A 75 1.216 4.678 2.940 1.00 70.04 H new ATOM 0 HG13 VAL A 75 2.703 3.857 2.411 1.00 70.04 H new ATOM 0 HG21 VAL A 75 1.246 1.410 1.198 1.00 42.23 H new ATOM 0 HG22 VAL A 75 2.679 1.261 2.244 1.00 42.23 H new ATOM 0 HG23 VAL A 75 1.175 0.409 2.668 1.00 42.23 H new ATOM 1164 N LYS A 76 1.858 4.641 5.526 1.00 10.32 N ATOM 1165 CA LYS A 76 1.456 5.780 6.361 1.00 50.22 C ATOM 1166 C LYS A 76 1.890 7.128 5.774 1.00 32.32 C ATOM 1167 O LYS A 76 3.036 7.309 5.367 1.00 34.33 O ATOM 1168 CB LYS A 76 2.027 5.601 7.776 1.00 54.10 C ATOM 1169 CG LYS A 76 1.172 4.704 8.667 1.00 61.30 C ATOM 1170 CD LYS A 76 1.977 4.075 9.798 1.00 42.04 C ATOM 1171 CE LYS A 76 1.081 3.653 10.962 1.00 53.02 C ATOM 1172 NZ LYS A 76 0.398 4.815 11.589 1.00 32.01 N ATOM 0 H LYS A 76 2.803 4.708 5.147 1.00 10.32 H new ATOM 0 HA LYS A 76 0.367 5.795 6.397 1.00 50.22 H new ATOM 0 HB2 LYS A 76 3.030 5.179 7.704 1.00 54.10 H new ATOM 0 HB3 LYS A 76 2.126 6.579 8.246 1.00 54.10 H new ATOM 0 HG2 LYS A 76 0.354 5.288 9.088 1.00 61.30 H new ATOM 0 HG3 LYS A 76 0.723 3.916 8.062 1.00 61.30 H new ATOM 0 HD2 LYS A 76 2.517 3.207 9.421 1.00 42.04 H new ATOM 0 HD3 LYS A 76 2.724 4.786 10.152 1.00 42.04 H new ATOM 0 HE2 LYS A 76 0.335 2.943 10.606 1.00 53.02 H new ATOM 0 HE3 LYS A 76 1.680 3.137 11.712 1.00 53.02 H new ATOM 0 HZ1 LYS A 76 0.519 4.774 12.621 1.00 32.01 H new ATOM 0 HZ2 LYS A 76 0.812 5.698 11.227 1.00 32.01 H new ATOM 0 HZ3 LYS A 76 -0.616 4.788 11.358 1.00 32.01 H new ATOM 1186 N THR A 77 0.951 8.069 5.739 1.00 72.15 N ATOM 1187 CA THR A 77 1.211 9.438 5.271 1.00 11.52 C ATOM 1188 C THR A 77 0.554 10.452 6.212 1.00 50.35 C ATOM 1189 O THR A 77 0.041 10.088 7.272 1.00 13.41 O ATOM 1190 CB THR A 77 0.653 9.679 3.847 1.00 41.13 C ATOM 1191 OG1 THR A 77 -0.784 9.679 3.876 1.00 65.25 O ATOM 1192 CG2 THR A 77 1.144 8.621 2.863 1.00 61.03 C ATOM 0 H THR A 77 -0.013 7.910 6.033 1.00 72.15 H new ATOM 0 HA THR A 77 2.293 9.565 5.256 1.00 11.52 H new ATOM 0 HB THR A 77 1.016 10.650 3.510 1.00 41.13 H new ATOM 0 HG1 THR A 77 -1.130 9.681 2.959 1.00 65.25 H new ATOM 0 HG21 THR A 77 0.731 8.824 1.875 1.00 61.03 H new ATOM 0 HG22 THR A 77 2.233 8.647 2.814 1.00 61.03 H new ATOM 0 HG23 THR A 77 0.819 7.635 3.196 1.00 61.03 H new ATOM 1200 N GLU A 78 0.559 11.725 5.827 1.00 72.14 N ATOM 1201 CA GLU A 78 -0.121 12.764 6.612 1.00 40.24 C ATOM 1202 C GLU A 78 -1.649 12.698 6.432 1.00 72.44 C ATOM 1203 O GLU A 78 -2.398 13.379 7.137 1.00 44.33 O ATOM 1204 CB GLU A 78 0.399 14.157 6.232 1.00 71.35 C ATOM 1205 CG GLU A 78 0.144 14.551 4.783 1.00 52.12 C ATOM 1206 CD GLU A 78 0.747 15.903 4.439 1.00 51.53 C ATOM 1207 OE1 GLU A 78 0.100 16.934 4.715 1.00 13.33 O ATOM 1208 OE2 GLU A 78 1.876 15.941 3.905 1.00 73.05 O ATOM 0 H GLU A 78 1.021 12.065 4.984 1.00 72.14 H new ATOM 0 HA GLU A 78 0.102 12.580 7.663 1.00 40.24 H new ATOM 0 HB2 GLU A 78 -0.067 14.896 6.884 1.00 71.35 H new ATOM 0 HB3 GLU A 78 1.471 14.195 6.423 1.00 71.35 H new ATOM 0 HG2 GLU A 78 0.562 13.791 4.123 1.00 52.12 H new ATOM 0 HG3 GLU A 78 -0.930 14.577 4.599 1.00 52.12 H new ATOM 1215 N PHE A 79 -2.105 11.874 5.489 1.00 32.22 N ATOM 1216 CA PHE A 79 -3.543 11.701 5.229 1.00 1.33 C ATOM 1217 C PHE A 79 -4.131 10.547 6.059 1.00 0.23 C ATOM 1218 O PHE A 79 -5.260 10.634 6.551 1.00 21.53 O ATOM 1219 CB PHE A 79 -3.787 11.448 3.735 1.00 41.14 C ATOM 1220 CG PHE A 79 -3.370 12.597 2.848 1.00 71.33 C ATOM 1221 CD1 PHE A 79 -4.265 13.616 2.540 1.00 5.52 C ATOM 1222 CD2 PHE A 79 -2.087 12.661 2.325 1.00 15.14 C ATOM 1223 CE1 PHE A 79 -3.885 14.670 1.731 1.00 10.30 C ATOM 1224 CE2 PHE A 79 -1.705 13.715 1.517 1.00 0.15 C ATOM 1225 CZ PHE A 79 -2.604 14.718 1.219 1.00 64.33 C ATOM 0 H PHE A 79 -1.501 11.312 4.888 1.00 32.22 H new ATOM 0 HA PHE A 79 -4.046 12.621 5.526 1.00 1.33 H new ATOM 0 HB2 PHE A 79 -3.243 10.552 3.434 1.00 41.14 H new ATOM 0 HB3 PHE A 79 -4.847 11.246 3.578 1.00 41.14 H new ATOM 0 HD1 PHE A 79 -5.269 13.583 2.938 1.00 5.52 H new ATOM 0 HD2 PHE A 79 -1.378 11.878 2.552 1.00 15.14 H new ATOM 0 HE1 PHE A 79 -4.589 15.455 1.500 1.00 10.30 H new ATOM 0 HE2 PHE A 79 -0.702 13.754 1.119 1.00 0.15 H new ATOM 0 HZ PHE A 79 -2.306 15.540 0.586 1.00 64.33 H new ATOM 1235 N GLY A 80 -3.367 9.470 6.208 1.00 24.23 N ATOM 1236 CA GLY A 80 -3.832 8.314 6.970 1.00 14.45 C ATOM 1237 C GLY A 80 -2.932 7.093 6.809 1.00 0.31 C ATOM 1238 O GLY A 80 -1.722 7.228 6.624 1.00 3.22 O ATOM 0 H GLY A 80 -2.431 9.372 5.815 1.00 24.23 H new ATOM 0 HA2 GLY A 80 -3.888 8.580 8.025 1.00 14.45 H new ATOM 0 HA3 GLY A 80 -4.843 8.058 6.651 1.00 14.45 H new ATOM 1242 N GLU A 81 -3.523 5.897 6.874 1.00 25.24 N ATOM 1243 CA GLU A 81 -2.758 4.648 6.763 1.00 34.34 C ATOM 1244 C GLU A 81 -3.618 3.482 6.245 1.00 54.15 C ATOM 1245 O GLU A 81 -4.841 3.487 6.383 1.00 14.00 O ATOM 1246 CB GLU A 81 -2.149 4.274 8.119 1.00 22.10 C ATOM 1247 CG GLU A 81 -3.176 4.018 9.214 1.00 53.44 C ATOM 1248 CD GLU A 81 -2.534 3.508 10.491 1.00 0.24 C ATOM 1249 OE1 GLU A 81 -2.288 2.286 10.584 1.00 32.00 O ATOM 1250 OE2 GLU A 81 -2.258 4.324 11.395 1.00 53.21 O ATOM 0 H GLU A 81 -4.526 5.765 7.003 1.00 25.24 H new ATOM 0 HA GLU A 81 -1.964 4.824 6.037 1.00 34.34 H new ATOM 0 HB2 GLU A 81 -1.536 3.382 7.996 1.00 22.10 H new ATOM 0 HB3 GLU A 81 -1.484 5.076 8.440 1.00 22.10 H new ATOM 0 HG2 GLU A 81 -3.718 4.940 9.425 1.00 53.44 H new ATOM 0 HG3 GLU A 81 -3.908 3.291 8.861 1.00 53.44 H new ATOM 1257 N VAL A 82 -2.960 2.477 5.664 1.00 21.42 N ATOM 1258 CA VAL A 82 -3.648 1.299 5.113 1.00 64.50 C ATOM 1259 C VAL A 82 -2.725 0.059 5.113 1.00 2.11 C ATOM 1260 O VAL A 82 -1.502 0.189 5.024 1.00 11.14 O ATOM 1261 CB VAL A 82 -4.139 1.585 3.665 1.00 12.42 C ATOM 1262 CG1 VAL A 82 -2.960 1.781 2.712 1.00 34.14 C ATOM 1263 CG2 VAL A 82 -5.073 0.483 3.162 1.00 32.14 C ATOM 0 H VAL A 82 -1.946 2.452 5.561 1.00 21.42 H new ATOM 0 HA VAL A 82 -4.507 1.090 5.751 1.00 64.50 H new ATOM 0 HB VAL A 82 -4.709 2.514 3.691 1.00 12.42 H new ATOM 0 HG11 VAL A 82 -3.333 1.979 1.707 1.00 34.14 H new ATOM 0 HG12 VAL A 82 -2.357 2.624 3.048 1.00 34.14 H new ATOM 0 HG13 VAL A 82 -2.348 0.879 2.700 1.00 34.14 H new ATOM 0 HG21 VAL A 82 -5.397 0.715 2.147 1.00 32.14 H new ATOM 0 HG22 VAL A 82 -4.545 -0.471 3.165 1.00 32.14 H new ATOM 0 HG23 VAL A 82 -5.944 0.418 3.815 1.00 32.14 H new ATOM 1273 N VAL A 83 -3.313 -1.139 5.237 1.00 42.24 N ATOM 1274 CA VAL A 83 -2.548 -2.399 5.151 1.00 74.50 C ATOM 1275 C VAL A 83 -2.906 -3.158 3.857 1.00 4.44 C ATOM 1276 O VAL A 83 -4.060 -3.553 3.662 1.00 21.00 O ATOM 1277 CB VAL A 83 -2.814 -3.338 6.366 1.00 14.01 C ATOM 1278 CG1 VAL A 83 -1.909 -4.569 6.303 1.00 23.13 C ATOM 1279 CG2 VAL A 83 -2.626 -2.614 7.698 1.00 70.32 C ATOM 0 H VAL A 83 -4.312 -1.266 5.397 1.00 42.24 H new ATOM 0 HA VAL A 83 -1.494 -2.123 5.152 1.00 74.50 H new ATOM 0 HB VAL A 83 -3.855 -3.657 6.306 1.00 14.01 H new ATOM 0 HG11 VAL A 83 -2.110 -5.212 7.160 1.00 23.13 H new ATOM 0 HG12 VAL A 83 -2.106 -5.119 5.383 1.00 23.13 H new ATOM 0 HG13 VAL A 83 -0.865 -4.255 6.322 1.00 23.13 H new ATOM 0 HG21 VAL A 83 -2.821 -3.305 8.518 1.00 70.32 H new ATOM 0 HG22 VAL A 83 -1.603 -2.245 7.770 1.00 70.32 H new ATOM 0 HG23 VAL A 83 -3.320 -1.775 7.757 1.00 70.32 H new ATOM 1289 N VAL A 84 -1.918 -3.359 2.983 1.00 72.52 N ATOM 1290 CA VAL A 84 -2.133 -4.028 1.686 1.00 72.30 C ATOM 1291 C VAL A 84 -1.195 -5.238 1.504 1.00 22.44 C ATOM 1292 O VAL A 84 -0.357 -5.521 2.361 1.00 55.51 O ATOM 1293 CB VAL A 84 -1.911 -3.041 0.504 1.00 60.41 C ATOM 1294 CG1 VAL A 84 -2.882 -1.862 0.577 1.00 62.31 C ATOM 1295 CG2 VAL A 84 -0.463 -2.549 0.473 1.00 43.23 C ATOM 0 H VAL A 84 -0.954 -3.068 3.146 1.00 72.52 H new ATOM 0 HA VAL A 84 -3.166 -4.377 1.684 1.00 72.30 H new ATOM 0 HB VAL A 84 -2.110 -3.580 -0.422 1.00 60.41 H new ATOM 0 HG11 VAL A 84 -2.702 -1.190 -0.262 1.00 62.31 H new ATOM 0 HG12 VAL A 84 -3.907 -2.231 0.533 1.00 62.31 H new ATOM 0 HG13 VAL A 84 -2.730 -1.323 1.512 1.00 62.31 H new ATOM 0 HG21 VAL A 84 -0.331 -1.860 -0.361 1.00 43.23 H new ATOM 0 HG22 VAL A 84 -0.233 -2.036 1.407 1.00 43.23 H new ATOM 0 HG23 VAL A 84 0.208 -3.400 0.351 1.00 43.23 H new ATOM 1305 N PHE A 85 -1.344 -5.954 0.385 1.00 1.23 N ATOM 1306 CA PHE A 85 -0.444 -7.071 0.055 1.00 3.44 C ATOM 1307 C PHE A 85 0.883 -6.565 -0.538 1.00 64.20 C ATOM 1308 O PHE A 85 0.911 -5.573 -1.271 1.00 52.12 O ATOM 1309 CB PHE A 85 -1.115 -8.040 -0.933 1.00 63.21 C ATOM 1310 CG PHE A 85 -2.256 -8.832 -0.344 1.00 12.23 C ATOM 1311 CD1 PHE A 85 -2.008 -9.896 0.515 1.00 33.42 C ATOM 1312 CD2 PHE A 85 -3.575 -8.528 -0.659 1.00 34.02 C ATOM 1313 CE1 PHE A 85 -3.049 -10.635 1.046 1.00 72.21 C ATOM 1314 CE2 PHE A 85 -4.617 -9.264 -0.129 1.00 23.31 C ATOM 1315 CZ PHE A 85 -4.355 -10.318 0.724 1.00 43.24 C ATOM 0 H PHE A 85 -2.074 -5.784 -0.306 1.00 1.23 H new ATOM 0 HA PHE A 85 -0.230 -7.600 0.984 1.00 3.44 H new ATOM 0 HB2 PHE A 85 -1.484 -7.472 -1.787 1.00 63.21 H new ATOM 0 HB3 PHE A 85 -0.364 -8.733 -1.312 1.00 63.21 H new ATOM 0 HD1 PHE A 85 -0.990 -10.149 0.771 1.00 33.42 H new ATOM 0 HD2 PHE A 85 -3.788 -7.706 -1.326 1.00 34.02 H new ATOM 0 HE1 PHE A 85 -2.842 -11.459 1.712 1.00 72.21 H new ATOM 0 HE2 PHE A 85 -5.637 -9.015 -0.382 1.00 23.31 H new ATOM 0 HZ PHE A 85 -5.169 -10.894 1.139 1.00 43.24 H new ATOM 1325 N ALA A 86 1.976 -7.258 -0.225 1.00 64.31 N ATOM 1326 CA ALA A 86 3.307 -6.872 -0.703 1.00 40.02 C ATOM 1327 C ALA A 86 3.663 -7.530 -2.048 1.00 72.11 C ATOM 1328 O ALA A 86 3.640 -8.755 -2.184 1.00 71.32 O ATOM 1329 CB ALA A 86 4.359 -7.227 0.342 1.00 15.40 C ATOM 0 H ALA A 86 1.968 -8.094 0.360 1.00 64.31 H new ATOM 0 HA ALA A 86 3.291 -5.794 -0.864 1.00 40.02 H new ATOM 0 HB1 ALA A 86 5.345 -6.937 -0.021 1.00 15.40 H new ATOM 0 HB2 ALA A 86 4.144 -6.697 1.270 1.00 15.40 H new ATOM 0 HB3 ALA A 86 4.342 -8.301 0.525 1.00 15.40 H new ATOM 1335 N LYS A 87 3.985 -6.699 -3.038 1.00 13.41 N ATOM 1336 CA LYS A 87 4.487 -7.166 -4.337 1.00 52.13 C ATOM 1337 C LYS A 87 5.715 -6.361 -4.764 1.00 42.34 C ATOM 1338 O LYS A 87 5.924 -5.237 -4.317 1.00 61.03 O ATOM 1339 CB LYS A 87 3.400 -7.068 -5.420 1.00 23.24 C ATOM 1340 CG LYS A 87 2.331 -8.158 -5.337 1.00 60.15 C ATOM 1341 CD LYS A 87 1.316 -8.057 -6.473 1.00 22.13 C ATOM 1342 CE LYS A 87 2.006 -7.882 -7.815 1.00 32.30 C ATOM 1343 NZ LYS A 87 1.052 -7.896 -8.957 1.00 32.14 N ATOM 0 H LYS A 87 3.907 -5.685 -2.966 1.00 13.41 H new ATOM 0 HA LYS A 87 4.770 -8.212 -4.223 1.00 52.13 H new ATOM 0 HB2 LYS A 87 2.916 -6.094 -5.346 1.00 23.24 H new ATOM 0 HB3 LYS A 87 3.875 -7.114 -6.400 1.00 23.24 H new ATOM 0 HG2 LYS A 87 2.810 -9.137 -5.365 1.00 60.15 H new ATOM 0 HG3 LYS A 87 1.813 -8.084 -4.381 1.00 60.15 H new ATOM 0 HD2 LYS A 87 0.699 -8.955 -6.493 1.00 22.13 H new ATOM 0 HD3 LYS A 87 0.648 -7.215 -6.293 1.00 22.13 H new ATOM 0 HE2 LYS A 87 2.555 -6.940 -7.817 1.00 32.30 H new ATOM 0 HE3 LYS A 87 2.739 -8.678 -7.949 1.00 32.30 H new ATOM 0 HZ1 LYS A 87 1.575 -7.773 -9.848 1.00 32.14 H new ATOM 0 HZ2 LYS A 87 0.546 -8.804 -8.975 1.00 32.14 H new ATOM 0 HZ3 LYS A 87 0.368 -7.120 -8.847 1.00 32.14 H new ATOM 1357 N LYS A 88 6.530 -6.950 -5.626 1.00 71.12 N ATOM 1358 CA LYS A 88 7.763 -6.317 -6.073 1.00 34.34 C ATOM 1359 C LYS A 88 7.576 -5.631 -7.436 1.00 51.33 C ATOM 1360 O LYS A 88 7.104 -6.250 -8.392 1.00 61.23 O ATOM 1361 CB LYS A 88 8.869 -7.370 -6.168 1.00 71.25 C ATOM 1362 CG LYS A 88 10.259 -6.783 -6.039 1.00 25.30 C ATOM 1363 CD LYS A 88 11.339 -7.769 -6.472 1.00 73.34 C ATOM 1364 CE LYS A 88 11.319 -9.055 -5.652 1.00 40.34 C ATOM 1365 NZ LYS A 88 12.308 -10.041 -6.167 1.00 12.22 N ATOM 0 H LYS A 88 6.359 -7.870 -6.032 1.00 71.12 H new ATOM 0 HA LYS A 88 8.040 -5.552 -5.348 1.00 34.34 H new ATOM 0 HB2 LYS A 88 8.721 -8.115 -5.386 1.00 71.25 H new ATOM 0 HB3 LYS A 88 8.787 -7.889 -7.123 1.00 71.25 H new ATOM 0 HG2 LYS A 88 10.329 -5.880 -6.645 1.00 25.30 H new ATOM 0 HG3 LYS A 88 10.433 -6.487 -5.005 1.00 25.30 H new ATOM 0 HD2 LYS A 88 11.203 -8.012 -7.526 1.00 73.34 H new ATOM 0 HD3 LYS A 88 12.317 -7.297 -6.377 1.00 73.34 H new ATOM 0 HE2 LYS A 88 11.539 -8.827 -4.609 1.00 40.34 H new ATOM 0 HE3 LYS A 88 10.320 -9.491 -5.679 1.00 40.34 H new ATOM 0 HZ1 LYS A 88 12.660 -10.623 -5.380 1.00 12.22 H new ATOM 0 HZ2 LYS A 88 11.852 -10.653 -6.874 1.00 12.22 H new ATOM 0 HZ3 LYS A 88 13.104 -9.537 -6.608 1.00 12.22 H new ATOM 1379 N GLY A 89 7.966 -4.359 -7.531 1.00 62.32 N ATOM 1380 CA GLY A 89 7.794 -3.610 -8.775 1.00 62.22 C ATOM 1381 C GLY A 89 9.072 -2.929 -9.256 1.00 40.10 C ATOM 1382 O GLY A 89 9.956 -2.610 -8.459 1.00 43.21 O ATOM 0 H GLY A 89 8.398 -3.832 -6.772 1.00 62.32 H new ATOM 0 HA2 GLY A 89 7.438 -4.287 -9.551 1.00 62.22 H new ATOM 0 HA3 GLY A 89 7.021 -2.855 -8.632 1.00 62.22 H new ATOM 1386 N ASP A 90 9.163 -2.690 -10.564 1.00 30.02 N ATOM 1387 CA ASP A 90 10.338 -2.039 -11.166 1.00 13.14 C ATOM 1388 C ASP A 90 10.301 -0.509 -10.969 1.00 34.40 C ATOM 1389 O ASP A 90 10.561 0.261 -11.898 1.00 3.31 O ATOM 1390 CB ASP A 90 10.395 -2.377 -12.658 1.00 31.11 C ATOM 1391 CG ASP A 90 10.380 -3.874 -12.910 1.00 43.34 C ATOM 1392 OD1 ASP A 90 11.450 -4.511 -12.803 1.00 43.42 O ATOM 1393 OD2 ASP A 90 9.299 -4.421 -13.214 1.00 44.34 O ATOM 0 H ASP A 90 8.435 -2.937 -11.235 1.00 30.02 H new ATOM 0 HA ASP A 90 11.232 -2.413 -10.667 1.00 13.14 H new ATOM 0 HB2 ASP A 90 9.547 -1.917 -13.165 1.00 31.11 H new ATOM 0 HB3 ASP A 90 11.298 -1.947 -13.092 1.00 31.11 H new ATOM 1398 N VAL A 91 10.009 -0.084 -9.743 1.00 10.53 N ATOM 1399 CA VAL A 91 9.872 1.337 -9.403 1.00 13.20 C ATOM 1400 C VAL A 91 11.189 1.914 -8.826 1.00 61.20 C ATOM 1401 O VAL A 91 12.059 1.160 -8.383 1.00 12.12 O ATOM 1402 CB VAL A 91 8.709 1.534 -8.390 1.00 41.11 C ATOM 1403 CG1 VAL A 91 7.365 1.185 -9.032 1.00 12.01 C ATOM 1404 CG2 VAL A 91 8.928 0.687 -7.136 1.00 72.01 C ATOM 0 H VAL A 91 9.860 -0.712 -8.953 1.00 10.53 H new ATOM 0 HA VAL A 91 9.646 1.880 -10.320 1.00 13.20 H new ATOM 0 HB VAL A 91 8.694 2.585 -8.100 1.00 41.11 H new ATOM 0 HG11 VAL A 91 6.566 1.330 -8.305 1.00 12.01 H new ATOM 0 HG12 VAL A 91 7.194 1.831 -9.893 1.00 12.01 H new ATOM 0 HG13 VAL A 91 7.376 0.144 -9.356 1.00 12.01 H new ATOM 0 HG21 VAL A 91 8.101 0.842 -6.443 1.00 72.01 H new ATOM 0 HG22 VAL A 91 8.977 -0.366 -7.412 1.00 72.01 H new ATOM 0 HG23 VAL A 91 9.862 0.980 -6.657 1.00 72.01 H new ATOM 1414 N PRO A 92 11.372 3.257 -8.851 1.00 65.00 N ATOM 1415 CA PRO A 92 12.590 3.916 -8.310 1.00 53.32 C ATOM 1416 C PRO A 92 12.779 3.687 -6.799 1.00 12.43 C ATOM 1417 O PRO A 92 11.835 3.832 -6.026 1.00 54.53 O ATOM 1418 CB PRO A 92 12.350 5.411 -8.595 1.00 15.43 C ATOM 1419 CG PRO A 92 11.306 5.443 -9.663 1.00 22.23 C ATOM 1420 CD PRO A 92 10.433 4.242 -9.420 1.00 61.30 C ATOM 0 HA PRO A 92 13.494 3.515 -8.769 1.00 53.32 H new ATOM 0 HB2 PRO A 92 12.014 5.934 -7.700 1.00 15.43 H new ATOM 0 HB3 PRO A 92 13.266 5.901 -8.925 1.00 15.43 H new ATOM 0 HG2 PRO A 92 10.726 6.364 -9.615 1.00 22.23 H new ATOM 0 HG3 PRO A 92 11.759 5.403 -10.654 1.00 22.23 H new ATOM 0 HD2 PRO A 92 9.619 4.468 -8.731 1.00 61.30 H new ATOM 0 HD3 PRO A 92 9.979 3.880 -10.342 1.00 61.30 H new ATOM 1428 N LYS A 93 14.004 3.345 -6.382 1.00 53.22 N ATOM 1429 CA LYS A 93 14.289 3.013 -4.972 1.00 41.03 C ATOM 1430 C LYS A 93 13.826 4.129 -4.016 1.00 73.11 C ATOM 1431 O LYS A 93 14.090 5.312 -4.251 1.00 52.23 O ATOM 1432 CB LYS A 93 15.789 2.733 -4.786 1.00 53.24 C ATOM 1433 CG LYS A 93 16.148 2.200 -3.398 1.00 74.43 C ATOM 1434 CD LYS A 93 17.614 1.785 -3.300 1.00 42.45 C ATOM 1435 CE LYS A 93 17.933 1.146 -1.952 1.00 33.53 C ATOM 1436 NZ LYS A 93 19.354 0.710 -1.870 1.00 21.33 N ATOM 0 H LYS A 93 14.816 3.290 -6.997 1.00 53.22 H new ATOM 0 HA LYS A 93 13.724 2.115 -4.722 1.00 41.03 H new ATOM 0 HB2 LYS A 93 16.111 2.011 -5.537 1.00 53.24 H new ATOM 0 HB3 LYS A 93 16.346 3.652 -4.968 1.00 53.24 H new ATOM 0 HG2 LYS A 93 15.939 2.966 -2.651 1.00 74.43 H new ATOM 0 HG3 LYS A 93 15.514 1.345 -3.164 1.00 74.43 H new ATOM 0 HD2 LYS A 93 17.847 1.082 -4.100 1.00 42.45 H new ATOM 0 HD3 LYS A 93 18.250 2.658 -3.448 1.00 42.45 H new ATOM 0 HE2 LYS A 93 17.725 1.858 -1.154 1.00 33.53 H new ATOM 0 HE3 LYS A 93 17.280 0.288 -1.793 1.00 33.53 H new ATOM 0 HZ1 LYS A 93 19.403 -0.327 -1.926 1.00 21.33 H new ATOM 0 HZ2 LYS A 93 19.891 1.125 -2.658 1.00 21.33 H new ATOM 0 HZ3 LYS A 93 19.763 1.027 -0.968 1.00 21.33 H new ATOM 1450 N GLY A 94 13.158 3.750 -2.924 1.00 44.40 N ATOM 1451 CA GLY A 94 12.544 4.741 -2.043 1.00 63.24 C ATOM 1452 C GLY A 94 11.244 5.318 -2.615 1.00 42.11 C ATOM 1453 O GLY A 94 10.860 6.456 -2.316 1.00 73.25 O ATOM 0 H GLY A 94 13.031 2.781 -2.633 1.00 44.40 H new ATOM 0 HA2 GLY A 94 12.338 4.283 -1.076 1.00 63.24 H new ATOM 0 HA3 GLY A 94 13.250 5.552 -1.868 1.00 63.24 H new ATOM 1457 N MET A 95 10.561 4.529 -3.435 1.00 64.41 N ATOM 1458 CA MET A 95 9.310 4.946 -4.061 1.00 1.23 C ATOM 1459 C MET A 95 8.455 3.707 -4.371 1.00 54.42 C ATOM 1460 O MET A 95 8.965 2.718 -4.893 1.00 31.40 O ATOM 1461 CB MET A 95 9.648 5.718 -5.340 1.00 11.53 C ATOM 1462 CG MET A 95 8.485 6.440 -5.979 1.00 64.32 C ATOM 1463 SD MET A 95 9.027 7.456 -7.370 1.00 42.01 S ATOM 1464 CE MET A 95 7.550 8.400 -7.720 1.00 42.43 C ATOM 0 H MET A 95 10.856 3.585 -3.685 1.00 64.41 H new ATOM 0 HA MET A 95 8.738 5.591 -3.394 1.00 1.23 H new ATOM 0 HB2 MET A 95 10.426 6.446 -5.111 1.00 11.53 H new ATOM 0 HB3 MET A 95 10.067 5.021 -6.066 1.00 11.53 H new ATOM 0 HG2 MET A 95 7.748 5.714 -6.322 1.00 64.32 H new ATOM 0 HG3 MET A 95 7.992 7.069 -5.237 1.00 64.32 H new ATOM 0 HE1 MET A 95 7.144 8.096 -8.685 1.00 42.43 H new ATOM 0 HE2 MET A 95 6.809 8.219 -6.941 1.00 42.43 H new ATOM 0 HE3 MET A 95 7.795 9.462 -7.748 1.00 42.43 H new ATOM 1474 N ILE A 96 7.159 3.760 -4.064 1.00 5.10 N ATOM 1475 CA ILE A 96 6.289 2.585 -4.223 1.00 12.45 C ATOM 1476 C ILE A 96 5.031 2.905 -5.040 1.00 1.44 C ATOM 1477 O ILE A 96 4.464 3.996 -4.948 1.00 61.24 O ATOM 1478 CB ILE A 96 5.868 1.986 -2.852 1.00 43.34 C ATOM 1479 CG1 ILE A 96 5.065 3.006 -2.024 1.00 70.31 C ATOM 1480 CG2 ILE A 96 7.098 1.509 -2.076 1.00 0.13 C ATOM 1481 CD1 ILE A 96 4.552 2.453 -0.710 1.00 45.13 C ATOM 0 H ILE A 96 6.688 4.592 -3.707 1.00 5.10 H new ATOM 0 HA ILE A 96 6.881 1.848 -4.765 1.00 12.45 H new ATOM 0 HB ILE A 96 5.223 1.128 -3.042 1.00 43.34 H new ATOM 0 HG12 ILE A 96 5.694 3.873 -1.823 1.00 70.31 H new ATOM 0 HG13 ILE A 96 4.219 3.356 -2.616 1.00 70.31 H new ATOM 0 HG21 ILE A 96 6.785 1.092 -1.119 1.00 0.13 H new ATOM 0 HG22 ILE A 96 7.618 0.744 -2.652 1.00 0.13 H new ATOM 0 HG23 ILE A 96 7.769 2.351 -1.904 1.00 0.13 H new ATOM 0 HD11 ILE A 96 3.996 3.228 -0.181 1.00 45.13 H new ATOM 0 HD12 ILE A 96 3.896 1.604 -0.904 1.00 45.13 H new ATOM 0 HD13 ILE A 96 5.394 2.129 -0.098 1.00 45.13 H new ATOM 1493 N PHE A 97 4.596 1.937 -5.839 1.00 62.54 N ATOM 1494 CA PHE A 97 3.431 2.110 -6.708 1.00 33.42 C ATOM 1495 C PHE A 97 2.205 1.362 -6.164 1.00 62.41 C ATOM 1496 O PHE A 97 2.230 0.141 -6.006 1.00 23.04 O ATOM 1497 CB PHE A 97 3.762 1.610 -8.123 1.00 55.03 C ATOM 1498 CG PHE A 97 2.606 1.702 -9.090 1.00 71.05 C ATOM 1499 CD1 PHE A 97 2.368 2.874 -9.797 1.00 32.03 C ATOM 1500 CD2 PHE A 97 1.758 0.620 -9.292 1.00 34.52 C ATOM 1501 CE1 PHE A 97 1.313 2.962 -10.680 1.00 71.42 C ATOM 1502 CE2 PHE A 97 0.701 0.706 -10.176 1.00 63.34 C ATOM 1503 CZ PHE A 97 0.478 1.877 -10.870 1.00 33.31 C ATOM 0 H PHE A 97 5.034 1.018 -5.905 1.00 62.54 H new ATOM 0 HA PHE A 97 3.188 3.172 -6.739 1.00 33.42 H new ATOM 0 HB2 PHE A 97 4.598 2.188 -8.516 1.00 55.03 H new ATOM 0 HB3 PHE A 97 4.092 0.573 -8.063 1.00 55.03 H new ATOM 0 HD1 PHE A 97 3.017 3.725 -9.653 1.00 32.03 H new ATOM 0 HD2 PHE A 97 1.928 -0.299 -8.751 1.00 34.52 H new ATOM 0 HE1 PHE A 97 1.139 3.879 -11.223 1.00 71.42 H new ATOM 0 HE2 PHE A 97 0.050 -0.143 -10.324 1.00 63.34 H new ATOM 0 HZ PHE A 97 -0.349 1.946 -11.562 1.00 33.31 H new ATOM 1513 N ILE A 98 1.139 2.101 -5.874 1.00 23.23 N ATOM 1514 CA ILE A 98 -0.143 1.503 -5.495 1.00 32.15 C ATOM 1515 C ILE A 98 -1.219 1.870 -6.531 1.00 53.33 C ATOM 1516 O ILE A 98 -1.365 3.033 -6.893 1.00 63.14 O ATOM 1517 CB ILE A 98 -0.599 1.972 -4.085 1.00 4.12 C ATOM 1518 CG1 ILE A 98 0.443 1.572 -3.024 1.00 64.24 C ATOM 1519 CG2 ILE A 98 -1.976 1.396 -3.740 1.00 20.22 C ATOM 1520 CD1 ILE A 98 0.045 1.920 -1.602 1.00 51.41 C ATOM 0 H ILE A 98 1.135 3.121 -5.894 1.00 23.23 H new ATOM 0 HA ILE A 98 -0.009 0.422 -5.466 1.00 32.15 H new ATOM 0 HB ILE A 98 -0.682 3.059 -4.093 1.00 4.12 H new ATOM 0 HG12 ILE A 98 0.617 0.498 -3.088 1.00 64.24 H new ATOM 0 HG13 ILE A 98 1.388 2.063 -3.256 1.00 64.24 H new ATOM 0 HG21 ILE A 98 -2.275 1.737 -2.749 1.00 20.22 H new ATOM 0 HG22 ILE A 98 -2.706 1.733 -4.476 1.00 20.22 H new ATOM 0 HG23 ILE A 98 -1.928 0.307 -3.750 1.00 20.22 H new ATOM 0 HD11 ILE A 98 0.832 1.605 -0.917 1.00 51.41 H new ATOM 0 HD12 ILE A 98 -0.100 2.997 -1.518 1.00 51.41 H new ATOM 0 HD13 ILE A 98 -0.883 1.408 -1.348 1.00 51.41 H new ATOM 1532 N PRO A 99 -1.962 0.884 -7.060 1.00 1.44 N ATOM 1533 CA PRO A 99 -3.063 1.154 -8.001 1.00 71.43 C ATOM 1534 C PRO A 99 -4.134 2.089 -7.406 1.00 0.51 C ATOM 1535 O PRO A 99 -4.465 1.999 -6.222 1.00 35.52 O ATOM 1536 CB PRO A 99 -3.647 -0.238 -8.275 1.00 43.52 C ATOM 1537 CG PRO A 99 -2.536 -1.182 -7.957 1.00 73.41 C ATOM 1538 CD PRO A 99 -1.783 -0.556 -6.817 1.00 65.41 C ATOM 0 HA PRO A 99 -2.715 1.667 -8.898 1.00 71.43 H new ATOM 0 HB2 PRO A 99 -4.521 -0.431 -7.653 1.00 43.52 H new ATOM 0 HB3 PRO A 99 -3.966 -0.337 -9.313 1.00 43.52 H new ATOM 0 HG2 PRO A 99 -2.923 -2.162 -7.679 1.00 73.41 H new ATOM 0 HG3 PRO A 99 -1.888 -1.328 -8.821 1.00 73.41 H new ATOM 0 HD2 PRO A 99 -2.188 -0.857 -5.851 1.00 65.41 H new ATOM 0 HD3 PRO A 99 -0.731 -0.840 -6.823 1.00 65.41 H new ATOM 1546 N MET A 100 -4.669 2.985 -8.237 1.00 22.15 N ATOM 1547 CA MET A 100 -5.697 3.939 -7.806 1.00 25.05 C ATOM 1548 C MET A 100 -6.906 3.221 -7.180 1.00 63.04 C ATOM 1549 O MET A 100 -7.743 2.660 -7.886 1.00 72.43 O ATOM 1550 CB MET A 100 -6.145 4.790 -9.005 1.00 20.24 C ATOM 1551 CG MET A 100 -7.219 5.836 -8.696 1.00 5.14 C ATOM 1552 SD MET A 100 -6.638 7.187 -7.640 1.00 23.41 S ATOM 1553 CE MET A 100 -6.787 6.486 -5.998 1.00 22.23 C ATOM 0 H MET A 100 -4.406 3.071 -9.219 1.00 22.15 H new ATOM 0 HA MET A 100 -5.266 4.585 -7.041 1.00 25.05 H new ATOM 0 HB2 MET A 100 -5.273 5.298 -9.416 1.00 20.24 H new ATOM 0 HB3 MET A 100 -6.521 4.125 -9.782 1.00 20.24 H new ATOM 0 HG2 MET A 100 -7.588 6.252 -9.633 1.00 5.14 H new ATOM 0 HG3 MET A 100 -8.063 5.345 -8.211 1.00 5.14 H new ATOM 0 HE1 MET A 100 -7.076 7.266 -5.294 1.00 22.23 H new ATOM 0 HE2 MET A 100 -7.546 5.704 -6.004 1.00 22.23 H new ATOM 0 HE3 MET A 100 -5.830 6.061 -5.696 1.00 22.23 H new ATOM 1563 N GLY A 101 -6.984 3.237 -5.849 1.00 60.34 N ATOM 1564 CA GLY A 101 -8.081 2.560 -5.160 1.00 74.54 C ATOM 1565 C GLY A 101 -8.320 3.074 -3.745 1.00 40.34 C ATOM 1566 O GLY A 101 -7.599 3.956 -3.275 1.00 20.14 O ATOM 0 H GLY A 101 -6.314 3.702 -5.237 1.00 60.34 H new ATOM 0 HA2 GLY A 101 -8.995 2.682 -5.741 1.00 74.54 H new ATOM 0 HA3 GLY A 101 -7.869 1.492 -5.119 1.00 74.54 H new ATOM 1570 N PRO A 102 -9.317 2.520 -3.022 1.00 53.01 N ATOM 1571 CA PRO A 102 -9.672 2.990 -1.673 1.00 14.21 C ATOM 1572 C PRO A 102 -8.534 2.787 -0.672 1.00 24.31 C ATOM 1573 O PRO A 102 -8.418 3.520 0.306 1.00 73.00 O ATOM 1574 CB PRO A 102 -10.898 2.147 -1.302 1.00 2.55 C ATOM 1575 CG PRO A 102 -10.802 0.932 -2.165 1.00 34.10 C ATOM 1576 CD PRO A 102 -10.160 1.390 -3.449 1.00 63.22 C ATOM 0 HA PRO A 102 -9.871 4.062 -1.652 1.00 14.21 H new ATOM 0 HB2 PRO A 102 -10.891 1.883 -0.245 1.00 2.55 H new ATOM 0 HB3 PRO A 102 -11.824 2.692 -1.488 1.00 2.55 H new ATOM 0 HG2 PRO A 102 -10.205 0.157 -1.684 1.00 34.10 H new ATOM 0 HG3 PRO A 102 -11.788 0.506 -2.351 1.00 34.10 H new ATOM 0 HD2 PRO A 102 -9.569 0.598 -3.908 1.00 63.22 H new ATOM 0 HD3 PRO A 102 -10.904 1.698 -4.183 1.00 63.22 H new ATOM 1584 N TYR A 103 -7.687 1.800 -0.946 1.00 14.51 N ATOM 1585 CA TYR A 103 -6.473 1.578 -0.161 1.00 23.22 C ATOM 1586 C TYR A 103 -5.570 2.807 -0.268 1.00 24.14 C ATOM 1587 O TYR A 103 -5.106 3.360 0.730 1.00 45.33 O ATOM 1588 CB TYR A 103 -5.743 0.321 -0.665 1.00 15.52 C ATOM 1589 CG TYR A 103 -6.581 -0.942 -0.551 1.00 3.32 C ATOM 1590 CD1 TYR A 103 -7.655 -1.166 -1.408 1.00 73.33 C ATOM 1591 CD2 TYR A 103 -6.316 -1.894 0.426 1.00 34.01 C ATOM 1592 CE1 TYR A 103 -8.433 -2.300 -1.294 1.00 3.52 C ATOM 1593 CE2 TYR A 103 -7.091 -3.028 0.546 1.00 35.52 C ATOM 1594 CZ TYR A 103 -8.150 -3.225 -0.315 1.00 43.12 C ATOM 1595 OH TYR A 103 -8.931 -4.351 -0.191 1.00 71.03 O ATOM 0 H TYR A 103 -7.818 1.137 -1.710 1.00 14.51 H new ATOM 0 HA TYR A 103 -6.736 1.423 0.885 1.00 23.22 H new ATOM 0 HB2 TYR A 103 -5.457 0.467 -1.707 1.00 15.52 H new ATOM 0 HB3 TYR A 103 -4.822 0.191 -0.097 1.00 15.52 H new ATOM 0 HD1 TYR A 103 -7.883 -0.440 -2.175 1.00 73.33 H new ATOM 0 HD2 TYR A 103 -5.488 -1.743 1.103 1.00 34.01 H new ATOM 0 HE1 TYR A 103 -9.260 -2.461 -1.970 1.00 3.52 H new ATOM 0 HE2 TYR A 103 -6.870 -3.758 1.310 1.00 35.52 H new ATOM 0 HH TYR A 103 -8.434 -5.042 0.294 1.00 71.03 H new ATOM 1605 N ALA A 104 -5.362 3.250 -1.501 1.00 65.33 N ATOM 1606 CA ALA A 104 -4.643 4.489 -1.764 1.00 63.43 C ATOM 1607 C ALA A 104 -5.394 5.708 -1.190 1.00 1.15 C ATOM 1608 O ALA A 104 -4.772 6.658 -0.728 1.00 73.15 O ATOM 1609 CB ALA A 104 -4.414 4.654 -3.264 1.00 3.30 C ATOM 0 H ALA A 104 -5.683 2.766 -2.339 1.00 65.33 H new ATOM 0 HA ALA A 104 -3.676 4.434 -1.263 1.00 63.43 H new ATOM 0 HB1 ALA A 104 -3.876 5.583 -3.450 1.00 3.30 H new ATOM 0 HB2 ALA A 104 -3.828 3.814 -3.637 1.00 3.30 H new ATOM 0 HB3 ALA A 104 -5.375 4.682 -3.778 1.00 3.30 H new ATOM 1615 N ASN A 105 -6.733 5.665 -1.185 1.00 22.11 N ATOM 1616 CA ASN A 105 -7.541 6.793 -0.678 1.00 65.33 C ATOM 1617 C ASN A 105 -7.289 7.051 0.819 1.00 3.52 C ATOM 1618 O ASN A 105 -7.703 8.078 1.360 1.00 62.53 O ATOM 1619 CB ASN A 105 -9.047 6.557 -0.901 1.00 23.14 C ATOM 1620 CG ASN A 105 -9.428 6.342 -2.359 1.00 51.34 C ATOM 1621 OD1 ASN A 105 -10.481 5.794 -2.661 1.00 34.23 O ATOM 1622 ND2 ASN A 105 -8.570 6.726 -3.275 1.00 40.52 N ATOM 0 H ASN A 105 -7.279 4.872 -1.522 1.00 22.11 H new ATOM 0 HA ASN A 105 -7.229 7.670 -1.245 1.00 65.33 H new ATOM 0 HB2 ASN A 105 -9.358 5.687 -0.322 1.00 23.14 H new ATOM 0 HB3 ASN A 105 -9.600 7.412 -0.513 1.00 23.14 H new ATOM 0 HD21 ASN A 105 -8.774 6.570 -4.262 1.00 40.52 H new ATOM 0 HD22 ASN A 105 -7.699 7.181 -3.000 1.00 40.52 H new ATOM 1629 N MET A 106 -6.624 6.108 1.482 1.00 75.02 N ATOM 1630 CA MET A 106 -6.303 6.242 2.906 1.00 55.51 C ATOM 1631 C MET A 106 -4.951 6.940 3.114 1.00 23.30 C ATOM 1632 O MET A 106 -4.645 7.390 4.214 1.00 63.32 O ATOM 1633 CB MET A 106 -6.283 4.859 3.575 1.00 71.42 C ATOM 1634 CG MET A 106 -7.461 3.980 3.183 1.00 41.13 C ATOM 1635 SD MET A 106 -7.520 2.426 4.099 1.00 34.31 S ATOM 1636 CE MET A 106 -7.958 2.996 5.740 1.00 54.54 C ATOM 0 H MET A 106 -6.295 5.241 1.058 1.00 75.02 H new ATOM 0 HA MET A 106 -7.076 6.858 3.365 1.00 55.51 H new ATOM 0 HB2 MET A 106 -5.356 4.350 3.312 1.00 71.42 H new ATOM 0 HB3 MET A 106 -6.280 4.987 4.657 1.00 71.42 H new ATOM 0 HG2 MET A 106 -8.388 4.529 3.350 1.00 41.13 H new ATOM 0 HG3 MET A 106 -7.406 3.764 2.116 1.00 41.13 H new ATOM 0 HE1 MET A 106 -7.193 2.682 6.450 1.00 54.54 H new ATOM 0 HE2 MET A 106 -8.029 4.084 5.740 1.00 54.54 H new ATOM 0 HE3 MET A 106 -8.919 2.570 6.029 1.00 54.54 H new ATOM 1646 N VAL A 107 -4.145 7.036 2.052 1.00 32.55 N ATOM 1647 CA VAL A 107 -2.790 7.598 2.161 1.00 73.31 C ATOM 1648 C VAL A 107 -2.510 8.702 1.123 1.00 63.44 C ATOM 1649 O VAL A 107 -1.541 9.449 1.256 1.00 44.53 O ATOM 1650 CB VAL A 107 -1.709 6.492 2.028 1.00 4.41 C ATOM 1651 CG1 VAL A 107 -1.777 5.520 3.204 1.00 2.21 C ATOM 1652 CG2 VAL A 107 -1.852 5.746 0.702 1.00 51.11 C ATOM 0 H VAL A 107 -4.402 6.735 1.112 1.00 32.55 H new ATOM 0 HA VAL A 107 -2.739 8.048 3.152 1.00 73.31 H new ATOM 0 HB VAL A 107 -0.732 6.975 2.042 1.00 4.41 H new ATOM 0 HG11 VAL A 107 -1.010 4.754 3.088 1.00 2.21 H new ATOM 0 HG12 VAL A 107 -1.610 6.063 4.135 1.00 2.21 H new ATOM 0 HG13 VAL A 107 -2.759 5.048 3.230 1.00 2.21 H new ATOM 0 HG21 VAL A 107 -1.083 4.976 0.633 1.00 51.11 H new ATOM 0 HG22 VAL A 107 -2.837 5.281 0.650 1.00 51.11 H new ATOM 0 HG23 VAL A 107 -1.738 6.448 -0.124 1.00 51.11 H new ATOM 1662 N ILE A 108 -3.345 8.814 0.098 1.00 23.30 N ATOM 1663 CA ILE A 108 -3.144 9.835 -0.937 1.00 64.03 C ATOM 1664 C ILE A 108 -4.124 11.007 -0.782 1.00 75.52 C ATOM 1665 O ILE A 108 -4.981 11.007 0.102 1.00 51.23 O ATOM 1666 CB ILE A 108 -3.289 9.258 -2.365 1.00 62.22 C ATOM 1667 CG1 ILE A 108 -4.762 9.074 -2.741 1.00 22.01 C ATOM 1668 CG2 ILE A 108 -2.542 7.931 -2.501 1.00 35.45 C ATOM 1669 CD1 ILE A 108 -4.950 8.843 -4.212 1.00 62.25 C ATOM 0 H ILE A 108 -4.162 8.220 -0.044 1.00 23.30 H new ATOM 0 HA ILE A 108 -2.124 10.194 -0.800 1.00 64.03 H new ATOM 0 HB ILE A 108 -2.845 9.977 -3.053 1.00 62.22 H new ATOM 0 HG12 ILE A 108 -5.173 8.230 -2.187 1.00 22.01 H new ATOM 0 HG13 ILE A 108 -5.325 9.957 -2.439 1.00 22.01 H new ATOM 0 HG21 ILE A 108 -2.661 7.549 -3.515 1.00 35.45 H new ATOM 0 HG22 ILE A 108 -1.483 8.087 -2.294 1.00 35.45 H new ATOM 0 HG23 ILE A 108 -2.948 7.210 -1.791 1.00 35.45 H new ATOM 0 HD11 ILE A 108 -6.011 8.718 -4.428 1.00 62.25 H new ATOM 0 HD12 ILE A 108 -4.565 9.698 -4.767 1.00 62.25 H new ATOM 0 HD13 ILE A 108 -4.411 7.944 -4.511 1.00 62.25 H new ATOM 1681 N ASP A 109 -3.990 12.002 -1.657 1.00 42.12 N ATOM 1682 CA ASP A 109 -4.917 13.136 -1.699 1.00 25.44 C ATOM 1683 C ASP A 109 -6.076 12.851 -2.676 1.00 41.13 C ATOM 1684 O ASP A 109 -5.872 12.782 -3.886 1.00 74.12 O ATOM 1685 CB ASP A 109 -4.166 14.405 -2.122 1.00 40.12 C ATOM 1686 CG ASP A 109 -5.058 15.635 -2.152 1.00 3.31 C ATOM 1687 OD1 ASP A 109 -5.742 15.860 -3.173 1.00 43.34 O ATOM 1688 OD2 ASP A 109 -5.071 16.389 -1.163 1.00 22.02 O ATOM 0 H ASP A 109 -3.244 12.047 -2.351 1.00 42.12 H new ATOM 0 HA ASP A 109 -5.336 13.285 -0.704 1.00 25.44 H new ATOM 0 HB2 ASP A 109 -3.339 14.578 -1.434 1.00 40.12 H new ATOM 0 HB3 ASP A 109 -3.732 14.252 -3.110 1.00 40.12 H new ATOM 1862 N GLY A 122 3.790 10.590 -6.868 1.00 53.42 N ATOM 1863 CA GLY A 122 2.686 10.283 -5.972 1.00 22.11 C ATOM 1864 C GLY A 122 2.759 11.047 -4.653 1.00 54.53 C ATOM 1865 O GLY A 122 3.493 12.030 -4.528 1.00 5.32 O ATOM 0 HA2 GLY A 122 1.745 10.518 -6.470 1.00 22.11 H new ATOM 0 HA3 GLY A 122 2.679 9.213 -5.766 1.00 22.11 H new ATOM 1869 N VAL A 123 1.992 10.592 -3.669 1.00 74.32 N ATOM 1870 CA VAL A 123 1.992 11.198 -2.328 1.00 30.32 C ATOM 1871 C VAL A 123 3.055 10.556 -1.414 1.00 31.54 C ATOM 1872 O VAL A 123 3.050 9.349 -1.196 1.00 33.44 O ATOM 1873 CB VAL A 123 0.603 11.059 -1.662 1.00 33.34 C ATOM 1874 CG1 VAL A 123 0.605 11.651 -0.253 1.00 22.31 C ATOM 1875 CG2 VAL A 123 -0.478 11.708 -2.530 1.00 1.11 C ATOM 0 H VAL A 123 1.356 9.801 -3.769 1.00 74.32 H new ATOM 0 HA VAL A 123 2.232 12.253 -2.457 1.00 30.32 H new ATOM 0 HB VAL A 123 0.375 9.997 -1.573 1.00 33.34 H new ATOM 0 HG11 VAL A 123 -0.385 11.539 0.190 1.00 22.31 H new ATOM 0 HG12 VAL A 123 1.339 11.128 0.360 1.00 22.31 H new ATOM 0 HG13 VAL A 123 0.862 12.709 -0.303 1.00 22.31 H new ATOM 0 HG21 VAL A 123 -1.448 11.600 -2.045 1.00 1.11 H new ATOM 0 HG22 VAL A 123 -0.253 12.767 -2.660 1.00 1.11 H new ATOM 0 HG23 VAL A 123 -0.504 11.220 -3.504 1.00 1.11 H new ATOM 1885 N LYS A 124 3.954 11.374 -0.867 1.00 41.30 N ATOM 1886 CA LYS A 124 5.051 10.871 -0.021 1.00 51.20 C ATOM 1887 C LYS A 124 4.546 10.259 1.301 1.00 31.03 C ATOM 1888 O LYS A 124 3.525 10.678 1.850 1.00 30.10 O ATOM 1889 CB LYS A 124 6.052 11.996 0.278 1.00 73.51 C ATOM 1890 CG LYS A 124 6.725 12.575 -0.964 1.00 62.52 C ATOM 1891 CD LYS A 124 7.782 13.618 -0.603 1.00 23.11 C ATOM 1892 CE LYS A 124 8.459 14.207 -1.839 1.00 62.34 C ATOM 1893 NZ LYS A 124 9.088 13.161 -2.685 1.00 42.54 N ATOM 0 H LYS A 124 3.950 12.386 -0.991 1.00 41.30 H new ATOM 0 HA LYS A 124 5.544 10.077 -0.582 1.00 51.20 H new ATOM 0 HB2 LYS A 124 5.535 12.798 0.806 1.00 73.51 H new ATOM 0 HB3 LYS A 124 6.820 11.615 0.951 1.00 73.51 H new ATOM 0 HG2 LYS A 124 7.189 11.770 -1.535 1.00 62.52 H new ATOM 0 HG3 LYS A 124 5.971 13.029 -1.607 1.00 62.52 H new ATOM 0 HD2 LYS A 124 7.317 14.420 -0.029 1.00 23.11 H new ATOM 0 HD3 LYS A 124 8.536 13.162 0.039 1.00 23.11 H new ATOM 0 HE2 LYS A 124 7.723 14.755 -2.428 1.00 62.34 H new ATOM 0 HE3 LYS A 124 9.217 14.926 -1.528 1.00 62.34 H new ATOM 0 HZ1 LYS A 124 9.871 13.578 -3.228 1.00 42.54 H new ATOM 0 HZ2 LYS A 124 9.453 12.398 -2.080 1.00 42.54 H new ATOM 0 HZ3 LYS A 124 8.380 12.773 -3.341 1.00 42.54 H new ATOM 1907 N GLY A 125 5.288 9.270 1.808 1.00 22.41 N ATOM 1908 CA GLY A 125 4.929 8.599 3.055 1.00 31.00 C ATOM 1909 C GLY A 125 5.937 7.520 3.465 1.00 2.20 C ATOM 1910 O GLY A 125 7.102 7.566 3.074 1.00 55.52 O ATOM 0 H GLY A 125 6.140 8.918 1.372 1.00 22.41 H new ATOM 0 HA2 GLY A 125 4.854 9.340 3.851 1.00 31.00 H new ATOM 0 HA3 GLY A 125 3.944 8.146 2.947 1.00 31.00 H new ATOM 1914 N THR A 126 5.491 6.546 4.258 1.00 34.13 N ATOM 1915 CA THR A 126 6.355 5.437 4.706 1.00 64.12 C ATOM 1916 C THR A 126 5.680 4.074 4.514 1.00 54.12 C ATOM 1917 O THR A 126 4.456 3.985 4.395 1.00 0.04 O ATOM 1918 CB THR A 126 6.743 5.572 6.200 1.00 54.30 C ATOM 1919 OG1 THR A 126 5.565 5.632 7.018 1.00 60.23 O ATOM 1920 CG2 THR A 126 7.597 6.812 6.446 1.00 3.42 C ATOM 0 H THR A 126 4.534 6.496 4.608 1.00 34.13 H new ATOM 0 HA THR A 126 7.251 5.495 4.088 1.00 64.12 H new ATOM 0 HB THR A 126 7.329 4.693 6.467 1.00 54.30 H new ATOM 0 HG1 THR A 126 5.824 5.651 7.963 1.00 60.23 H new ATOM 0 HG21 THR A 126 7.851 6.875 7.504 1.00 3.42 H new ATOM 0 HG22 THR A 126 8.512 6.747 5.857 1.00 3.42 H new ATOM 0 HG23 THR A 126 7.040 7.702 6.153 1.00 3.42 H new ATOM 1928 N VAL A 127 6.489 3.012 4.483 1.00 45.43 N ATOM 1929 CA VAL A 127 5.973 1.643 4.347 1.00 71.11 C ATOM 1930 C VAL A 127 6.886 0.617 5.051 1.00 24.42 C ATOM 1931 O VAL A 127 8.111 0.770 5.071 1.00 3.30 O ATOM 1932 CB VAL A 127 5.823 1.256 2.848 1.00 51.30 C ATOM 1933 CG1 VAL A 127 7.174 1.293 2.134 1.00 33.33 C ATOM 1934 CG2 VAL A 127 5.161 -0.113 2.696 1.00 53.22 C ATOM 0 H VAL A 127 7.505 3.072 4.550 1.00 45.43 H new ATOM 0 HA VAL A 127 4.995 1.622 4.827 1.00 71.11 H new ATOM 0 HB VAL A 127 5.174 1.995 2.377 1.00 51.30 H new ATOM 0 HG11 VAL A 127 7.040 1.018 1.088 1.00 33.33 H new ATOM 0 HG12 VAL A 127 7.590 2.299 2.195 1.00 33.33 H new ATOM 0 HG13 VAL A 127 7.856 0.589 2.610 1.00 33.33 H new ATOM 0 HG21 VAL A 127 5.069 -0.357 1.638 1.00 53.22 H new ATOM 0 HG22 VAL A 127 5.770 -0.869 3.191 1.00 53.22 H new ATOM 0 HG23 VAL A 127 4.171 -0.091 3.150 1.00 53.22 H new ATOM 1944 N GLU A 128 6.275 -0.416 5.635 1.00 65.12 N ATOM 1945 CA GLU A 128 7.016 -1.548 6.217 1.00 32.12 C ATOM 1946 C GLU A 128 6.083 -2.744 6.475 1.00 21.01 C ATOM 1947 O GLU A 128 4.859 -2.620 6.391 1.00 54.13 O ATOM 1948 CB GLU A 128 7.741 -1.150 7.519 1.00 72.34 C ATOM 1949 CG GLU A 128 6.820 -0.769 8.679 1.00 22.42 C ATOM 1950 CD GLU A 128 7.585 -0.543 9.983 1.00 2.52 C ATOM 1951 OE1 GLU A 128 8.146 -1.524 10.527 1.00 42.42 O ATOM 1952 OE2 GLU A 128 7.642 0.610 10.457 1.00 11.41 O ATOM 0 H GLU A 128 5.262 -0.496 5.720 1.00 65.12 H new ATOM 0 HA GLU A 128 7.771 -1.843 5.489 1.00 32.12 H new ATOM 0 HB2 GLU A 128 8.373 -1.980 7.834 1.00 72.34 H new ATOM 0 HB3 GLU A 128 8.401 -0.309 7.307 1.00 72.34 H new ATOM 0 HG2 GLU A 128 6.272 0.137 8.421 1.00 22.42 H new ATOM 0 HG3 GLU A 128 6.082 -1.557 8.826 1.00 22.42 H new ATOM 1959 N LYS A 129 6.670 -3.901 6.778 1.00 44.33 N ATOM 1960 CA LYS A 129 5.896 -5.125 7.022 1.00 22.53 C ATOM 1961 C LYS A 129 5.082 -5.047 8.323 1.00 53.42 C ATOM 1962 O LYS A 129 5.486 -4.404 9.290 1.00 41.11 O ATOM 1963 CB LYS A 129 6.828 -6.348 7.067 1.00 22.31 C ATOM 1964 CG LYS A 129 6.136 -7.627 7.546 1.00 44.10 C ATOM 1965 CD LYS A 129 7.023 -8.860 7.411 1.00 60.31 C ATOM 1966 CE LYS A 129 7.266 -9.223 5.953 1.00 71.44 C ATOM 1967 NZ LYS A 129 7.921 -10.550 5.801 1.00 42.13 N ATOM 0 H LYS A 129 7.680 -4.020 6.861 1.00 44.33 H new ATOM 0 HA LYS A 129 5.193 -5.229 6.195 1.00 22.53 H new ATOM 0 HB2 LYS A 129 7.239 -6.518 6.072 1.00 22.31 H new ATOM 0 HB3 LYS A 129 7.668 -6.130 7.726 1.00 22.31 H new ATOM 0 HG2 LYS A 129 5.842 -7.508 8.589 1.00 44.10 H new ATOM 0 HG3 LYS A 129 5.221 -7.777 6.972 1.00 44.10 H new ATOM 0 HD2 LYS A 129 7.978 -8.677 7.904 1.00 60.31 H new ATOM 0 HD3 LYS A 129 6.556 -9.702 7.922 1.00 60.31 H new ATOM 0 HE2 LYS A 129 6.316 -9.226 5.419 1.00 71.44 H new ATOM 0 HE3 LYS A 129 7.889 -8.458 5.490 1.00 71.44 H new ATOM 0 HZ1 LYS A 129 7.445 -11.088 5.048 1.00 42.13 H new ATOM 0 HZ2 LYS A 129 8.922 -10.417 5.552 1.00 42.13 H new ATOM 0 HZ3 LYS A 129 7.854 -11.075 6.696 1.00 42.13 H new ATOM 1981 N THR A 130 3.932 -5.714 8.334 1.00 33.42 N ATOM 1982 CA THR A 130 3.090 -5.808 9.536 1.00 23.05 C ATOM 1983 C THR A 130 2.374 -7.160 9.604 1.00 32.21 C ATOM 1984 O THR A 130 2.168 -7.817 8.584 1.00 14.02 O ATOM 1985 CB THR A 130 2.028 -4.681 9.595 1.00 74.34 C ATOM 1986 OG1 THR A 130 1.173 -4.876 10.736 1.00 25.41 O ATOM 1987 CG2 THR A 130 1.182 -4.650 8.325 1.00 34.35 C ATOM 0 H THR A 130 3.555 -6.202 7.522 1.00 33.42 H new ATOM 0 HA THR A 130 3.762 -5.702 10.387 1.00 23.05 H new ATOM 0 HB THR A 130 2.551 -3.729 9.682 1.00 74.34 H new ATOM 0 HG1 THR A 130 0.785 -4.017 11.004 1.00 25.41 H new ATOM 0 HG21 THR A 130 0.446 -3.849 8.397 1.00 34.35 H new ATOM 0 HG22 THR A 130 1.826 -4.475 7.463 1.00 34.35 H new ATOM 0 HG23 THR A 130 0.669 -5.604 8.206 1.00 34.35 H new ATOM 1995 N ASP A 131 1.999 -7.575 10.808 1.00 23.32 N ATOM 1996 CA ASP A 131 1.282 -8.840 11.004 1.00 11.21 C ATOM 1997 C ASP A 131 -0.239 -8.632 10.907 1.00 31.20 C ATOM 1998 O ASP A 131 -1.019 -9.584 10.984 1.00 64.11 O ATOM 1999 CB ASP A 131 1.655 -9.438 12.363 1.00 70.11 C ATOM 2000 CG ASP A 131 3.161 -9.574 12.532 1.00 45.00 C ATOM 2001 OD1 ASP A 131 3.727 -10.589 12.081 1.00 72.13 O ATOM 2002 OD2 ASP A 131 3.789 -8.652 13.103 1.00 11.10 O ATOM 0 H ASP A 131 2.178 -7.057 11.668 1.00 23.32 H new ATOM 0 HA ASP A 131 1.575 -9.533 10.215 1.00 11.21 H new ATOM 0 HB2 ASP A 131 1.256 -8.808 13.158 1.00 70.11 H new ATOM 0 HB3 ASP A 131 1.188 -10.417 12.468 1.00 70.11 H new ATOM 2007 N GLU A 132 -0.645 -7.378 10.724 1.00 43.42 N ATOM 2008 CA GLU A 132 -2.061 -7.006 10.626 1.00 11.10 C ATOM 2009 C GLU A 132 -2.733 -7.563 9.363 1.00 21.52 C ATOM 2010 O GLU A 132 -2.080 -8.142 8.489 1.00 13.20 O ATOM 2011 CB GLU A 132 -2.189 -5.481 10.649 1.00 20.42 C ATOM 2012 CG GLU A 132 -1.768 -4.863 11.972 1.00 33.33 C ATOM 2013 CD GLU A 132 -1.660 -3.353 11.915 1.00 21.21 C ATOM 2014 OE1 GLU A 132 -2.663 -2.691 11.578 1.00 53.11 O ATOM 2015 OE2 GLU A 132 -0.566 -2.820 12.196 1.00 3.53 O ATOM 0 H GLU A 132 -0.005 -6.589 10.639 1.00 43.42 H new ATOM 0 HA GLU A 132 -2.574 -7.445 11.482 1.00 11.10 H new ATOM 0 HB2 GLU A 132 -1.580 -5.060 9.849 1.00 20.42 H new ATOM 0 HB3 GLU A 132 -3.223 -5.207 10.440 1.00 20.42 H new ATOM 0 HG2 GLU A 132 -2.488 -5.141 12.742 1.00 33.33 H new ATOM 0 HG3 GLU A 132 -0.806 -5.279 12.271 1.00 33.33 H new ATOM 2022 N LYS A 133 -4.048 -7.382 9.278 1.00 62.42 N ATOM 2023 CA LYS A 133 -4.828 -7.868 8.137 1.00 13.43 C ATOM 2024 C LYS A 133 -4.895 -6.832 7.008 1.00 44.41 C ATOM 2025 O LYS A 133 -4.885 -5.622 7.251 1.00 64.32 O ATOM 2026 CB LYS A 133 -6.261 -8.211 8.579 1.00 2.32 C ATOM 2027 CG LYS A 133 -7.099 -6.977 8.920 1.00 63.33 C ATOM 2028 CD LYS A 133 -8.540 -7.328 9.263 1.00 61.13 C ATOM 2029 CE LYS A 133 -9.395 -6.075 9.454 1.00 44.13 C ATOM 2030 NZ LYS A 133 -8.839 -5.160 10.490 1.00 42.35 N ATOM 0 H LYS A 133 -4.600 -6.901 9.988 1.00 62.42 H new ATOM 0 HA LYS A 133 -4.325 -8.759 7.762 1.00 13.43 H new ATOM 0 HB2 LYS A 133 -6.755 -8.769 7.784 1.00 2.32 H new ATOM 0 HB3 LYS A 133 -6.219 -8.865 9.450 1.00 2.32 H new ATOM 0 HG2 LYS A 133 -6.645 -6.455 9.762 1.00 63.33 H new ATOM 0 HG3 LYS A 133 -7.087 -6.289 8.075 1.00 63.33 H new ATOM 0 HD2 LYS A 133 -8.965 -7.941 8.468 1.00 61.13 H new ATOM 0 HD3 LYS A 133 -8.562 -7.927 10.174 1.00 61.13 H new ATOM 0 HE2 LYS A 133 -9.471 -5.542 8.506 1.00 44.13 H new ATOM 0 HE3 LYS A 133 -10.406 -6.368 9.737 1.00 44.13 H new ATOM 0 HZ1 LYS A 133 -9.519 -4.396 10.680 1.00 42.35 H new ATOM 0 HZ2 LYS A 133 -8.663 -5.693 11.366 1.00 42.35 H new ATOM 0 HZ3 LYS A 133 -7.946 -4.751 10.149 1.00 42.35 H new ATOM 2044 N VAL A 134 -4.970 -7.318 5.774 1.00 25.50 N ATOM 2045 CA VAL A 134 -5.253 -6.458 4.625 1.00 13.13 C ATOM 2046 C VAL A 134 -6.704 -5.972 4.684 1.00 3.03 C ATOM 2047 O VAL A 134 -7.631 -6.781 4.777 1.00 3.20 O ATOM 2048 CB VAL A 134 -5.014 -7.201 3.285 1.00 15.52 C ATOM 2049 CG1 VAL A 134 -5.454 -6.348 2.092 1.00 10.50 C ATOM 2050 CG2 VAL A 134 -3.547 -7.599 3.153 1.00 62.12 C ATOM 0 H VAL A 134 -4.839 -8.302 5.541 1.00 25.50 H new ATOM 0 HA VAL A 134 -4.573 -5.608 4.671 1.00 13.13 H new ATOM 0 HB VAL A 134 -5.621 -8.106 3.287 1.00 15.52 H new ATOM 0 HG11 VAL A 134 -5.274 -6.896 1.167 1.00 10.50 H new ATOM 0 HG12 VAL A 134 -6.517 -6.122 2.179 1.00 10.50 H new ATOM 0 HG13 VAL A 134 -4.885 -5.418 2.080 1.00 10.50 H new ATOM 0 HG21 VAL A 134 -3.395 -8.120 2.208 1.00 62.12 H new ATOM 0 HG22 VAL A 134 -2.924 -6.705 3.180 1.00 62.12 H new ATOM 0 HG23 VAL A 134 -3.273 -8.257 3.978 1.00 62.12 H new ATOM 2060 N LEU A 135 -6.903 -4.660 4.656 1.00 43.32 N ATOM 2061 CA LEU A 135 -8.256 -4.101 4.722 1.00 53.45 C ATOM 2062 C LEU A 135 -9.034 -4.365 3.435 1.00 43.33 C ATOM 2063 O LEU A 135 -9.009 -3.559 2.513 1.00 61.20 O ATOM 2064 CB LEU A 135 -8.228 -2.596 5.020 1.00 1.33 C ATOM 2065 CG LEU A 135 -8.305 -2.223 6.505 1.00 55.22 C ATOM 2066 CD1 LEU A 135 -8.373 -0.714 6.669 1.00 11.32 C ATOM 2067 CD2 LEU A 135 -9.512 -2.890 7.158 1.00 61.41 C ATOM 0 H LEU A 135 -6.158 -3.967 4.589 1.00 43.32 H new ATOM 0 HA LEU A 135 -8.767 -4.605 5.542 1.00 53.45 H new ATOM 0 HB2 LEU A 135 -7.312 -2.176 4.603 1.00 1.33 H new ATOM 0 HB3 LEU A 135 -9.061 -2.123 4.499 1.00 1.33 H new ATOM 0 HG LEU A 135 -7.403 -2.582 7.002 1.00 55.22 H new ATOM 0 HD11 LEU A 135 -8.427 -0.465 7.729 1.00 11.32 H new ATOM 0 HD12 LEU A 135 -7.482 -0.260 6.235 1.00 11.32 H new ATOM 0 HD13 LEU A 135 -9.259 -0.332 6.161 1.00 11.32 H new ATOM 0 HD21 LEU A 135 -9.553 -2.616 8.212 1.00 61.41 H new ATOM 0 HD22 LEU A 135 -10.424 -2.559 6.661 1.00 61.41 H new ATOM 0 HD23 LEU A 135 -9.422 -3.973 7.068 1.00 61.41 H new ATOM 2079 N SER A 136 -9.729 -5.498 3.394 1.00 31.32 N ATOM 2080 CA SER A 136 -10.529 -5.887 2.220 1.00 51.31 C ATOM 2081 C SER A 136 -11.401 -4.721 1.745 1.00 35.24 C ATOM 2082 O SER A 136 -11.856 -3.920 2.554 1.00 52.31 O ATOM 2083 CB SER A 136 -11.422 -7.092 2.547 1.00 63.22 C ATOM 2084 OG SER A 136 -10.666 -8.201 3.016 1.00 71.12 O ATOM 0 H SER A 136 -9.759 -6.171 4.160 1.00 31.32 H new ATOM 0 HA SER A 136 -9.837 -6.161 1.423 1.00 51.31 H new ATOM 0 HB2 SER A 136 -12.154 -6.807 3.302 1.00 63.22 H new ATOM 0 HB3 SER A 136 -11.979 -7.383 1.657 1.00 63.22 H new ATOM 0 HG SER A 136 -11.269 -8.947 3.215 1.00 71.12 H new ATOM 2090 N VAL A 137 -11.657 -4.655 0.440 1.00 70.23 N ATOM 2091 CA VAL A 137 -12.354 -3.510 -0.168 1.00 30.53 C ATOM 2092 C VAL A 137 -13.586 -3.071 0.646 1.00 10.20 C ATOM 2093 O VAL A 137 -13.783 -1.883 0.895 1.00 72.34 O ATOM 2094 CB VAL A 137 -12.791 -3.836 -1.620 1.00 13.33 C ATOM 2095 CG1 VAL A 137 -13.530 -2.657 -2.255 1.00 2.41 C ATOM 2096 CG2 VAL A 137 -11.585 -4.237 -2.468 1.00 61.53 C ATOM 0 H VAL A 137 -11.393 -5.382 -0.225 1.00 70.23 H new ATOM 0 HA VAL A 137 -11.641 -2.685 -0.174 1.00 30.53 H new ATOM 0 HB VAL A 137 -13.481 -4.679 -1.580 1.00 13.33 H new ATOM 0 HG11 VAL A 137 -13.823 -2.917 -3.272 1.00 2.41 H new ATOM 0 HG12 VAL A 137 -14.419 -2.427 -1.669 1.00 2.41 H new ATOM 0 HG13 VAL A 137 -12.875 -1.786 -2.277 1.00 2.41 H new ATOM 0 HG21 VAL A 137 -11.913 -4.462 -3.483 1.00 61.53 H new ATOM 0 HG22 VAL A 137 -10.868 -3.417 -2.491 1.00 61.53 H new ATOM 0 HG23 VAL A 137 -11.113 -5.119 -2.035 1.00 61.53 H new ATOM 2106 N LYS A 138 -14.393 -4.036 1.075 1.00 32.03 N ATOM 2107 CA LYS A 138 -15.579 -3.751 1.891 1.00 53.32 C ATOM 2108 C LYS A 138 -15.197 -3.334 3.328 1.00 25.34 C ATOM 2109 O LYS A 138 -15.692 -2.330 3.847 1.00 45.04 O ATOM 2110 CB LYS A 138 -16.483 -4.989 1.923 1.00 55.24 C ATOM 2111 CG LYS A 138 -17.811 -4.783 2.643 1.00 14.54 C ATOM 2112 CD LYS A 138 -18.583 -6.094 2.781 1.00 43.41 C ATOM 2113 CE LYS A 138 -18.826 -6.761 1.430 1.00 33.12 C ATOM 2114 NZ LYS A 138 -19.517 -8.068 1.574 1.00 4.01 N ATOM 0 H LYS A 138 -14.251 -5.026 0.873 1.00 32.03 H new ATOM 0 HA LYS A 138 -16.112 -2.914 1.439 1.00 53.32 H new ATOM 0 HB2 LYS A 138 -16.684 -5.303 0.899 1.00 55.24 H new ATOM 0 HB3 LYS A 138 -15.945 -5.804 2.406 1.00 55.24 H new ATOM 0 HG2 LYS A 138 -17.628 -4.361 3.631 1.00 14.54 H new ATOM 0 HG3 LYS A 138 -18.415 -4.060 2.095 1.00 14.54 H new ATOM 0 HD2 LYS A 138 -18.028 -6.775 3.427 1.00 43.41 H new ATOM 0 HD3 LYS A 138 -19.539 -5.902 3.267 1.00 43.41 H new ATOM 0 HE2 LYS A 138 -19.424 -6.101 0.802 1.00 33.12 H new ATOM 0 HE3 LYS A 138 -17.873 -6.908 0.921 1.00 33.12 H new ATOM 0 HZ1 LYS A 138 -19.663 -8.489 0.634 1.00 4.01 H new ATOM 0 HZ2 LYS A 138 -18.935 -8.707 2.152 1.00 4.01 H new ATOM 0 HZ3 LYS A 138 -20.437 -7.925 2.037 1.00 4.01 H new ATOM 2128 N GLU A 139 -14.301 -4.102 3.957 1.00 2.25 N ATOM 2129 CA GLU A 139 -13.845 -3.826 5.325 1.00 12.30 C ATOM 2130 C GLU A 139 -13.277 -2.401 5.426 1.00 61.41 C ATOM 2131 O GLU A 139 -13.489 -1.699 6.412 1.00 4.41 O ATOM 2132 CB GLU A 139 -12.772 -4.855 5.717 1.00 41.31 C ATOM 2133 CG GLU A 139 -12.256 -4.737 7.148 1.00 4.33 C ATOM 2134 CD GLU A 139 -13.281 -5.131 8.199 1.00 24.53 C ATOM 2135 OE1 GLU A 139 -13.840 -6.243 8.099 1.00 43.04 O ATOM 2136 OE2 GLU A 139 -13.502 -4.349 9.150 1.00 24.32 O ATOM 0 H GLU A 139 -13.874 -4.927 3.536 1.00 2.25 H new ATOM 0 HA GLU A 139 -14.691 -3.904 6.008 1.00 12.30 H new ATOM 0 HB2 GLU A 139 -13.181 -5.855 5.576 1.00 41.31 H new ATOM 0 HB3 GLU A 139 -11.929 -4.756 5.034 1.00 41.31 H new ATOM 0 HG2 GLU A 139 -11.373 -5.366 7.260 1.00 4.33 H new ATOM 0 HG3 GLU A 139 -11.940 -3.709 7.328 1.00 4.33 H new ATOM 2143 N LEU A 140 -12.574 -1.991 4.377 1.00 72.32 N ATOM 2144 CA LEU A 140 -12.001 -0.654 4.268 1.00 13.04 C ATOM 2145 C LEU A 140 -13.100 0.424 4.299 1.00 30.35 C ATOM 2146 O LEU A 140 -12.960 1.450 4.973 1.00 65.20 O ATOM 2147 CB LEU A 140 -11.190 -0.574 2.971 1.00 5.30 C ATOM 2148 CG LEU A 140 -10.017 0.413 2.990 1.00 61.33 C ATOM 2149 CD1 LEU A 140 -9.022 0.071 1.896 1.00 14.40 C ATOM 2150 CD2 LEU A 140 -10.493 1.856 2.843 1.00 11.43 C ATOM 0 H LEU A 140 -12.383 -2.584 3.569 1.00 72.32 H new ATOM 0 HA LEU A 140 -11.347 -0.468 5.120 1.00 13.04 H new ATOM 0 HB2 LEU A 140 -10.804 -1.567 2.742 1.00 5.30 H new ATOM 0 HB3 LEU A 140 -11.862 -0.298 2.158 1.00 5.30 H new ATOM 0 HG LEU A 140 -9.525 0.324 3.959 1.00 61.33 H new ATOM 0 HD11 LEU A 140 -8.195 0.780 1.922 1.00 14.40 H new ATOM 0 HD12 LEU A 140 -8.640 -0.938 2.054 1.00 14.40 H new ATOM 0 HD13 LEU A 140 -9.516 0.124 0.926 1.00 14.40 H new ATOM 0 HD21 LEU A 140 -9.634 2.526 2.861 1.00 11.43 H new ATOM 0 HD22 LEU A 140 -11.022 1.970 1.897 1.00 11.43 H new ATOM 0 HD23 LEU A 140 -11.163 2.104 3.666 1.00 11.43 H new ATOM 2162 N LEU A 141 -14.204 0.175 3.588 1.00 12.31 N ATOM 2163 CA LEU A 141 -15.332 1.119 3.550 1.00 64.43 C ATOM 2164 C LEU A 141 -15.841 1.400 4.968 1.00 54.14 C ATOM 2165 O LEU A 141 -16.058 2.547 5.359 1.00 52.51 O ATOM 2166 CB LEU A 141 -16.494 0.563 2.705 1.00 33.14 C ATOM 2167 CG LEU A 141 -16.124 0.009 1.321 1.00 0.22 C ATOM 2168 CD1 LEU A 141 -17.371 -0.457 0.572 1.00 52.33 C ATOM 2169 CD2 LEU A 141 -15.352 1.036 0.504 1.00 45.25 C ATOM 0 H LEU A 141 -14.343 -0.669 3.032 1.00 12.31 H new ATOM 0 HA LEU A 141 -14.972 2.042 3.096 1.00 64.43 H new ATOM 0 HB2 LEU A 141 -16.981 -0.230 3.272 1.00 33.14 H new ATOM 0 HB3 LEU A 141 -17.230 1.356 2.571 1.00 33.14 H new ATOM 0 HG LEU A 141 -15.474 -0.853 1.470 1.00 0.22 H new ATOM 0 HD11 LEU A 141 -17.085 -0.845 -0.405 1.00 52.33 H new ATOM 0 HD12 LEU A 141 -17.867 -1.242 1.143 1.00 52.33 H new ATOM 0 HD13 LEU A 141 -18.053 0.383 0.443 1.00 52.33 H new ATOM 0 HD21 LEU A 141 -15.104 0.614 -0.470 1.00 45.25 H new ATOM 0 HD22 LEU A 141 -15.964 1.928 0.369 1.00 45.25 H new ATOM 0 HD23 LEU A 141 -14.434 1.302 1.028 1.00 45.25 H new