USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 866 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 643 GLN : amide:sc= -0.468 X(o=-0.13,f=-0.032) USER MOD Set 1.2: A 644 ASN : amide:sc= 0.341 X(o=-0.13,f=-0.032) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -136:sc= 2.38 (180deg=0.951) USER MOD Set 2.2: A 77 TYR OH : rot 166:sc= 1.68 USER MOD Set 3.1: A 39 MET CE :methyl -156:sc= -2.11 (180deg=-1.6) USER MOD Set 3.2: A 668 MET CE :methyl -139:sc= -3.1! (180deg=-5!) USER MOD Set 4.1: A 37 TYR OH : rot 93:sc= 0.639 USER MOD Set 4.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 109:sc= 0.108 USER MOD Single : A 45 SER OG : rot 180:sc= 0.12 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -160:sc= -0.291 USER MOD Single : A 52 SER OG : rot 97:sc= 1.07 USER MOD Single : A 54 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.22) USER MOD Single : A 56 GLN : amide:sc= -2.44! C(o=-2.4!,f=-7.3!) USER MOD Single : A 62 THR OG1 : rot 133:sc= 0.529 USER MOD Single : A 63 SER OG : rot 180:sc= 0.143 USER MOD Single : A 64 SER OG : rot 160:sc= -0.126 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 41:sc= 1.32 USER MOD Single : A 68 SER OG : rot 143:sc= 0.814 USER MOD Single : A 70 MET CE :methyl -161:sc= -0.223 (180deg=-0.803) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 641 SER OG : rot -3:sc= 0.859 USER MOD Single : A 645 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 646 GLN :FLIP amide:sc= -0.442 F(o=-3.6!,f=-0.44) USER MOD Single : A 649 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 652 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.38) USER MOD Single : A 656 SER OG : rot 86:sc= 0.173 USER MOD Single : A 664 SER OG : rot 113:sc= 1.38 USER MOD Single : A 665 GLN : amide:sc= -0.399 K(o=-0.4,f=-1.5) USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot 180:sc= 0.00244 USER MOD Single : A 676 LYS NZ :NH3+ 153:sc= 1.28 (180deg=0.988) USER MOD Single : A 679 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 680 GLN :FLIP amide:sc= -0.343 F(o=-2.5!,f=-0.34) USER MOD Single : A 681 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 682 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 903 SER OG : rot 180:sc= 0.0663 USER MOD Single : A 906 HIS : no HE2:sc= -0.0067 K(o=-0.0067,f=-1.7) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 909 SER OG : rot 180:sc= 0.127 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 641 47.896 27.583 -17.941 1.00 0.00 N ATOM 2 CA SER A 641 48.372 26.435 -18.734 1.00 0.00 C ATOM 3 C SER A 641 47.446 25.237 -18.544 1.00 0.00 C ATOM 4 O SER A 641 47.874 24.162 -18.116 1.00 0.00 O ATOM 5 CB SER A 641 49.797 26.090 -18.303 1.00 0.00 C ATOM 6 OG SER A 641 50.171 26.845 -17.159 1.00 0.00 O ATOM 0 HA SER A 641 48.369 26.695 -19.793 1.00 0.00 H new ATOM 0 HB2 SER A 641 49.868 25.025 -18.081 1.00 0.00 H new ATOM 0 HB3 SER A 641 50.489 26.292 -19.121 1.00 0.00 H new ATOM 0 HG SER A 641 49.445 27.458 -16.920 1.00 0.00 H new ATOM 12 N LEU A 642 46.171 25.430 -18.849 1.00 0.00 N ATOM 13 CA LEU A 642 45.189 24.368 -18.722 1.00 0.00 C ATOM 14 C LEU A 642 44.249 24.386 -19.911 1.00 0.00 C ATOM 15 O LEU A 642 43.691 25.428 -20.260 1.00 0.00 O ATOM 16 CB LEU A 642 44.399 24.510 -17.419 1.00 0.00 C ATOM 17 CG LEU A 642 44.231 23.211 -16.630 1.00 0.00 C ATOM 18 CD1 LEU A 642 44.523 23.440 -15.159 1.00 0.00 C ATOM 19 CD2 LEU A 642 42.829 22.651 -16.819 1.00 0.00 C ATOM 0 H LEU A 642 45.794 26.315 -19.187 1.00 0.00 H new ATOM 0 HA LEU A 642 45.714 23.413 -18.699 1.00 0.00 H new ATOM 0 HB2 LEU A 642 44.899 25.242 -16.785 1.00 0.00 H new ATOM 0 HB3 LEU A 642 43.411 24.909 -17.650 1.00 0.00 H new ATOM 0 HG LEU A 642 44.946 22.481 -17.010 1.00 0.00 H new ATOM 0 HD11 LEU A 642 44.398 22.505 -14.613 1.00 0.00 H new ATOM 0 HD12 LEU A 642 45.547 23.794 -15.042 1.00 0.00 H new ATOM 0 HD13 LEU A 642 43.834 24.186 -14.763 1.00 0.00 H new ATOM 0 HD21 LEU A 642 42.727 21.727 -16.251 1.00 0.00 H new ATOM 0 HD22 LEU A 642 42.097 23.377 -16.466 1.00 0.00 H new ATOM 0 HD23 LEU A 642 42.658 22.448 -17.876 1.00 0.00 H new ATOM 31 N GLN A 643 44.090 23.232 -20.538 1.00 0.00 N ATOM 32 CA GLN A 643 43.247 23.109 -21.713 1.00 0.00 C ATOM 33 C GLN A 643 42.691 21.696 -21.811 1.00 0.00 C ATOM 34 O GLN A 643 43.361 20.739 -21.422 1.00 0.00 O ATOM 35 CB GLN A 643 44.050 23.445 -22.971 1.00 0.00 C ATOM 36 CG GLN A 643 43.221 24.077 -24.073 1.00 0.00 C ATOM 37 CD GLN A 643 42.667 23.058 -25.048 1.00 0.00 C ATOM 38 OE1 GLN A 643 41.492 23.102 -25.407 1.00 0.00 O ATOM 39 NE2 GLN A 643 43.500 22.123 -25.471 1.00 0.00 N ATOM 0 H GLN A 643 44.538 22.362 -20.249 1.00 0.00 H new ATOM 0 HA GLN A 643 42.416 23.809 -21.626 1.00 0.00 H new ATOM 0 HB2 GLN A 643 44.860 24.123 -22.704 1.00 0.00 H new ATOM 0 HB3 GLN A 643 44.510 22.533 -23.352 1.00 0.00 H new ATOM 0 HG2 GLN A 643 42.396 24.633 -23.628 1.00 0.00 H new ATOM 0 HG3 GLN A 643 43.834 24.797 -24.616 1.00 0.00 H new ATOM 0 HE21 GLN A 643 44.468 22.120 -25.150 1.00 0.00 H new ATOM 0 HE22 GLN A 643 43.175 21.405 -26.118 1.00 0.00 H new ATOM 48 N ASN A 644 41.462 21.587 -22.310 1.00 0.00 N ATOM 49 CA ASN A 644 40.813 20.294 -22.533 1.00 0.00 C ATOM 50 C ASN A 644 40.669 19.516 -21.229 1.00 0.00 C ATOM 51 O ASN A 644 41.198 18.411 -21.081 1.00 0.00 O ATOM 52 CB ASN A 644 41.587 19.464 -23.568 1.00 0.00 C ATOM 53 CG ASN A 644 40.783 19.210 -24.827 1.00 0.00 C ATOM 54 OD1 ASN A 644 40.284 18.106 -25.051 1.00 0.00 O ATOM 55 ND2 ASN A 644 40.655 20.230 -25.660 1.00 0.00 N ATOM 0 H ASN A 644 40.888 22.389 -22.571 1.00 0.00 H new ATOM 0 HA ASN A 644 39.814 20.490 -22.923 1.00 0.00 H new ATOM 0 HB2 ASN A 644 42.510 19.983 -23.828 1.00 0.00 H new ATOM 0 HB3 ASN A 644 41.872 18.510 -23.124 1.00 0.00 H new ATOM 0 HD21 ASN A 644 40.127 20.118 -26.526 1.00 0.00 H new ATOM 0 HD22 ASN A 644 41.084 21.128 -25.437 1.00 0.00 H new ATOM 62 N ASN A 645 39.960 20.108 -20.280 1.00 0.00 N ATOM 63 CA ASN A 645 39.691 19.465 -19.002 1.00 0.00 C ATOM 64 C ASN A 645 38.627 18.382 -19.163 1.00 0.00 C ATOM 65 O ASN A 645 37.433 18.637 -18.997 1.00 0.00 O ATOM 66 CB ASN A 645 39.234 20.500 -17.970 1.00 0.00 C ATOM 67 CG ASN A 645 39.380 20.002 -16.545 1.00 0.00 C ATOM 68 OD1 ASN A 645 40.487 19.945 -16.009 1.00 0.00 O ATOM 69 ND2 ASN A 645 38.267 19.653 -15.917 1.00 0.00 N ATOM 0 H ASN A 645 39.557 21.041 -20.372 1.00 0.00 H new ATOM 0 HA ASN A 645 40.612 19.001 -18.650 1.00 0.00 H new ATOM 0 HB2 ASN A 645 39.816 21.413 -18.094 1.00 0.00 H new ATOM 0 HB3 ASN A 645 38.192 20.758 -18.156 1.00 0.00 H new ATOM 0 HD21 ASN A 645 38.308 19.322 -14.953 1.00 0.00 H new ATOM 0 HD22 ASN A 645 37.369 19.715 -16.397 1.00 0.00 H new ATOM 76 N GLN A 646 39.064 17.184 -19.512 1.00 0.00 N ATOM 77 CA GLN A 646 38.157 16.062 -19.690 1.00 0.00 C ATOM 78 C GLN A 646 37.906 15.370 -18.358 1.00 0.00 C ATOM 79 O GLN A 646 38.826 14.839 -17.735 1.00 0.00 O ATOM 80 CB GLN A 646 38.728 15.066 -20.703 1.00 0.00 C ATOM 81 CG GLN A 646 37.671 14.175 -21.340 1.00 0.00 C ATOM 82 CD GLN A 646 37.758 12.725 -20.886 1.00 0.00 C ATOM 83 OE1 GLN A 646 38.843 12.372 -20.214 1.00 0.00 O flip ATOM 84 NE2 GLN A 646 36.854 11.925 -21.140 1.00 0.00 N flip ATOM 0 H GLN A 646 40.046 16.962 -19.678 1.00 0.00 H new ATOM 0 HA GLN A 646 37.210 16.442 -20.073 1.00 0.00 H new ATOM 0 HB2 GLN A 646 39.249 15.616 -21.487 1.00 0.00 H new ATOM 0 HB3 GLN A 646 39.469 14.439 -20.207 1.00 0.00 H new ATOM 0 HG2 GLN A 646 36.682 14.566 -21.099 1.00 0.00 H new ATOM 0 HG3 GLN A 646 37.775 14.217 -22.424 1.00 0.00 H new ATOM 0 HE21 GLN A 646 36.032 12.232 -21.660 1.00 0.00 H new ATOM 0 HE22 GLN A 646 36.928 10.956 -20.830 1.00 0.00 H new ATOM 93 N ASP A 647 36.659 15.391 -17.922 1.00 0.00 N ATOM 94 CA ASP A 647 36.267 14.746 -16.677 1.00 0.00 C ATOM 95 C ASP A 647 35.777 13.335 -16.959 1.00 0.00 C ATOM 96 O ASP A 647 35.378 13.030 -18.084 1.00 0.00 O ATOM 97 CB ASP A 647 35.165 15.548 -15.987 1.00 0.00 C ATOM 98 CG ASP A 647 35.196 15.410 -14.479 1.00 0.00 C ATOM 99 OD1 ASP A 647 35.899 14.519 -13.964 1.00 0.00 O ATOM 100 OD2 ASP A 647 34.518 16.209 -13.799 1.00 0.00 O ATOM 0 H ASP A 647 35.894 15.851 -18.415 1.00 0.00 H new ATOM 0 HA ASP A 647 37.134 14.702 -16.018 1.00 0.00 H new ATOM 0 HB2 ASP A 647 35.266 16.600 -16.253 1.00 0.00 H new ATOM 0 HB3 ASP A 647 34.195 15.217 -16.358 1.00 0.00 H new ATOM 105 N VAL A 648 35.789 12.486 -15.944 1.00 0.00 N ATOM 106 CA VAL A 648 35.379 11.102 -16.109 1.00 0.00 C ATOM 107 C VAL A 648 34.082 10.833 -15.347 1.00 0.00 C ATOM 108 O VAL A 648 33.993 11.056 -14.138 1.00 0.00 O ATOM 109 CB VAL A 648 36.487 10.114 -15.658 1.00 0.00 C ATOM 110 CG1 VAL A 648 37.040 10.487 -14.291 1.00 0.00 C ATOM 111 CG2 VAL A 648 35.971 8.682 -15.657 1.00 0.00 C ATOM 0 H VAL A 648 36.078 12.732 -14.997 1.00 0.00 H new ATOM 0 HA VAL A 648 35.205 10.937 -17.172 1.00 0.00 H new ATOM 0 HB VAL A 648 37.303 10.184 -16.378 1.00 0.00 H new ATOM 0 HG11 VAL A 648 37.814 9.775 -14.005 1.00 0.00 H new ATOM 0 HG12 VAL A 648 37.466 11.489 -14.332 1.00 0.00 H new ATOM 0 HG13 VAL A 648 36.236 10.465 -13.555 1.00 0.00 H new ATOM 0 HG21 VAL A 648 36.766 8.009 -15.337 1.00 0.00 H new ATOM 0 HG22 VAL A 648 35.128 8.599 -14.971 1.00 0.00 H new ATOM 0 HG23 VAL A 648 35.648 8.411 -16.662 1.00 0.00 H new ATOM 121 N SER A 649 33.073 10.375 -16.074 1.00 0.00 N ATOM 122 CA SER A 649 31.781 10.064 -15.488 1.00 0.00 C ATOM 123 C SER A 649 31.838 8.733 -14.740 1.00 0.00 C ATOM 124 O SER A 649 31.566 7.674 -15.309 1.00 0.00 O ATOM 125 CB SER A 649 30.723 10.021 -16.591 1.00 0.00 C ATOM 126 OG SER A 649 31.240 10.557 -17.802 1.00 0.00 O ATOM 0 H SER A 649 33.128 10.210 -17.079 1.00 0.00 H new ATOM 0 HA SER A 649 31.515 10.839 -14.769 1.00 0.00 H new ATOM 0 HB2 SER A 649 30.399 8.993 -16.751 1.00 0.00 H new ATOM 0 HB3 SER A 649 29.845 10.588 -16.282 1.00 0.00 H new ATOM 0 HG SER A 649 30.550 10.520 -18.497 1.00 0.00 H new ATOM 132 N PHE A 650 32.189 8.796 -13.461 1.00 0.00 N ATOM 133 CA PHE A 650 32.342 7.600 -12.641 1.00 0.00 C ATOM 134 C PHE A 650 31.005 6.895 -12.431 1.00 0.00 C ATOM 135 O PHE A 650 30.957 5.705 -12.118 1.00 0.00 O ATOM 136 CB PHE A 650 32.955 7.967 -11.291 1.00 0.00 C ATOM 137 CG PHE A 650 34.082 7.063 -10.881 1.00 0.00 C ATOM 138 CD1 PHE A 650 35.366 7.268 -11.360 1.00 0.00 C ATOM 139 CD2 PHE A 650 33.858 6.002 -10.017 1.00 0.00 C ATOM 140 CE1 PHE A 650 36.403 6.436 -10.984 1.00 0.00 C ATOM 141 CE2 PHE A 650 34.891 5.167 -9.640 1.00 0.00 C ATOM 142 CZ PHE A 650 36.163 5.384 -10.123 1.00 0.00 C ATOM 0 H PHE A 650 32.374 9.669 -12.967 1.00 0.00 H new ATOM 0 HA PHE A 650 33.006 6.914 -13.167 1.00 0.00 H new ATOM 0 HB2 PHE A 650 33.320 8.993 -11.333 1.00 0.00 H new ATOM 0 HB3 PHE A 650 32.178 7.936 -10.527 1.00 0.00 H new ATOM 0 HD1 PHE A 650 35.559 8.088 -12.036 1.00 0.00 H new ATOM 0 HD2 PHE A 650 32.863 5.827 -9.634 1.00 0.00 H new ATOM 0 HE1 PHE A 650 37.400 6.608 -11.363 1.00 0.00 H new ATOM 0 HE2 PHE A 650 34.702 4.344 -8.967 1.00 0.00 H new ATOM 0 HZ PHE A 650 36.972 4.732 -9.828 1.00 0.00 H new ATOM 152 N GLU A 651 29.920 7.633 -12.610 1.00 0.00 N ATOM 153 CA GLU A 651 28.583 7.082 -12.450 1.00 0.00 C ATOM 154 C GLU A 651 28.202 6.226 -13.653 1.00 0.00 C ATOM 155 O GLU A 651 27.268 5.426 -13.585 1.00 0.00 O ATOM 156 CB GLU A 651 27.561 8.205 -12.257 1.00 0.00 C ATOM 157 CG GLU A 651 27.723 8.967 -10.947 1.00 0.00 C ATOM 158 CD GLU A 651 28.980 9.816 -10.912 1.00 0.00 C ATOM 159 OE1 GLU A 651 29.381 10.334 -11.978 1.00 0.00 O ATOM 160 OE2 GLU A 651 29.586 9.950 -9.827 1.00 0.00 O ATOM 0 H GLU A 651 29.940 8.620 -12.867 1.00 0.00 H new ATOM 0 HA GLU A 651 28.581 6.449 -11.562 1.00 0.00 H new ATOM 0 HB2 GLU A 651 27.645 8.906 -13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 651 26.558 7.781 -12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 651 26.854 9.607 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 651 27.746 8.258 -10.120 1.00 0.00 H new ATOM 167 N ASN A 652 28.944 6.386 -14.748 1.00 0.00 N ATOM 168 CA ASN A 652 28.696 5.620 -15.970 1.00 0.00 C ATOM 169 C ASN A 652 29.043 4.152 -15.762 1.00 0.00 C ATOM 170 O ASN A 652 28.461 3.267 -16.383 1.00 0.00 O ATOM 171 CB ASN A 652 29.512 6.186 -17.136 1.00 0.00 C ATOM 172 CG ASN A 652 28.705 6.296 -18.414 1.00 0.00 C ATOM 173 OD1 ASN A 652 27.802 7.125 -18.520 1.00 0.00 O ATOM 174 ND2 ASN A 652 29.034 5.471 -19.396 1.00 0.00 N ATOM 0 H ASN A 652 29.724 7.040 -14.814 1.00 0.00 H new ATOM 0 HA ASN A 652 27.636 5.701 -16.210 1.00 0.00 H new ATOM 0 HB2 ASN A 652 29.891 7.171 -16.864 1.00 0.00 H new ATOM 0 HB3 ASN A 652 30.378 5.548 -17.312 1.00 0.00 H new ATOM 0 HD21 ASN A 652 28.532 5.508 -20.283 1.00 0.00 H new ATOM 0 HD22 ASN A 652 29.790 4.799 -19.266 1.00 0.00 H new ATOM 181 N ILE A 653 29.991 3.899 -14.875 1.00 0.00 N ATOM 182 CA ILE A 653 30.405 2.538 -14.568 1.00 0.00 C ATOM 183 C ILE A 653 29.912 2.138 -13.191 1.00 0.00 C ATOM 184 O ILE A 653 30.383 1.174 -12.593 1.00 0.00 O ATOM 185 CB ILE A 653 31.934 2.385 -14.635 1.00 0.00 C ATOM 186 CG1 ILE A 653 32.625 3.522 -13.884 1.00 0.00 C ATOM 187 CG2 ILE A 653 32.374 2.365 -16.085 1.00 0.00 C ATOM 188 CD1 ILE A 653 33.346 3.077 -12.630 1.00 0.00 C ATOM 0 H ILE A 653 30.490 4.619 -14.353 1.00 0.00 H new ATOM 0 HA ILE A 653 29.964 1.882 -15.318 1.00 0.00 H new ATOM 0 HB ILE A 653 32.218 1.447 -14.159 1.00 0.00 H new ATOM 0 HG12 ILE A 653 33.340 4.004 -14.551 1.00 0.00 H new ATOM 0 HG13 ILE A 653 31.882 4.273 -13.617 1.00 0.00 H new ATOM 0 HG21 ILE A 653 33.457 2.257 -16.135 1.00 0.00 H new ATOM 0 HG22 ILE A 653 31.901 1.527 -16.597 1.00 0.00 H new ATOM 0 HG23 ILE A 653 32.080 3.297 -16.567 1.00 0.00 H new ATOM 0 HD11 ILE A 653 33.811 3.939 -12.152 1.00 0.00 H new ATOM 0 HD12 ILE A 653 32.633 2.622 -11.942 1.00 0.00 H new ATOM 0 HD13 ILE A 653 34.114 2.349 -12.891 1.00 0.00 H new ATOM 200 N GLN A 654 28.957 2.904 -12.700 1.00 0.00 N ATOM 201 CA GLN A 654 28.382 2.675 -11.384 1.00 0.00 C ATOM 202 C GLN A 654 26.874 2.520 -11.487 1.00 0.00 C ATOM 203 O GLN A 654 26.130 2.917 -10.590 1.00 0.00 O ATOM 204 CB GLN A 654 28.728 3.831 -10.449 1.00 0.00 C ATOM 205 CG GLN A 654 29.768 3.478 -9.410 1.00 0.00 C ATOM 206 CD GLN A 654 30.125 4.658 -8.531 1.00 0.00 C ATOM 207 OE1 GLN A 654 29.839 4.666 -7.335 1.00 0.00 O ATOM 208 NE2 GLN A 654 30.747 5.662 -9.123 1.00 0.00 N ATOM 0 H GLN A 654 28.558 3.700 -13.198 1.00 0.00 H new ATOM 0 HA GLN A 654 28.801 1.755 -10.976 1.00 0.00 H new ATOM 0 HB2 GLN A 654 29.089 4.671 -11.042 1.00 0.00 H new ATOM 0 HB3 GLN A 654 27.821 4.164 -9.945 1.00 0.00 H new ATOM 0 HG2 GLN A 654 29.395 2.664 -8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 654 30.667 3.113 -9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 654 30.964 5.612 -10.118 1.00 0.00 H new ATOM 0 HE22 GLN A 654 31.010 6.488 -8.585 1.00 0.00 H new ATOM 217 N TRP A 655 26.434 1.950 -12.593 1.00 0.00 N ATOM 218 CA TRP A 655 25.021 1.711 -12.817 1.00 0.00 C ATOM 219 C TRP A 655 24.557 0.537 -11.967 1.00 0.00 C ATOM 220 O TRP A 655 25.282 -0.446 -11.804 1.00 0.00 O ATOM 221 CB TRP A 655 24.734 1.455 -14.303 1.00 0.00 C ATOM 222 CG TRP A 655 25.653 0.461 -14.956 1.00 0.00 C ATOM 223 CD1 TRP A 655 26.984 0.618 -15.226 1.00 0.00 C ATOM 224 CD2 TRP A 655 25.300 -0.839 -15.439 1.00 0.00 C ATOM 225 NE1 TRP A 655 27.478 -0.506 -15.837 1.00 0.00 N ATOM 226 CE2 TRP A 655 26.466 -1.414 -15.980 1.00 0.00 C ATOM 227 CE3 TRP A 655 24.113 -1.576 -15.465 1.00 0.00 C ATOM 228 CZ2 TRP A 655 26.476 -2.689 -16.538 1.00 0.00 C ATOM 229 CZ3 TRP A 655 24.126 -2.841 -16.019 1.00 0.00 C ATOM 230 CH2 TRP A 655 25.301 -3.386 -16.549 1.00 0.00 C ATOM 0 H TRP A 655 27.039 1.642 -13.354 1.00 0.00 H new ATOM 0 HA TRP A 655 24.466 2.602 -12.523 1.00 0.00 H new ATOM 0 HB2 TRP A 655 23.708 1.103 -14.406 1.00 0.00 H new ATOM 0 HB3 TRP A 655 24.802 2.401 -14.841 1.00 0.00 H new ATOM 0 HD1 TRP A 655 27.563 1.499 -14.992 1.00 0.00 H new ATOM 0 HE1 TRP A 655 28.444 -0.642 -16.136 1.00 0.00 H new ATOM 0 HE3 TRP A 655 23.201 -1.163 -15.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 655 27.381 -3.113 -16.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 655 23.214 -3.419 -16.044 1.00 0.00 H new ATOM 0 HH2 TRP A 655 25.278 -4.378 -16.975 1.00 0.00 H new ATOM 241 N SER A 656 23.362 0.654 -11.413 1.00 0.00 N ATOM 242 CA SER A 656 22.820 -0.357 -10.523 1.00 0.00 C ATOM 243 C SER A 656 22.502 -1.647 -11.276 1.00 0.00 C ATOM 244 O SER A 656 21.738 -1.640 -12.244 1.00 0.00 O ATOM 245 CB SER A 656 21.567 0.195 -9.855 1.00 0.00 C ATOM 246 OG SER A 656 21.377 1.564 -10.199 1.00 0.00 O ATOM 0 H SER A 656 22.743 1.450 -11.567 1.00 0.00 H new ATOM 0 HA SER A 656 23.566 -0.600 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 656 20.698 -0.387 -10.163 1.00 0.00 H new ATOM 0 HB3 SER A 656 21.651 0.095 -8.773 1.00 0.00 H new ATOM 0 HG SER A 656 20.887 1.624 -11.046 1.00 0.00 H new ATOM 252 N ILE A 657 23.097 -2.747 -10.831 1.00 0.00 N ATOM 253 CA ILE A 657 22.874 -4.042 -11.466 1.00 0.00 C ATOM 254 C ILE A 657 22.334 -5.056 -10.467 1.00 0.00 C ATOM 255 O ILE A 657 22.006 -6.185 -10.828 1.00 0.00 O ATOM 256 CB ILE A 657 24.161 -4.625 -12.097 1.00 0.00 C ATOM 257 CG1 ILE A 657 25.264 -3.567 -12.201 1.00 0.00 C ATOM 258 CG2 ILE A 657 23.859 -5.209 -13.467 1.00 0.00 C ATOM 259 CD1 ILE A 657 26.443 -3.831 -11.291 1.00 0.00 C ATOM 0 H ILE A 657 23.736 -2.770 -10.036 1.00 0.00 H new ATOM 0 HA ILE A 657 22.145 -3.862 -12.257 1.00 0.00 H new ATOM 0 HB ILE A 657 24.522 -5.419 -11.444 1.00 0.00 H new ATOM 0 HG12 ILE A 657 25.615 -3.520 -13.232 1.00 0.00 H new ATOM 0 HG13 ILE A 657 24.843 -2.590 -11.962 1.00 0.00 H new ATOM 0 HG21 ILE A 657 24.774 -5.615 -13.899 1.00 0.00 H new ATOM 0 HG22 ILE A 657 23.120 -6.004 -13.369 1.00 0.00 H new ATOM 0 HG23 ILE A 657 23.467 -4.427 -14.117 1.00 0.00 H new ATOM 0 HD11 ILE A 657 27.184 -3.042 -11.418 1.00 0.00 H new ATOM 0 HD12 ILE A 657 26.106 -3.849 -10.255 1.00 0.00 H new ATOM 0 HD13 ILE A 657 26.890 -4.793 -11.544 1.00 0.00 H new ATOM 271 N ASP A 658 22.254 -4.654 -9.212 1.00 0.00 N ATOM 272 CA ASP A 658 21.781 -5.549 -8.161 1.00 0.00 C ATOM 273 C ASP A 658 20.256 -5.629 -8.158 1.00 0.00 C ATOM 274 O ASP A 658 19.571 -4.629 -7.931 1.00 0.00 O ATOM 275 CB ASP A 658 22.279 -5.092 -6.788 1.00 0.00 C ATOM 276 CG ASP A 658 21.665 -5.896 -5.656 1.00 0.00 C ATOM 277 OD1 ASP A 658 21.972 -7.100 -5.537 1.00 0.00 O ATOM 278 OD2 ASP A 658 20.862 -5.332 -4.891 1.00 0.00 O ATOM 0 H ASP A 658 22.508 -3.719 -8.892 1.00 0.00 H new ATOM 0 HA ASP A 658 22.184 -6.541 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 658 23.364 -5.184 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 658 22.043 -4.037 -6.651 1.00 0.00 H new ATOM 283 N PRO A 659 19.709 -6.827 -8.411 1.00 0.00 N ATOM 284 CA PRO A 659 18.265 -7.051 -8.450 1.00 0.00 C ATOM 285 C PRO A 659 17.655 -7.110 -7.052 1.00 0.00 C ATOM 286 O PRO A 659 16.434 -7.188 -6.898 1.00 0.00 O ATOM 287 CB PRO A 659 18.120 -8.412 -9.153 1.00 0.00 C ATOM 288 CG PRO A 659 19.500 -8.808 -9.578 1.00 0.00 C ATOM 289 CD PRO A 659 20.449 -8.058 -8.691 1.00 0.00 C ATOM 0 HA PRO A 659 17.745 -6.241 -8.961 1.00 0.00 H new ATOM 0 HB2 PRO A 659 17.691 -9.155 -8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 659 17.454 -8.338 -10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 659 19.643 -9.884 -9.478 1.00 0.00 H new ATOM 0 HG3 PRO A 659 19.670 -8.560 -10.626 1.00 0.00 H new ATOM 0 HD2 PRO A 659 20.677 -8.611 -7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 659 21.398 -7.858 -9.188 1.00 0.00 H new ATOM 297 N GLY A 660 18.511 -7.072 -6.039 1.00 0.00 N ATOM 298 CA GLY A 660 18.043 -7.129 -4.669 1.00 0.00 C ATOM 299 C GLY A 660 17.509 -5.796 -4.196 1.00 0.00 C ATOM 300 O GLY A 660 16.416 -5.717 -3.641 1.00 0.00 O ATOM 0 H GLY A 660 19.523 -7.003 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 660 17.261 -7.883 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 660 18.860 -7.443 -4.020 1.00 0.00 H new ATOM 304 N ALA A 661 18.286 -4.746 -4.410 1.00 0.00 N ATOM 305 CA ALA A 661 17.886 -3.398 -4.019 1.00 0.00 C ATOM 306 C ALA A 661 16.867 -2.820 -4.996 1.00 0.00 C ATOM 307 O ALA A 661 16.292 -1.754 -4.760 1.00 0.00 O ATOM 308 CB ALA A 661 19.107 -2.492 -3.924 1.00 0.00 C ATOM 0 H ALA A 661 19.202 -4.799 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 661 17.414 -3.456 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 661 18.794 -1.490 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 661 19.797 -2.889 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 661 19.604 -2.449 -4.893 1.00 0.00 H new ATOM 314 N ASP A 662 16.646 -3.523 -6.096 1.00 0.00 N ATOM 315 CA ASP A 662 15.684 -3.086 -7.094 1.00 0.00 C ATOM 316 C ASP A 662 14.325 -3.716 -6.835 1.00 0.00 C ATOM 317 O ASP A 662 13.992 -4.761 -7.395 1.00 0.00 O ATOM 318 CB ASP A 662 16.161 -3.435 -8.503 1.00 0.00 C ATOM 319 CG ASP A 662 15.513 -2.560 -9.555 1.00 0.00 C ATOM 320 OD1 ASP A 662 14.290 -2.670 -9.758 1.00 0.00 O ATOM 321 OD2 ASP A 662 16.222 -1.740 -10.173 1.00 0.00 O ATOM 0 H ASP A 662 17.120 -4.398 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 662 15.592 -2.002 -7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 662 17.244 -3.324 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 662 15.936 -4.481 -8.713 1.00 0.00 H new ATOM 326 N LEU A 663 13.542 -3.080 -5.978 1.00 0.00 N ATOM 327 CA LEU A 663 12.210 -3.569 -5.661 1.00 0.00 C ATOM 328 C LEU A 663 11.156 -2.788 -6.434 1.00 0.00 C ATOM 329 O LEU A 663 9.997 -2.722 -6.030 1.00 0.00 O ATOM 330 CB LEU A 663 11.927 -3.482 -4.156 1.00 0.00 C ATOM 331 CG LEU A 663 13.089 -3.002 -3.286 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.586 -2.054 -2.210 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.808 -4.187 -2.661 1.00 0.00 C ATOM 0 H LEU A 663 13.806 -2.224 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 663 12.164 -4.617 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.082 -2.811 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.619 -4.467 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 663 13.797 -2.464 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.424 -1.720 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.112 -1.191 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.860 -2.570 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.633 -3.829 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 663 13.110 -4.750 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.197 -4.833 -3.448 1.00 0.00 H new ATOM 345 N SER A 664 11.563 -2.210 -7.553 1.00 0.00 N ATOM 346 CA SER A 664 10.670 -1.408 -8.375 1.00 0.00 C ATOM 347 C SER A 664 9.556 -2.267 -8.981 1.00 0.00 C ATOM 348 O SER A 664 8.431 -1.803 -9.166 1.00 0.00 O ATOM 349 CB SER A 664 11.478 -0.708 -9.467 1.00 0.00 C ATOM 350 OG SER A 664 12.847 -0.611 -9.094 1.00 0.00 O ATOM 0 H SER A 664 12.514 -2.282 -7.915 1.00 0.00 H new ATOM 0 HA SER A 664 10.192 -0.655 -7.748 1.00 0.00 H new ATOM 0 HB2 SER A 664 11.389 -1.260 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 664 11.073 0.288 -9.645 1.00 0.00 H new ATOM 0 HG SER A 664 13.388 -1.176 -9.684 1.00 0.00 H new ATOM 356 N GLN A 665 9.871 -3.525 -9.268 1.00 0.00 N ATOM 357 CA GLN A 665 8.881 -4.461 -9.799 1.00 0.00 C ATOM 358 C GLN A 665 8.118 -5.119 -8.656 1.00 0.00 C ATOM 359 O GLN A 665 7.111 -5.794 -8.868 1.00 0.00 O ATOM 360 CB GLN A 665 9.543 -5.544 -10.660 1.00 0.00 C ATOM 361 CG GLN A 665 10.494 -5.008 -11.718 1.00 0.00 C ATOM 362 CD GLN A 665 11.864 -4.692 -11.158 1.00 0.00 C ATOM 363 OE1 GLN A 665 12.530 -5.555 -10.585 1.00 0.00 O ATOM 364 NE2 GLN A 665 12.282 -3.448 -11.304 1.00 0.00 N ATOM 0 H GLN A 665 10.802 -3.922 -9.143 1.00 0.00 H new ATOM 0 HA GLN A 665 8.191 -3.896 -10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 665 10.090 -6.226 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 665 8.764 -6.128 -11.151 1.00 0.00 H new ATOM 0 HG2 GLN A 665 10.592 -5.741 -12.519 1.00 0.00 H new ATOM 0 HG3 GLN A 665 10.069 -4.107 -12.161 1.00 0.00 H new ATOM 0 HE21 GLN A 665 11.696 -2.766 -11.786 1.00 0.00 H new ATOM 0 HE22 GLN A 665 13.191 -3.169 -10.935 1.00 0.00 H new ATOM 373 N TYR A 666 8.606 -4.911 -7.440 1.00 0.00 N ATOM 374 CA TYR A 666 7.998 -5.500 -6.255 1.00 0.00 C ATOM 375 C TYR A 666 6.953 -4.561 -5.667 1.00 0.00 C ATOM 376 O TYR A 666 6.257 -4.912 -4.718 1.00 0.00 O ATOM 377 CB TYR A 666 9.062 -5.807 -5.197 1.00 0.00 C ATOM 378 CG TYR A 666 9.890 -7.037 -5.490 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.292 -8.239 -5.856 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.275 -6.998 -5.396 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.054 -9.362 -6.120 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.041 -8.116 -5.656 1.00 0.00 C ATOM 383 CZ TYR A 666 11.427 -9.294 -6.019 1.00 0.00 C ATOM 384 OH TYR A 666 12.191 -10.408 -6.279 1.00 0.00 O ATOM 0 H TYR A 666 9.426 -4.335 -7.248 1.00 0.00 H new ATOM 0 HA TYR A 666 7.515 -6.430 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.727 -4.948 -5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.572 -5.934 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.216 -8.296 -5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.761 -6.076 -5.114 1.00 0.00 H new ATOM 0 HE1 TYR A 666 9.576 -10.288 -6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.117 -8.067 -5.575 1.00 0.00 H new ATOM 0 HH TYR A 666 13.139 -10.189 -6.163 1.00 0.00 H new ATOM 394 N LYS A 667 6.858 -3.366 -6.232 1.00 0.00 N ATOM 395 CA LYS A 667 5.902 -2.376 -5.767 1.00 0.00 C ATOM 396 C LYS A 667 4.510 -2.696 -6.298 1.00 0.00 C ATOM 397 O LYS A 667 4.361 -3.250 -7.393 1.00 0.00 O ATOM 398 CB LYS A 667 6.350 -0.964 -6.187 1.00 0.00 C ATOM 399 CG LYS A 667 5.624 -0.392 -7.395 1.00 0.00 C ATOM 400 CD LYS A 667 5.259 1.068 -7.181 1.00 0.00 C ATOM 401 CE LYS A 667 5.771 1.944 -8.312 1.00 0.00 C ATOM 402 NZ LYS A 667 7.124 2.489 -8.022 1.00 0.00 N ATOM 0 H LYS A 667 7.434 -3.059 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 667 5.861 -2.406 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 667 6.209 -0.288 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 667 7.418 -0.987 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 667 6.255 -0.485 -8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 667 4.720 -0.971 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 667 4.176 1.166 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 667 5.676 1.413 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 667 5.803 1.364 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 667 5.076 2.767 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 7.438 3.081 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 7.089 3.063 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 7.793 1.704 -7.890 1.00 0.00 H new ATOM 416 N MET A 668 3.498 -2.366 -5.516 1.00 0.00 N ATOM 417 CA MET A 668 2.123 -2.635 -5.903 1.00 0.00 C ATOM 418 C MET A 668 1.457 -1.380 -6.447 1.00 0.00 C ATOM 419 O MET A 668 1.809 -0.262 -6.066 1.00 0.00 O ATOM 420 CB MET A 668 1.323 -3.176 -4.715 1.00 0.00 C ATOM 421 CG MET A 668 1.112 -2.163 -3.598 1.00 0.00 C ATOM 422 SD MET A 668 -0.002 -2.769 -2.317 1.00 0.00 S ATOM 423 CE MET A 668 1.001 -4.050 -1.571 1.00 0.00 C ATOM 0 H MET A 668 3.601 -1.911 -4.609 1.00 0.00 H new ATOM 0 HA MET A 668 2.139 -3.389 -6.690 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.351 -3.518 -5.070 1.00 0.00 H new ATOM 0 HB3 MET A 668 1.838 -4.047 -4.309 1.00 0.00 H new ATOM 0 HG2 MET A 668 2.074 -1.915 -3.150 1.00 0.00 H new ATOM 0 HG3 MET A 668 0.709 -1.242 -4.019 1.00 0.00 H new ATOM 0 HE1 MET A 668 0.379 -4.919 -1.354 1.00 0.00 H new ATOM 0 HE2 MET A 668 1.797 -4.336 -2.259 1.00 0.00 H new ATOM 0 HE3 MET A 668 1.439 -3.677 -0.645 1.00 0.00 H new ATOM 433 N ASP A 669 0.510 -1.574 -7.350 1.00 0.00 N ATOM 434 CA ASP A 669 -0.269 -0.474 -7.897 1.00 0.00 C ATOM 435 C ASP A 669 -1.611 -0.399 -7.182 1.00 0.00 C ATOM 436 O ASP A 669 -2.481 -1.252 -7.372 1.00 0.00 O ATOM 437 CB ASP A 669 -0.469 -0.663 -9.405 1.00 0.00 C ATOM 438 CG ASP A 669 -1.591 0.188 -9.974 1.00 0.00 C ATOM 439 OD1 ASP A 669 -1.722 1.370 -9.583 1.00 0.00 O ATOM 440 OD2 ASP A 669 -2.344 -0.322 -10.829 1.00 0.00 O ATOM 0 H ASP A 669 0.260 -2.490 -7.722 1.00 0.00 H new ATOM 0 HA ASP A 669 0.268 0.462 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.460 -0.419 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.680 -1.713 -9.608 1.00 0.00 H new ATOM 445 N VAL A 670 -1.764 0.612 -6.343 1.00 0.00 N ATOM 446 CA VAL A 670 -2.985 0.783 -5.575 1.00 0.00 C ATOM 447 C VAL A 670 -4.031 1.528 -6.394 1.00 0.00 C ATOM 448 O VAL A 670 -4.036 2.759 -6.451 1.00 0.00 O ATOM 449 CB VAL A 670 -2.726 1.548 -4.258 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.929 1.453 -3.330 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.476 1.019 -3.563 1.00 0.00 C ATOM 0 H VAL A 670 -1.056 1.328 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 670 -3.354 -0.213 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.566 2.597 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.723 1.999 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.802 1.885 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -4.125 0.407 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.313 1.572 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.606 -0.039 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.614 1.145 -4.218 1.00 0.00 H new ATOM 461 N THR A 671 -4.902 0.774 -7.044 1.00 0.00 N ATOM 462 CA THR A 671 -6.001 1.357 -7.795 1.00 0.00 C ATOM 463 C THR A 671 -7.273 1.369 -6.959 1.00 0.00 C ATOM 464 O THR A 671 -7.689 0.337 -6.438 1.00 0.00 O ATOM 465 CB THR A 671 -6.269 0.586 -9.101 1.00 0.00 C ATOM 466 OG1 THR A 671 -5.029 0.194 -9.709 1.00 0.00 O ATOM 467 CG2 THR A 671 -7.073 1.442 -10.069 1.00 0.00 C ATOM 0 H THR A 671 -4.869 -0.245 -7.067 1.00 0.00 H new ATOM 0 HA THR A 671 -5.712 2.378 -8.044 1.00 0.00 H new ATOM 0 HB THR A 671 -6.845 -0.308 -8.862 1.00 0.00 H new ATOM 0 HG1 THR A 671 -5.212 -0.297 -10.537 1.00 0.00 H new ATOM 0 HG21 THR A 671 -7.253 0.882 -10.987 1.00 0.00 H new ATOM 0 HG22 THR A 671 -8.027 1.709 -9.613 1.00 0.00 H new ATOM 0 HG23 THR A 671 -6.516 2.349 -10.302 1.00 0.00 H new ATOM 475 N VAL A 672 -7.875 2.536 -6.808 1.00 0.00 N ATOM 476 CA VAL A 672 -9.134 2.641 -6.089 1.00 0.00 C ATOM 477 C VAL A 672 -10.309 2.463 -7.056 1.00 0.00 C ATOM 478 O VAL A 672 -10.343 3.065 -8.132 1.00 0.00 O ATOM 479 CB VAL A 672 -9.242 3.984 -5.324 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.386 5.167 -6.271 1.00 0.00 C ATOM 481 CG2 VAL A 672 -10.392 3.941 -4.329 1.00 0.00 C ATOM 0 H VAL A 672 -7.516 3.419 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 672 -9.169 1.844 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.312 4.124 -4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.459 6.089 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -8.516 5.217 -6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -10.287 5.044 -6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -10.452 4.893 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -11.326 3.761 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -10.222 3.138 -3.611 1.00 0.00 H new ATOM 491 N ILE A 673 -11.243 1.602 -6.685 1.00 0.00 N ATOM 492 CA ILE A 673 -12.379 1.289 -7.540 1.00 0.00 C ATOM 493 C ILE A 673 -13.554 2.215 -7.233 1.00 0.00 C ATOM 494 O ILE A 673 -13.920 2.411 -6.073 1.00 0.00 O ATOM 495 CB ILE A 673 -12.805 -0.192 -7.384 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.815 -1.107 -8.110 1.00 0.00 C ATOM 497 CG2 ILE A 673 -14.214 -0.417 -7.918 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.725 -1.659 -7.216 1.00 0.00 C ATOM 0 H ILE A 673 -11.237 1.105 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 673 -12.072 1.446 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.801 -0.434 -6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.362 -1.938 -8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -11.355 -0.553 -8.928 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.486 -1.465 -7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.916 0.207 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -14.249 -0.154 -8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.063 -2.298 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -10.152 -0.835 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.174 -2.242 -6.412 1.00 0.00 H new ATOM 510 N ASP A 674 -14.138 2.780 -8.280 1.00 0.00 N ATOM 511 CA ASP A 674 -15.220 3.743 -8.135 1.00 0.00 C ATOM 512 C ASP A 674 -16.578 3.062 -8.215 1.00 0.00 C ATOM 513 O ASP A 674 -16.846 2.286 -9.134 1.00 0.00 O ATOM 514 CB ASP A 674 -15.118 4.818 -9.221 1.00 0.00 C ATOM 515 CG ASP A 674 -16.343 5.712 -9.293 1.00 0.00 C ATOM 516 OD1 ASP A 674 -17.318 5.345 -9.983 1.00 0.00 O ATOM 517 OD2 ASP A 674 -16.328 6.799 -8.674 1.00 0.00 O ATOM 0 H ASP A 674 -13.878 2.586 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 674 -15.126 4.207 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -14.238 5.433 -9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -14.970 4.336 -10.188 1.00 0.00 H new ATOM 522 N THR A 675 -17.424 3.343 -7.240 1.00 0.00 N ATOM 523 CA THR A 675 -18.803 2.899 -7.277 1.00 0.00 C ATOM 524 C THR A 675 -19.728 4.110 -7.211 1.00 0.00 C ATOM 525 O THR A 675 -19.608 4.949 -6.315 1.00 0.00 O ATOM 526 CB THR A 675 -19.131 1.907 -6.130 1.00 0.00 C ATOM 527 OG1 THR A 675 -20.547 1.681 -6.056 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.632 2.422 -4.787 1.00 0.00 C ATOM 0 H THR A 675 -17.177 3.880 -6.409 1.00 0.00 H new ATOM 0 HA THR A 675 -18.958 2.364 -8.214 1.00 0.00 H new ATOM 0 HB THR A 675 -18.620 0.970 -6.352 1.00 0.00 H new ATOM 0 HG1 THR A 675 -20.740 1.052 -5.330 1.00 0.00 H new ATOM 0 HG21 THR A 675 -18.879 1.702 -4.007 1.00 0.00 H new ATOM 0 HG22 THR A 675 -17.551 2.557 -4.828 1.00 0.00 H new ATOM 0 HG23 THR A 675 -19.108 3.377 -4.564 1.00 0.00 H new ATOM 536 N LYS A 676 -20.621 4.221 -8.181 1.00 0.00 N ATOM 537 CA LYS A 676 -21.568 5.324 -8.216 1.00 0.00 C ATOM 538 C LYS A 676 -22.939 4.855 -7.758 1.00 0.00 C ATOM 539 O LYS A 676 -23.935 5.574 -7.849 1.00 0.00 O ATOM 540 CB LYS A 676 -21.646 5.915 -9.618 1.00 0.00 C ATOM 541 CG LYS A 676 -21.454 7.415 -9.623 1.00 0.00 C ATOM 542 CD LYS A 676 -20.039 7.799 -10.028 1.00 0.00 C ATOM 543 CE LYS A 676 -19.783 7.526 -11.503 1.00 0.00 C ATOM 544 NZ LYS A 676 -18.424 6.966 -11.738 1.00 0.00 N ATOM 0 H LYS A 676 -20.710 3.562 -8.954 1.00 0.00 H new ATOM 0 HA LYS A 676 -21.222 6.102 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -20.886 5.452 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -22.614 5.674 -10.058 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -22.166 7.871 -10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -21.670 7.813 -8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -19.875 8.856 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -19.323 7.240 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -20.532 6.829 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -19.897 8.451 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -18.432 6.387 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -17.742 7.744 -11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -18.147 6.375 -10.928 1.00 0.00 H new ATOM 558 N ASP A 677 -22.957 3.642 -7.252 1.00 0.00 N ATOM 559 CA ASP A 677 -24.163 3.023 -6.749 1.00 0.00 C ATOM 560 C ASP A 677 -24.180 3.125 -5.234 1.00 0.00 C ATOM 561 O ASP A 677 -23.197 2.805 -4.561 1.00 0.00 O ATOM 562 CB ASP A 677 -24.244 1.564 -7.221 1.00 0.00 C ATOM 563 CG ASP A 677 -24.804 0.614 -6.179 1.00 0.00 C ATOM 564 OD1 ASP A 677 -26.021 0.663 -5.911 1.00 0.00 O ATOM 565 OD2 ASP A 677 -24.030 -0.207 -5.641 1.00 0.00 O ATOM 0 H ASP A 677 -22.128 3.052 -7.177 1.00 0.00 H new ATOM 0 HA ASP A 677 -25.040 3.541 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 677 -24.865 1.515 -8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 677 -23.247 1.228 -7.507 1.00 0.00 H new ATOM 570 N GLY A 678 -25.285 3.615 -4.714 1.00 0.00 N ATOM 571 CA GLY A 678 -25.414 3.823 -3.285 1.00 0.00 C ATOM 572 C GLY A 678 -25.121 5.258 -2.894 1.00 0.00 C ATOM 573 O GLY A 678 -25.464 5.701 -1.797 1.00 0.00 O ATOM 0 H GLY A 678 -26.107 3.877 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -26.424 3.560 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -24.731 3.156 -2.758 1.00 0.00 H new ATOM 577 N SER A 679 -24.477 5.986 -3.796 1.00 0.00 N ATOM 578 CA SER A 679 -24.131 7.379 -3.555 1.00 0.00 C ATOM 579 C SER A 679 -25.218 8.318 -4.080 1.00 0.00 C ATOM 580 O SER A 679 -25.239 9.507 -3.754 1.00 0.00 O ATOM 581 CB SER A 679 -22.795 7.691 -4.228 1.00 0.00 C ATOM 582 OG SER A 679 -22.304 6.552 -4.922 1.00 0.00 O ATOM 0 H SER A 679 -24.182 5.632 -4.706 1.00 0.00 H new ATOM 0 HA SER A 679 -24.047 7.536 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 679 -22.918 8.522 -4.923 1.00 0.00 H new ATOM 0 HB3 SER A 679 -22.070 8.007 -3.478 1.00 0.00 H new ATOM 0 HG SER A 679 -21.449 6.772 -5.348 1.00 0.00 H new ATOM 588 N GLN A 680 -26.121 7.773 -4.888 1.00 0.00 N ATOM 589 CA GLN A 680 -27.164 8.572 -5.520 1.00 0.00 C ATOM 590 C GLN A 680 -28.527 7.897 -5.387 1.00 0.00 C ATOM 591 O GLN A 680 -29.413 8.096 -6.220 1.00 0.00 O ATOM 592 CB GLN A 680 -26.832 8.785 -6.999 1.00 0.00 C ATOM 593 CG GLN A 680 -26.670 10.248 -7.386 1.00 0.00 C ATOM 594 CD GLN A 680 -25.219 10.684 -7.468 1.00 0.00 C ATOM 595 OE1 GLN A 680 -24.330 9.745 -7.755 1.00 0.00 O flip ATOM 596 NE2 GLN A 680 -24.901 11.860 -7.280 1.00 0.00 N flip ATOM 0 H GLN A 680 -26.151 6.780 -5.121 1.00 0.00 H new ATOM 0 HA GLN A 680 -27.209 9.537 -5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 680 -25.911 8.252 -7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 680 -27.622 8.343 -7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 680 -27.149 10.418 -8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 680 -27.190 10.870 -6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 680 -25.617 12.553 -7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 680 -23.922 12.140 -7.343 1.00 0.00 H new ATOM 605 N SER A 681 -28.697 7.112 -4.328 1.00 0.00 N ATOM 606 CA SER A 681 -29.929 6.356 -4.118 1.00 0.00 C ATOM 607 C SER A 681 -31.110 7.276 -3.819 1.00 0.00 C ATOM 608 O SER A 681 -32.259 6.934 -4.099 1.00 0.00 O ATOM 609 CB SER A 681 -29.746 5.358 -2.975 1.00 0.00 C ATOM 610 OG SER A 681 -28.372 5.169 -2.682 1.00 0.00 O ATOM 0 H SER A 681 -27.995 6.982 -3.599 1.00 0.00 H new ATOM 0 HA SER A 681 -30.148 5.817 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 681 -30.265 5.718 -2.087 1.00 0.00 H new ATOM 0 HB3 SER A 681 -30.199 4.404 -3.244 1.00 0.00 H new ATOM 0 HG SER A 681 -28.280 4.528 -1.947 1.00 0.00 H new ATOM 616 N LYS A 682 -30.829 8.447 -3.259 1.00 0.00 N ATOM 617 CA LYS A 682 -31.879 9.400 -2.928 1.00 0.00 C ATOM 618 C LYS A 682 -32.261 10.218 -4.156 1.00 0.00 C ATOM 619 O LYS A 682 -33.324 10.837 -4.198 1.00 0.00 O ATOM 620 CB LYS A 682 -31.430 10.329 -1.799 1.00 0.00 C ATOM 621 CG LYS A 682 -32.157 10.087 -0.490 1.00 0.00 C ATOM 622 CD LYS A 682 -31.353 9.181 0.426 1.00 0.00 C ATOM 623 CE LYS A 682 -31.888 9.211 1.846 1.00 0.00 C ATOM 624 NZ LYS A 682 -32.042 7.845 2.414 1.00 0.00 N ATOM 0 H LYS A 682 -29.886 8.758 -3.026 1.00 0.00 H new ATOM 0 HA LYS A 682 -32.752 8.841 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 682 -30.359 10.202 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 682 -31.586 11.363 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 682 -32.342 11.039 0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 682 -33.129 9.637 -0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 682 -31.382 8.160 0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 682 -30.309 9.493 0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 682 -31.213 9.791 2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 682 -32.852 9.720 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 682 -32.410 7.912 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 682 -32.706 7.299 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 682 -31.118 7.368 2.426 1.00 0.00 H new ATOM 638 N LEU A 683 -31.388 10.217 -5.149 1.00 0.00 N ATOM 639 CA LEU A 683 -31.643 10.931 -6.391 1.00 0.00 C ATOM 640 C LEU A 683 -32.370 10.026 -7.376 1.00 0.00 C ATOM 641 O LEU A 683 -33.337 10.439 -8.015 1.00 0.00 O ATOM 642 CB LEU A 683 -30.331 11.434 -6.999 1.00 0.00 C ATOM 643 CG LEU A 683 -29.904 12.829 -6.548 1.00 0.00 C ATOM 644 CD1 LEU A 683 -28.909 12.736 -5.402 1.00 0.00 C ATOM 645 CD2 LEU A 683 -29.309 13.605 -7.712 1.00 0.00 C ATOM 0 H LEU A 683 -30.493 9.728 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 683 -32.275 11.792 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 683 -29.538 10.729 -6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 683 -30.427 11.433 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 683 -30.786 13.363 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 683 -28.615 13.739 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 683 -29.370 12.218 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 683 -28.028 12.184 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 683 -29.010 14.597 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 683 -28.437 13.074 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 683 -30.052 13.701 -8.503 1.00 0.00 H new ATOM 657 N GLY A 684 -31.906 8.790 -7.485 1.00 0.00 N ATOM 658 CA GLY A 684 -32.542 7.838 -8.367 1.00 0.00 C ATOM 659 C GLY A 684 -31.675 7.489 -9.558 1.00 0.00 C ATOM 660 O GLY A 684 -31.283 8.368 -10.329 1.00 0.00 O ATOM 0 H GLY A 684 -31.098 8.430 -6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 684 -32.774 6.930 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 684 -33.489 8.248 -8.718 1.00 0.00 H new ATOM 664 N GLY A 685 -31.378 6.207 -9.712 1.00 0.00 N ATOM 665 CA GLY A 685 -30.558 5.757 -10.822 1.00 0.00 C ATOM 666 C GLY A 685 -31.371 5.566 -12.086 1.00 0.00 C ATOM 667 O GLY A 685 -31.460 4.458 -12.618 1.00 0.00 O ATOM 0 H GLY A 685 -31.691 5.466 -9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 685 -29.767 6.483 -11.006 1.00 0.00 H new ATOM 0 HA3 GLY A 685 -30.073 4.817 -10.557 1.00 0.00 H new ATOM 671 N GLY A 901 -31.971 6.648 -12.557 1.00 0.00 N ATOM 672 CA GLY A 901 -32.815 6.579 -13.732 1.00 0.00 C ATOM 673 C GLY A 901 -32.113 7.076 -14.978 1.00 0.00 C ATOM 674 O GLY A 901 -31.447 8.114 -14.953 1.00 0.00 O ATOM 0 H GLY A 901 -31.888 7.577 -12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 901 -33.135 5.549 -13.886 1.00 0.00 H new ATOM 0 HA3 GLY A 901 -33.715 7.171 -13.565 1.00 0.00 H new ATOM 678 N GLY A 902 -32.255 6.331 -16.068 1.00 0.00 N ATOM 679 CA GLY A 902 -31.644 6.718 -17.325 1.00 0.00 C ATOM 680 C GLY A 902 -30.263 6.123 -17.507 1.00 0.00 C ATOM 681 O GLY A 902 -29.774 5.998 -18.633 1.00 0.00 O ATOM 0 H GLY A 902 -32.786 5.461 -16.103 1.00 0.00 H new ATOM 0 HA2 GLY A 902 -32.284 6.401 -18.149 1.00 0.00 H new ATOM 0 HA3 GLY A 902 -31.577 7.805 -17.373 1.00 0.00 H new ATOM 685 N SER A 903 -29.642 5.747 -16.398 1.00 0.00 N ATOM 686 CA SER A 903 -28.299 5.188 -16.405 1.00 0.00 C ATOM 687 C SER A 903 -28.308 3.720 -16.842 1.00 0.00 C ATOM 688 O SER A 903 -28.136 2.814 -16.026 1.00 0.00 O ATOM 689 CB SER A 903 -27.689 5.329 -15.010 1.00 0.00 C ATOM 690 OG SER A 903 -28.451 6.234 -14.219 1.00 0.00 O ATOM 0 H SER A 903 -30.056 5.821 -15.469 1.00 0.00 H new ATOM 0 HA SER A 903 -27.694 5.738 -17.126 1.00 0.00 H new ATOM 0 HB2 SER A 903 -27.652 4.354 -14.523 1.00 0.00 H new ATOM 0 HB3 SER A 903 -26.662 5.684 -15.091 1.00 0.00 H new ATOM 0 HG SER A 903 -28.047 6.311 -13.329 1.00 0.00 H new ATOM 696 N GLY A 904 -28.508 3.498 -18.135 1.00 0.00 N ATOM 697 CA GLY A 904 -28.546 2.146 -18.662 1.00 0.00 C ATOM 698 C GLY A 904 -27.184 1.482 -18.655 1.00 0.00 C ATOM 699 O GLY A 904 -27.078 0.259 -18.570 1.00 0.00 O ATOM 0 H GLY A 904 -28.645 4.232 -18.830 1.00 0.00 H new ATOM 0 HA2 GLY A 904 -29.241 1.549 -18.072 1.00 0.00 H new ATOM 0 HA3 GLY A 904 -28.931 2.168 -19.682 1.00 0.00 H new ATOM 703 N GLY A 905 -26.137 2.293 -18.727 1.00 0.00 N ATOM 704 CA GLY A 905 -24.790 1.762 -18.750 1.00 0.00 C ATOM 705 C GLY A 905 -24.172 1.712 -17.369 1.00 0.00 C ATOM 706 O GLY A 905 -22.953 1.608 -17.228 1.00 0.00 O ATOM 0 H GLY A 905 -26.197 3.310 -18.770 1.00 0.00 H new ATOM 0 HA2 GLY A 905 -24.804 0.759 -19.177 1.00 0.00 H new ATOM 0 HA3 GLY A 905 -24.170 2.377 -19.402 1.00 0.00 H new ATOM 710 N HIS A 906 -25.013 1.791 -16.349 1.00 0.00 N ATOM 711 CA HIS A 906 -24.546 1.751 -14.976 1.00 0.00 C ATOM 712 C HIS A 906 -25.168 0.578 -14.238 1.00 0.00 C ATOM 713 O HIS A 906 -26.380 0.363 -14.300 1.00 0.00 O ATOM 714 CB HIS A 906 -24.875 3.057 -14.255 1.00 0.00 C ATOM 715 CG HIS A 906 -23.661 3.806 -13.809 1.00 0.00 C ATOM 716 ND1 HIS A 906 -22.938 4.644 -14.623 1.00 0.00 N ATOM 717 CD2 HIS A 906 -23.037 3.824 -12.604 1.00 0.00 C ATOM 718 CE1 HIS A 906 -21.921 5.139 -13.907 1.00 0.00 C ATOM 719 NE2 HIS A 906 -21.937 4.672 -12.673 1.00 0.00 N ATOM 0 H HIS A 906 -26.024 1.883 -16.449 1.00 0.00 H new ATOM 0 HA HIS A 906 -23.463 1.625 -14.989 1.00 0.00 H new ATOM 0 HB2 HIS A 906 -25.463 3.692 -14.918 1.00 0.00 H new ATOM 0 HB3 HIS A 906 -25.498 2.839 -13.388 1.00 0.00 H new ATOM 0 HD1 HIS A 906 -23.140 4.852 -15.601 1.00 0.00 H new ATOM 0 HD2 HIS A 906 -23.345 3.268 -11.731 1.00 0.00 H new ATOM 0 HE1 HIS A 906 -21.184 5.830 -14.289 1.00 0.00 H new ATOM 727 N MET A 907 -24.329 -0.186 -13.558 1.00 0.00 N ATOM 728 CA MET A 907 -24.788 -1.328 -12.785 1.00 0.00 C ATOM 729 C MET A 907 -24.861 -0.964 -11.310 1.00 0.00 C ATOM 730 O MET A 907 -24.100 -0.120 -10.833 1.00 0.00 O ATOM 731 CB MET A 907 -23.855 -2.525 -12.984 1.00 0.00 C ATOM 732 CG MET A 907 -24.323 -3.489 -14.062 1.00 0.00 C ATOM 733 SD MET A 907 -23.082 -3.754 -15.344 1.00 0.00 S ATOM 734 CE MET A 907 -23.762 -5.187 -16.178 1.00 0.00 C ATOM 0 H MET A 907 -23.321 -0.035 -13.526 1.00 0.00 H new ATOM 0 HA MET A 907 -25.783 -1.604 -13.134 1.00 0.00 H new ATOM 0 HB2 MET A 907 -22.860 -2.161 -13.241 1.00 0.00 H new ATOM 0 HB3 MET A 907 -23.763 -3.064 -12.041 1.00 0.00 H new ATOM 0 HG2 MET A 907 -24.576 -4.445 -13.604 1.00 0.00 H new ATOM 0 HG3 MET A 907 -25.234 -3.103 -14.518 1.00 0.00 H new ATOM 0 HE1 MET A 907 -23.106 -5.475 -17.000 1.00 0.00 H new ATOM 0 HE2 MET A 907 -23.844 -6.014 -15.472 1.00 0.00 H new ATOM 0 HE3 MET A 907 -24.750 -4.945 -16.570 1.00 0.00 H new ATOM 744 N GLY A 908 -25.781 -1.590 -10.597 1.00 0.00 N ATOM 745 CA GLY A 908 -25.909 -1.335 -9.180 1.00 0.00 C ATOM 746 C GLY A 908 -25.325 -2.458 -8.352 1.00 0.00 C ATOM 747 O GLY A 908 -24.562 -3.282 -8.864 1.00 0.00 O ATOM 0 H GLY A 908 -26.441 -2.270 -10.974 1.00 0.00 H new ATOM 0 HA2 GLY A 908 -25.405 -0.401 -8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 908 -26.962 -1.207 -8.927 1.00 0.00 H new ATOM 751 N SER A 909 -25.672 -2.492 -7.076 1.00 0.00 N ATOM 752 CA SER A 909 -25.220 -3.551 -6.188 1.00 0.00 C ATOM 753 C SER A 909 -25.942 -4.857 -6.524 1.00 0.00 C ATOM 754 O SER A 909 -27.067 -5.091 -6.075 1.00 0.00 O ATOM 755 CB SER A 909 -25.475 -3.149 -4.732 1.00 0.00 C ATOM 756 OG SER A 909 -26.129 -1.889 -4.666 1.00 0.00 O ATOM 0 H SER A 909 -26.268 -1.795 -6.630 1.00 0.00 H new ATOM 0 HA SER A 909 -24.150 -3.705 -6.323 1.00 0.00 H new ATOM 0 HB2 SER A 909 -26.085 -3.907 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 909 -24.530 -3.102 -4.191 1.00 0.00 H new ATOM 0 HG SER A 909 -26.285 -1.650 -3.728 1.00 0.00 H new ATOM 762 N GLY A 910 -25.302 -5.690 -7.339 1.00 0.00 N ATOM 763 CA GLY A 910 -25.904 -6.944 -7.751 1.00 0.00 C ATOM 764 C GLY A 910 -25.821 -8.007 -6.675 1.00 0.00 C ATOM 765 O GLY A 910 -25.035 -8.952 -6.785 1.00 0.00 O ATOM 0 H GLY A 910 -24.373 -5.517 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 910 -26.949 -6.774 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 910 -25.407 -7.304 -8.652 1.00 0.00 H new ATOM 769 N GLY A 911 -26.619 -7.847 -5.631 1.00 0.00 N ATOM 770 CA GLY A 911 -26.648 -8.819 -4.560 1.00 0.00 C ATOM 771 C GLY A 911 -26.285 -8.207 -3.225 1.00 0.00 C ATOM 772 O GLY A 911 -26.224 -6.984 -3.095 1.00 0.00 O ATOM 0 H GLY A 911 -27.251 -7.056 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 911 -27.643 -9.259 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 911 -25.955 -9.629 -4.787 1.00 0.00 H new ATOM 776 N LEU A 18 -26.044 -9.053 -2.234 1.00 0.00 N ATOM 777 CA LEU A 18 -25.688 -8.583 -0.903 1.00 0.00 C ATOM 778 C LEU A 18 -24.247 -8.950 -0.575 1.00 0.00 C ATOM 779 O LEU A 18 -23.767 -8.695 0.526 1.00 0.00 O ATOM 780 CB LEU A 18 -26.633 -9.184 0.146 1.00 0.00 C ATOM 781 CG LEU A 18 -27.622 -8.200 0.781 1.00 0.00 C ATOM 782 CD1 LEU A 18 -26.883 -7.054 1.449 1.00 0.00 C ATOM 783 CD2 LEU A 18 -28.597 -7.677 -0.262 1.00 0.00 C ATOM 0 H LEU A 18 -26.088 -10.068 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 18 -25.786 -7.498 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -27.198 -9.992 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -26.032 -9.631 0.938 1.00 0.00 H new ATOM 0 HG LEU A 18 -28.190 -8.729 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -27.603 -6.367 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -26.229 -7.447 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -26.286 -6.524 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -29.292 -6.980 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -28.046 -7.165 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -29.153 -8.511 -0.690 1.00 0.00 H new ATOM 795 N SER A 19 -23.562 -9.553 -1.535 1.00 0.00 N ATOM 796 CA SER A 19 -22.189 -9.979 -1.334 1.00 0.00 C ATOM 797 C SER A 19 -21.222 -8.882 -1.757 1.00 0.00 C ATOM 798 O SER A 19 -20.169 -8.704 -1.146 1.00 0.00 O ATOM 799 CB SER A 19 -21.915 -11.259 -2.126 1.00 0.00 C ATOM 800 OG SER A 19 -23.050 -11.635 -2.896 1.00 0.00 O ATOM 0 H SER A 19 -23.937 -9.758 -2.461 1.00 0.00 H new ATOM 0 HA SER A 19 -22.040 -10.181 -0.273 1.00 0.00 H new ATOM 0 HB2 SER A 19 -21.059 -11.108 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 19 -21.652 -12.065 -1.441 1.00 0.00 H new ATOM 0 HG SER A 19 -22.850 -12.455 -3.395 1.00 0.00 H new ATOM 806 N TRP A 20 -21.605 -8.150 -2.804 1.00 0.00 N ATOM 807 CA TRP A 20 -20.788 -7.072 -3.355 1.00 0.00 C ATOM 808 C TRP A 20 -19.434 -7.608 -3.799 1.00 0.00 C ATOM 809 O TRP A 20 -19.319 -8.246 -4.849 1.00 0.00 O ATOM 810 CB TRP A 20 -20.609 -5.933 -2.341 1.00 0.00 C ATOM 811 CG TRP A 20 -21.856 -5.596 -1.578 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.112 -5.423 -2.083 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.960 -5.393 -0.164 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.988 -5.125 -1.070 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.306 -5.100 0.116 1.00 0.00 C ATOM 816 CE3 TRP A 20 -21.046 -5.430 0.891 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.761 -4.847 1.407 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.498 -5.178 2.172 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.846 -4.889 2.420 1.00 0.00 C ATOM 0 H TRP A 20 -22.490 -8.289 -3.292 1.00 0.00 H new ATOM 0 HA TRP A 20 -21.308 -6.667 -4.223 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.826 -6.209 -1.635 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.265 -5.042 -2.867 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.377 -5.508 -3.126 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.987 -4.950 -1.183 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -20.005 -5.652 0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.800 -4.625 1.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.800 -5.204 2.996 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.168 -4.696 3.433 1.00 0.00 H new ATOM 830 N LYS A 21 -18.418 -7.348 -3.002 1.00 0.00 N ATOM 831 CA LYS A 21 -17.090 -7.845 -3.276 1.00 0.00 C ATOM 832 C LYS A 21 -16.467 -8.392 -2.003 1.00 0.00 C ATOM 833 O LYS A 21 -16.536 -7.759 -0.951 1.00 0.00 O ATOM 834 CB LYS A 21 -16.220 -6.734 -3.863 1.00 0.00 C ATOM 835 CG LYS A 21 -15.438 -7.163 -5.091 1.00 0.00 C ATOM 836 CD LYS A 21 -16.307 -7.956 -6.054 1.00 0.00 C ATOM 837 CE LYS A 21 -15.812 -7.846 -7.485 1.00 0.00 C ATOM 838 NZ LYS A 21 -16.678 -6.964 -8.312 1.00 0.00 N ATOM 0 H LYS A 21 -18.491 -6.789 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.158 -8.652 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.854 -5.886 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.522 -6.388 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.041 -6.283 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.584 -7.768 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.319 -9.004 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.334 -7.596 -5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.794 -7.458 -7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.775 -8.839 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.302 -6.918 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.645 -7.347 -8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.693 -6.009 -7.901 1.00 0.00 H new ATOM 852 N ARG A 22 -15.890 -9.578 -2.097 1.00 0.00 N ATOM 853 CA ARG A 22 -15.247 -10.203 -0.954 1.00 0.00 C ATOM 854 C ARG A 22 -13.748 -9.944 -0.982 1.00 0.00 C ATOM 855 O ARG A 22 -13.089 -10.174 -2.000 1.00 0.00 O ATOM 856 CB ARG A 22 -15.520 -11.706 -0.942 1.00 0.00 C ATOM 857 CG ARG A 22 -16.907 -12.066 -0.434 1.00 0.00 C ATOM 858 CD ARG A 22 -16.896 -13.374 0.339 1.00 0.00 C ATOM 859 NE ARG A 22 -16.522 -14.507 -0.506 1.00 0.00 N ATOM 860 CZ ARG A 22 -17.380 -15.199 -1.260 1.00 0.00 C ATOM 861 NH1 ARG A 22 -18.678 -14.914 -1.238 1.00 0.00 N ATOM 862 NH2 ARG A 22 -16.937 -16.189 -2.028 1.00 0.00 N ATOM 0 H ARG A 22 -15.854 -10.128 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.662 -9.766 -0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.399 -12.097 -1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.774 -12.198 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.279 -11.267 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.594 -12.146 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.197 -13.297 1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.883 -13.551 0.766 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.541 -14.787 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.025 -14.162 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.327 -15.447 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.943 -16.419 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.591 -16.719 -2.605 1.00 0.00 H new ATOM 876 N CYS A 23 -13.210 -9.478 0.134 1.00 0.00 N ATOM 877 CA CYS A 23 -11.810 -9.112 0.212 1.00 0.00 C ATOM 878 C CYS A 23 -10.921 -10.318 0.495 1.00 0.00 C ATOM 879 O CYS A 23 -11.377 -11.341 1.012 1.00 0.00 O ATOM 880 CB CYS A 23 -11.609 -8.053 1.281 1.00 0.00 C ATOM 881 SG CYS A 23 -12.357 -8.445 2.891 1.00 0.00 S ATOM 0 H CYS A 23 -13.728 -9.345 1.002 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.519 -8.710 -0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.539 -7.897 1.421 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.025 -7.111 0.923 1.00 0.00 H new ATOM 886 N ALA A 24 -9.655 -10.195 0.132 1.00 0.00 N ATOM 887 CA ALA A 24 -8.691 -11.268 0.336 1.00 0.00 C ATOM 888 C ALA A 24 -8.202 -11.321 1.784 1.00 0.00 C ATOM 889 O ALA A 24 -7.566 -12.292 2.194 1.00 0.00 O ATOM 890 CB ALA A 24 -7.515 -11.110 -0.610 1.00 0.00 C ATOM 0 H ALA A 24 -9.268 -9.360 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.197 -12.209 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.804 -11.919 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.870 -11.143 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.025 -10.154 -0.425 1.00 0.00 H new ATOM 896 N GLY A 25 -8.501 -10.284 2.554 1.00 0.00 N ATOM 897 CA GLY A 25 -8.089 -10.253 3.945 1.00 0.00 C ATOM 898 C GLY A 25 -9.114 -10.901 4.855 1.00 0.00 C ATOM 899 O GLY A 25 -9.071 -12.116 5.063 1.00 0.00 O ATOM 0 H GLY A 25 -9.021 -9.464 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.133 -10.766 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.932 -9.220 4.254 1.00 0.00 H new ATOM 903 N CYS A 26 -10.038 -10.089 5.391 1.00 0.00 N ATOM 904 CA CYS A 26 -11.129 -10.591 6.230 1.00 0.00 C ATOM 905 C CYS A 26 -11.819 -11.786 5.575 1.00 0.00 C ATOM 906 O CYS A 26 -12.064 -12.807 6.219 1.00 0.00 O ATOM 907 CB CYS A 26 -12.182 -9.499 6.500 1.00 0.00 C ATOM 908 SG CYS A 26 -11.555 -7.786 6.509 1.00 0.00 S ATOM 0 H CYS A 26 -10.048 -9.078 5.255 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.682 -10.899 7.175 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.963 -9.577 5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.650 -9.701 7.463 1.00 0.00 H new ATOM 913 N GLY A 27 -12.124 -11.645 4.293 1.00 0.00 N ATOM 914 CA GLY A 27 -12.839 -12.684 3.584 1.00 0.00 C ATOM 915 C GLY A 27 -14.331 -12.478 3.679 1.00 0.00 C ATOM 916 O GLY A 27 -15.122 -13.395 3.441 1.00 0.00 O ATOM 0 H GLY A 27 -11.888 -10.827 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.535 -12.689 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.576 -13.658 3.997 1.00 0.00 H new ATOM 920 N GLY A 28 -14.711 -11.261 4.030 1.00 0.00 N ATOM 921 CA GLY A 28 -16.107 -10.928 4.169 1.00 0.00 C ATOM 922 C GLY A 28 -16.584 -10.041 3.047 1.00 0.00 C ATOM 923 O GLY A 28 -16.006 -10.041 1.964 1.00 0.00 O ATOM 0 H GLY A 28 -14.069 -10.492 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.699 -11.843 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.268 -10.426 5.123 1.00 0.00 H new ATOM 927 N LYS A 29 -17.637 -9.287 3.304 1.00 0.00 N ATOM 928 CA LYS A 29 -18.167 -8.366 2.317 1.00 0.00 C ATOM 929 C LYS A 29 -17.532 -6.999 2.508 1.00 0.00 C ATOM 930 O LYS A 29 -17.565 -6.449 3.611 1.00 0.00 O ATOM 931 CB LYS A 29 -19.689 -8.255 2.456 1.00 0.00 C ATOM 932 CG LYS A 29 -20.443 -9.514 2.053 1.00 0.00 C ATOM 933 CD LYS A 29 -21.431 -9.946 3.126 1.00 0.00 C ATOM 934 CE LYS A 29 -22.484 -8.878 3.387 1.00 0.00 C ATOM 935 NZ LYS A 29 -23.293 -9.183 4.596 1.00 0.00 N ATOM 0 H LYS A 29 -18.143 -9.295 4.190 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.934 -8.741 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.932 -8.014 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.039 -7.423 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -20.975 -9.336 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.733 -10.320 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.919 -10.871 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -20.894 -10.160 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.997 -7.910 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -23.141 -8.796 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.999 -8.433 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.778 -10.094 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -22.669 -9.236 5.427 1.00 0.00 H new ATOM 949 N ILE A 30 -16.926 -6.465 1.457 1.00 0.00 N ATOM 950 CA ILE A 30 -16.339 -5.140 1.530 1.00 0.00 C ATOM 951 C ILE A 30 -17.444 -4.101 1.645 1.00 0.00 C ATOM 952 O ILE A 30 -18.171 -3.830 0.689 1.00 0.00 O ATOM 953 CB ILE A 30 -15.453 -4.828 0.301 1.00 0.00 C ATOM 954 CG1 ILE A 30 -14.218 -5.730 0.293 1.00 0.00 C ATOM 955 CG2 ILE A 30 -15.034 -3.364 0.290 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.569 -5.855 -1.069 1.00 0.00 C ATOM 0 H ILE A 30 -16.830 -6.926 0.552 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.699 -5.107 2.412 1.00 0.00 H new ATOM 0 HB ILE A 30 -16.039 -5.023 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.487 -5.338 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.501 -6.722 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.412 -3.170 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.921 -2.732 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.469 -3.141 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.700 -6.509 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.284 -6.276 -1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.255 -4.870 -1.414 1.00 0.00 H new ATOM 968 N ALA A 31 -17.565 -3.525 2.828 1.00 0.00 N ATOM 969 CA ALA A 31 -18.583 -2.525 3.083 1.00 0.00 C ATOM 970 C ALA A 31 -17.941 -1.178 3.348 1.00 0.00 C ATOM 971 O ALA A 31 -18.553 -0.283 3.930 1.00 0.00 O ATOM 972 CB ALA A 31 -19.468 -2.946 4.247 1.00 0.00 C ATOM 0 H ALA A 31 -16.968 -3.734 3.628 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.213 -2.435 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.226 -2.182 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.955 -3.892 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.859 -3.065 5.143 1.00 0.00 H new ATOM 978 N ASP A 32 -16.699 -1.040 2.907 1.00 0.00 N ATOM 979 CA ASP A 32 -15.975 0.215 3.051 1.00 0.00 C ATOM 980 C ASP A 32 -16.296 1.150 1.892 1.00 0.00 C ATOM 981 O ASP A 32 -15.665 2.199 1.738 1.00 0.00 O ATOM 982 CB ASP A 32 -14.472 -0.037 3.105 1.00 0.00 C ATOM 983 CG ASP A 32 -13.924 -0.008 4.517 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.596 0.538 5.415 1.00 0.00 O ATOM 985 OD2 ASP A 32 -12.811 -0.534 4.732 1.00 0.00 O ATOM 0 H ASP A 32 -16.171 -1.782 2.446 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.289 0.683 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.254 -1.006 2.655 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.960 0.716 2.506 1.00 0.00 H new ATOM 990 N ARG A 33 -17.277 0.741 1.081 1.00 0.00 N ATOM 991 CA ARG A 33 -17.748 1.501 -0.080 1.00 0.00 C ATOM 992 C ARG A 33 -16.739 1.451 -1.222 1.00 0.00 C ATOM 993 O ARG A 33 -17.017 0.882 -2.275 1.00 0.00 O ATOM 994 CB ARG A 33 -18.060 2.955 0.289 1.00 0.00 C ATOM 995 CG ARG A 33 -19.299 3.500 -0.398 1.00 0.00 C ATOM 996 CD ARG A 33 -19.192 4.997 -0.632 1.00 0.00 C ATOM 997 NE ARG A 33 -20.402 5.696 -0.208 1.00 0.00 N ATOM 998 CZ ARG A 33 -20.661 6.974 -0.473 1.00 0.00 C ATOM 999 NH1 ARG A 33 -19.770 7.725 -1.112 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -21.806 7.508 -0.067 1.00 0.00 N ATOM 0 H ARG A 33 -17.773 -0.140 1.215 1.00 0.00 H new ATOM 0 HA ARG A 33 -18.672 1.030 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -18.191 3.028 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -17.205 3.579 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -19.442 2.991 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -20.177 3.288 0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.334 5.390 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -19.013 5.188 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 33 -21.094 5.170 0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -18.879 7.323 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -19.977 8.704 -1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -22.481 6.939 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -22.011 8.487 -0.267 1.00 0.00 H new ATOM 1014 N PHE A 34 -15.575 2.035 -1.010 1.00 0.00 N ATOM 1015 CA PHE A 34 -14.549 2.068 -2.038 1.00 0.00 C ATOM 1016 C PHE A 34 -13.501 0.996 -1.775 1.00 0.00 C ATOM 1017 O PHE A 34 -12.924 0.930 -0.688 1.00 0.00 O ATOM 1018 CB PHE A 34 -13.902 3.450 -2.103 1.00 0.00 C ATOM 1019 CG PHE A 34 -14.490 4.333 -3.167 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -15.862 4.478 -3.281 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -13.673 5.012 -4.054 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -16.408 5.283 -4.259 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -14.213 5.818 -5.035 1.00 0.00 C ATOM 1024 CZ PHE A 34 -15.583 5.954 -5.139 1.00 0.00 C ATOM 0 H PHE A 34 -15.315 2.493 -0.136 1.00 0.00 H new ATOM 0 HA PHE A 34 -15.016 1.864 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -14.009 3.939 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.834 3.335 -2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.513 3.955 -2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.601 4.910 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.480 5.388 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.564 6.342 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.008 6.584 -5.907 1.00 0.00 H new ATOM 1034 N LEU A 35 -13.281 0.144 -2.763 1.00 0.00 N ATOM 1035 CA LEU A 35 -12.309 -0.927 -2.637 1.00 0.00 C ATOM 1036 C LEU A 35 -11.009 -0.551 -3.341 1.00 0.00 C ATOM 1037 O LEU A 35 -11.009 0.247 -4.279 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.864 -2.247 -3.192 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.853 -2.124 -4.354 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -13.609 -3.227 -5.373 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -15.288 -2.180 -3.846 1.00 0.00 C ATOM 0 H LEU A 35 -13.763 0.174 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.101 -1.072 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.025 -2.862 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.354 -2.782 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.698 -1.160 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.319 -3.128 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.593 -3.146 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.739 -4.198 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.975 -2.091 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.457 -3.129 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.459 -1.360 -3.149 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.909 -1.122 -2.879 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.595 -0.798 -3.409 1.00 0.00 C ATOM 1055 C LEU A 36 -7.944 -2.023 -4.037 1.00 0.00 C ATOM 1056 O LEU A 36 -8.390 -3.153 -3.835 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.693 -0.240 -2.300 1.00 0.00 C ATOM 1058 CG LEU A 36 -8.239 0.991 -1.576 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -8.134 0.812 -0.071 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -7.497 2.244 -2.017 1.00 0.00 C ATOM 0 H LEU A 36 -9.901 -1.817 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.722 -0.039 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.518 -1.026 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.725 0.012 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.291 1.105 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.527 1.697 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.710 -0.062 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.089 0.672 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.900 3.109 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.437 2.140 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.622 2.382 -3.091 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.895 -1.779 -4.800 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.143 -2.833 -5.456 1.00 0.00 C ATOM 1074 C TYR A 37 -4.733 -2.905 -4.891 1.00 0.00 C ATOM 1075 O TYR A 37 -4.187 -1.897 -4.451 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.081 -2.571 -6.959 1.00 0.00 C ATOM 1077 CG TYR A 37 -6.806 -3.600 -7.785 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -6.661 -4.956 -7.528 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.636 -3.216 -8.827 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.319 -5.900 -8.288 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.300 -4.153 -9.591 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.138 -5.494 -9.320 1.00 0.00 C ATOM 1083 OH TYR A 37 -8.790 -6.431 -10.085 1.00 0.00 O ATOM 0 H TYR A 37 -6.539 -0.841 -4.983 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.646 -3.783 -5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.505 -1.588 -7.165 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.037 -2.539 -7.270 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.022 -5.277 -6.719 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.765 -2.166 -9.044 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.193 -6.952 -8.076 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.944 -3.837 -10.398 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.682 -6.594 -9.713 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.160 -4.098 -4.896 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.789 -4.289 -4.448 1.00 0.00 C ATOM 1095 C ALA A 38 -2.078 -5.285 -5.349 1.00 0.00 C ATOM 1096 O ALA A 38 -1.446 -4.904 -6.332 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.754 -4.748 -2.996 1.00 0.00 C ATOM 0 H ALA A 38 -4.625 -4.951 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.267 -3.334 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.719 -4.884 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.228 -3.996 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.290 -5.692 -2.900 1.00 0.00 H new ATOM 1103 N MET A 39 -2.193 -6.563 -5.018 1.00 0.00 N ATOM 1104 CA MET A 39 -1.593 -7.615 -5.825 1.00 0.00 C ATOM 1105 C MET A 39 -2.513 -7.972 -6.985 1.00 0.00 C ATOM 1106 O MET A 39 -2.315 -7.522 -8.112 1.00 0.00 O ATOM 1107 CB MET A 39 -1.323 -8.851 -4.963 1.00 0.00 C ATOM 1108 CG MET A 39 0.140 -9.041 -4.605 1.00 0.00 C ATOM 1109 SD MET A 39 0.641 -8.031 -3.199 1.00 0.00 S ATOM 1110 CE MET A 39 1.405 -6.649 -4.041 1.00 0.00 C ATOM 0 H MET A 39 -2.696 -6.896 -4.196 1.00 0.00 H new ATOM 0 HA MET A 39 -0.646 -7.255 -6.226 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.905 -8.776 -4.045 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.676 -9.736 -5.493 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.322 -10.091 -4.377 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.758 -8.790 -5.467 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.119 -6.166 -3.374 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.924 -7.007 -4.930 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.638 -5.931 -4.332 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.534 -8.764 -6.690 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.489 -9.202 -7.701 1.00 0.00 C ATOM 1122 C ASP A 40 -5.871 -9.385 -7.083 1.00 0.00 C ATOM 1123 O ASP A 40 -6.787 -9.915 -7.712 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.022 -10.518 -8.334 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.242 -11.716 -7.429 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.002 -11.604 -6.208 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -4.645 -12.785 -7.936 1.00 0.00 O ATOM 0 H ASP A 40 -3.724 -9.119 -5.753 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.549 -8.437 -8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.555 -10.674 -9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.962 -10.443 -8.578 1.00 0.00 H new ATOM 1132 N SER A 41 -6.015 -8.949 -5.842 1.00 0.00 N ATOM 1133 CA SER A 41 -7.264 -9.107 -5.117 1.00 0.00 C ATOM 1134 C SER A 41 -7.878 -7.747 -4.809 1.00 0.00 C ATOM 1135 O SER A 41 -7.242 -6.717 -5.021 1.00 0.00 O ATOM 1136 CB SER A 41 -7.011 -9.885 -3.826 1.00 0.00 C ATOM 1137 OG SER A 41 -5.671 -10.349 -3.767 1.00 0.00 O ATOM 0 H SER A 41 -5.278 -8.481 -5.314 1.00 0.00 H new ATOM 0 HA SER A 41 -7.967 -9.664 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.217 -9.247 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.696 -10.731 -3.767 1.00 0.00 H new ATOM 0 HG SER A 41 -5.178 -9.841 -3.089 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.112 -7.747 -4.322 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.782 -6.512 -3.944 1.00 0.00 C ATOM 1145 C TYR A 42 -9.655 -6.294 -2.442 1.00 0.00 C ATOM 1146 O TYR A 42 -9.807 -7.233 -1.659 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.254 -6.555 -4.355 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.465 -6.783 -5.838 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.113 -5.809 -6.766 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.023 -7.966 -6.309 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.310 -6.010 -8.117 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.222 -8.170 -7.662 1.00 0.00 C ATOM 1153 CZ TYR A 42 -11.865 -7.190 -8.559 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.068 -7.387 -9.905 1.00 0.00 O ATOM 0 H TYR A 42 -9.669 -8.590 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.307 -5.680 -4.463 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.754 -7.348 -3.799 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.730 -5.617 -4.069 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.679 -4.881 -6.424 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.305 -8.737 -5.608 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.030 -5.244 -8.825 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.656 -9.095 -8.013 1.00 0.00 H new ATOM 0 HH TYR A 42 -12.466 -8.271 -10.050 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.351 -5.064 -2.050 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.124 -4.738 -0.647 1.00 0.00 C ATOM 1166 C TRP A 43 -9.938 -3.515 -0.239 1.00 0.00 C ATOM 1167 O TRP A 43 -10.664 -2.948 -1.043 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.634 -4.463 -0.393 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.710 -5.439 -1.064 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.387 -5.484 -2.389 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -5.984 -6.503 -0.440 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.530 -6.527 -2.632 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.261 -7.164 -1.451 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -5.877 -6.962 0.872 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.447 -8.259 -1.189 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.069 -8.052 1.133 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.363 -8.690 0.104 1.00 0.00 C ATOM 0 H TRP A 43 -9.255 -4.272 -2.686 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.440 -5.593 -0.050 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.397 -3.457 -0.739 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.449 -4.483 0.681 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.753 -4.798 -3.138 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.154 -6.786 -3.544 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.416 -6.474 1.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.900 -8.752 -1.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.980 -8.418 2.145 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.740 -9.540 0.339 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.800 -3.118 1.016 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.454 -1.918 1.539 1.00 0.00 C ATOM 1190 C HIS A 44 -9.592 -1.334 2.658 1.00 0.00 C ATOM 1191 O HIS A 44 -8.480 -1.804 2.881 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.877 -2.223 2.053 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.944 -3.359 3.029 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.432 -3.257 4.322 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.507 -4.628 2.894 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.268 -4.458 4.915 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.709 -5.300 4.079 1.00 0.00 N ATOM 0 H HIS A 44 -9.233 -3.614 1.704 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.555 -1.193 0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.281 -1.328 2.526 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.518 -2.451 1.202 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.841 -2.425 4.748 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.069 -5.049 2.001 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.555 -4.692 5.930 1.00 0.00 H new ATOM 1205 N SER A 45 -10.109 -0.341 3.370 1.00 0.00 N ATOM 1206 CA SER A 45 -9.344 0.353 4.406 1.00 0.00 C ATOM 1207 C SER A 45 -8.877 -0.596 5.514 1.00 0.00 C ATOM 1208 O SER A 45 -7.790 -0.432 6.068 1.00 0.00 O ATOM 1209 CB SER A 45 -10.191 1.479 5.000 1.00 0.00 C ATOM 1210 OG SER A 45 -11.328 1.734 4.190 1.00 0.00 O ATOM 0 H SER A 45 -11.061 0.006 3.250 1.00 0.00 H new ATOM 0 HA SER A 45 -8.450 0.767 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.509 1.209 6.007 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.591 2.385 5.088 1.00 0.00 H new ATOM 0 HG SER A 45 -11.858 2.456 4.588 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.698 -1.586 5.834 1.00 0.00 N ATOM 1217 CA ARG A 46 -9.373 -2.527 6.896 1.00 0.00 C ATOM 1218 C ARG A 46 -8.444 -3.638 6.404 1.00 0.00 C ATOM 1219 O ARG A 46 -7.781 -4.299 7.204 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.656 -3.139 7.465 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.723 -3.145 8.984 1.00 0.00 C ATOM 1222 CD ARG A 46 -9.752 -4.152 9.582 1.00 0.00 C ATOM 1223 NE ARG A 46 -10.436 -5.260 10.243 1.00 0.00 N ATOM 1224 CZ ARG A 46 -10.191 -6.547 9.995 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -9.301 -6.896 9.073 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -10.842 -7.484 10.673 1.00 0.00 N ATOM 0 H ARG A 46 -10.592 -1.758 5.375 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.851 -1.975 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.512 -2.587 7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.748 -4.164 7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.495 -2.149 9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.738 -3.383 9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.108 -4.544 8.794 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.106 -3.647 10.300 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.147 -5.035 10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.800 -6.178 8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.118 -7.882 8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.527 -7.218 11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.658 -8.470 10.486 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.399 -3.845 5.093 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.631 -4.944 4.531 1.00 0.00 C ATOM 1242 C CYS A 47 -6.289 -4.479 3.975 1.00 0.00 C ATOM 1243 O CYS A 47 -5.257 -5.101 4.224 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.435 -5.634 3.432 1.00 0.00 C ATOM 1245 SG CYS A 47 -8.990 -7.311 3.867 1.00 0.00 S ATOM 0 H CYS A 47 -8.883 -3.269 4.405 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.429 -5.648 5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.306 -5.024 3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.827 -5.686 2.529 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.311 -3.385 3.228 1.00 0.00 N ATOM 1251 CA LEU A 48 -5.128 -2.907 2.533 1.00 0.00 C ATOM 1252 C LEU A 48 -4.155 -2.232 3.493 1.00 0.00 C ATOM 1253 O LEU A 48 -4.003 -1.007 3.503 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.531 -1.953 1.407 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.708 -2.068 0.118 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.686 -0.958 0.054 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -4.018 -3.420 0.021 1.00 0.00 C ATOM 0 H LEU A 48 -7.141 -2.809 3.088 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.616 -3.766 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.579 -2.127 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.455 -0.930 1.776 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.391 -1.977 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.107 -1.049 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.194 0.006 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.018 -1.029 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.443 -3.470 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.349 -3.549 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.767 -4.212 0.025 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.502 -3.050 4.300 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.519 -2.577 5.252 1.00 0.00 C ATOM 1271 C LYS A 49 -1.302 -3.487 5.222 1.00 0.00 C ATOM 1272 O LYS A 49 -1.382 -4.630 4.768 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.110 -2.543 6.665 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.112 -1.422 6.886 1.00 0.00 C ATOM 1275 CD LYS A 49 -4.535 -1.336 8.341 1.00 0.00 C ATOM 1276 CE LYS A 49 -6.034 -1.498 8.493 1.00 0.00 C ATOM 1277 NZ LYS A 49 -6.548 -0.745 9.664 1.00 0.00 N ATOM 0 H LYS A 49 -3.640 -4.061 4.312 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.223 -1.565 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.596 -3.497 6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.299 -2.439 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.673 -0.473 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.989 -1.587 6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.024 -2.108 8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.228 -0.375 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.532 -1.149 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.277 -2.555 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.577 -0.878 9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.090 -1.095 10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.337 0.267 9.546 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.177 -2.967 5.685 1.00 0.00 N ATOM 1292 CA CYS A 50 1.040 -3.749 5.801 1.00 0.00 C ATOM 1293 C CYS A 50 0.798 -4.952 6.716 1.00 0.00 C ATOM 1294 O CYS A 50 0.190 -4.824 7.775 1.00 0.00 O ATOM 1295 CB CYS A 50 2.154 -2.853 6.351 1.00 0.00 C ATOM 1296 SG CYS A 50 3.730 -3.687 6.730 1.00 0.00 S ATOM 0 H CYS A 50 -0.083 -1.998 5.989 1.00 0.00 H new ATOM 0 HA CYS A 50 1.340 -4.126 4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.349 -2.062 5.627 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.792 -2.372 7.259 1.00 0.00 H new ATOM 1301 N SER A 51 1.261 -6.118 6.303 1.00 0.00 N ATOM 1302 CA SER A 51 1.065 -7.330 7.084 1.00 0.00 C ATOM 1303 C SER A 51 2.071 -7.395 8.227 1.00 0.00 C ATOM 1304 O SER A 51 2.048 -8.316 9.044 1.00 0.00 O ATOM 1305 CB SER A 51 1.197 -8.564 6.186 1.00 0.00 C ATOM 1306 OG SER A 51 0.737 -8.289 4.869 1.00 0.00 O ATOM 0 H SER A 51 1.775 -6.253 5.432 1.00 0.00 H new ATOM 0 HA SER A 51 0.061 -7.313 7.509 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.239 -8.883 6.152 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.625 -9.389 6.610 1.00 0.00 H new ATOM 0 HG SER A 51 0.530 -9.131 4.412 1.00 0.00 H new ATOM 1312 N SER A 52 2.953 -6.411 8.282 1.00 0.00 N ATOM 1313 CA SER A 52 3.986 -6.383 9.298 1.00 0.00 C ATOM 1314 C SER A 52 3.665 -5.369 10.401 1.00 0.00 C ATOM 1315 O SER A 52 3.694 -5.713 11.586 1.00 0.00 O ATOM 1316 CB SER A 52 5.335 -6.082 8.650 1.00 0.00 C ATOM 1317 OG SER A 52 5.241 -6.129 7.234 1.00 0.00 O ATOM 0 H SER A 52 2.973 -5.623 7.635 1.00 0.00 H new ATOM 0 HA SER A 52 4.031 -7.364 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.681 -5.097 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.076 -6.804 8.993 1.00 0.00 H new ATOM 0 HG SER A 52 5.120 -5.222 6.884 1.00 0.00 H new ATOM 1323 N CYS A 53 3.342 -4.130 10.029 1.00 0.00 N ATOM 1324 CA CYS A 53 3.035 -3.109 11.030 1.00 0.00 C ATOM 1325 C CYS A 53 1.580 -2.649 10.936 1.00 0.00 C ATOM 1326 O CYS A 53 1.114 -1.857 11.761 1.00 0.00 O ATOM 1327 CB CYS A 53 3.984 -1.912 10.906 1.00 0.00 C ATOM 1328 SG CYS A 53 3.837 -0.974 9.351 1.00 0.00 S ATOM 0 H CYS A 53 3.287 -3.813 9.061 1.00 0.00 H new ATOM 0 HA CYS A 53 3.180 -3.564 12.010 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.802 -1.235 11.740 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.010 -2.268 11.003 1.00 0.00 H new ATOM 1333 N GLN A 54 0.879 -3.157 9.928 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.532 -2.843 9.703 1.00 0.00 C ATOM 1335 C GLN A 54 -0.744 -1.350 9.467 1.00 0.00 C ATOM 1336 O GLN A 54 -1.708 -0.760 9.958 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.393 -3.332 10.869 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.201 -4.580 10.542 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.695 -4.324 10.546 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.243 -3.786 11.507 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -4.367 -4.709 9.470 1.00 0.00 N ATOM 0 H GLN A 54 1.272 -3.800 9.241 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.843 -3.369 8.801 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.750 -3.538 11.724 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.074 -2.535 11.167 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.903 -4.955 9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.968 -5.360 11.267 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.876 -5.152 8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.375 -4.562 9.419 1.00 0.00 H new ATOM 1350 N ALA A 55 0.160 -0.743 8.714 1.00 0.00 N ATOM 1351 CA ALA A 55 0.010 0.650 8.325 1.00 0.00 C ATOM 1352 C ALA A 55 -0.875 0.750 7.091 1.00 0.00 C ATOM 1353 O ALA A 55 -0.777 -0.082 6.188 1.00 0.00 O ATOM 1354 CB ALA A 55 1.369 1.278 8.060 1.00 0.00 C ATOM 0 H ALA A 55 1.004 -1.193 8.360 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.463 1.195 9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.238 2.320 7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.976 1.226 8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.869 0.738 7.256 1.00 0.00 H new ATOM 1360 N GLN A 56 -1.747 1.747 7.066 1.00 0.00 N ATOM 1361 CA GLN A 56 -2.658 1.939 5.948 1.00 0.00 C ATOM 1362 C GLN A 56 -1.904 2.379 4.697 1.00 0.00 C ATOM 1363 O GLN A 56 -1.257 3.427 4.683 1.00 0.00 O ATOM 1364 CB GLN A 56 -3.723 2.971 6.308 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.116 2.383 6.411 1.00 0.00 C ATOM 1366 CD GLN A 56 -5.890 2.501 5.118 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -5.345 2.296 4.031 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -7.162 2.838 5.226 1.00 0.00 N ATOM 0 H GLN A 56 -1.843 2.438 7.810 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.142 0.985 5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.461 3.437 7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.724 3.760 5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.044 1.333 6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.663 2.890 7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.571 2.998 6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.736 2.938 4.389 1.00 0.00 H new ATOM 1377 N LEU A 57 -1.983 1.568 3.655 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.293 1.860 2.409 1.00 0.00 C ATOM 1379 C LEU A 57 -2.274 2.321 1.335 1.00 0.00 C ATOM 1380 O LEU A 57 -1.870 2.753 0.256 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.521 0.627 1.934 1.00 0.00 C ATOM 1382 CG LEU A 57 0.265 -0.103 3.027 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.466 -1.562 2.663 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.605 0.571 3.265 1.00 0.00 C ATOM 0 H LEU A 57 -2.519 0.700 3.647 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.587 2.671 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.225 -0.073 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.172 0.930 1.150 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.315 -0.055 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.027 -2.060 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.504 -2.045 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.020 -1.630 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.147 0.037 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.188 0.558 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.443 1.603 3.577 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.565 2.235 1.638 1.00 0.00 N ATOM 1397 CA GLY A 58 -4.574 2.601 0.667 1.00 0.00 C ATOM 1398 C GLY A 58 -5.126 3.997 0.890 1.00 0.00 C ATOM 1399 O GLY A 58 -5.476 4.694 -0.062 1.00 0.00 O ATOM 0 H GLY A 58 -3.928 1.919 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.147 2.540 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.391 1.881 0.710 1.00 0.00 H new ATOM 1403 N ASP A 59 -5.215 4.409 2.146 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.754 5.728 2.473 1.00 0.00 C ATOM 1405 C ASP A 59 -4.643 6.721 2.733 1.00 0.00 C ATOM 1406 O ASP A 59 -4.883 7.892 3.030 1.00 0.00 O ATOM 1407 CB ASP A 59 -6.678 5.648 3.682 1.00 0.00 C ATOM 1408 CG ASP A 59 -8.090 6.085 3.364 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -8.752 5.422 2.541 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -8.555 7.079 3.960 1.00 0.00 O ATOM 0 H ASP A 59 -4.924 3.856 2.953 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.329 6.073 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.694 4.624 4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.279 6.273 4.481 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.429 6.234 2.614 1.00 0.00 N ATOM 1416 CA ILE A 60 -2.244 7.060 2.759 1.00 0.00 C ATOM 1417 C ILE A 60 -1.231 6.647 1.709 1.00 0.00 C ATOM 1418 O ILE A 60 -1.107 5.462 1.399 1.00 0.00 O ATOM 1419 CB ILE A 60 -1.586 6.950 4.160 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -2.624 6.641 5.243 1.00 0.00 C ATOM 1421 CG2 ILE A 60 -0.847 8.241 4.492 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -2.011 6.289 6.581 1.00 0.00 C ATOM 0 H ILE A 60 -3.231 5.254 2.414 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.557 8.096 2.633 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.875 6.124 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.277 7.505 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.250 5.813 4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.388 8.155 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.073 8.419 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.551 9.074 4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.803 6.082 7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.380 5.407 6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.407 7.124 6.936 1.00 0.00 H new ATOM 1434 N GLY A 61 -0.537 7.621 1.147 1.00 0.00 N ATOM 1435 CA GLY A 61 0.484 7.338 0.153 1.00 0.00 C ATOM 1436 C GLY A 61 1.722 6.702 0.755 1.00 0.00 C ATOM 1437 O GLY A 61 2.800 7.297 0.760 1.00 0.00 O ATOM 0 H GLY A 61 -0.661 8.611 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.072 6.674 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.763 8.264 -0.350 1.00 0.00 H new ATOM 1441 N THR A 62 1.563 5.497 1.272 1.00 0.00 N ATOM 1442 CA THR A 62 2.661 4.758 1.857 1.00 0.00 C ATOM 1443 C THR A 62 3.214 3.749 0.858 1.00 0.00 C ATOM 1444 O THR A 62 2.460 3.001 0.231 1.00 0.00 O ATOM 1445 CB THR A 62 2.214 4.029 3.138 1.00 0.00 C ATOM 1446 OG1 THR A 62 1.182 4.785 3.792 1.00 0.00 O ATOM 1447 CG2 THR A 62 3.382 3.832 4.094 1.00 0.00 C ATOM 0 H THR A 62 0.669 5.006 1.297 1.00 0.00 H new ATOM 0 HA THR A 62 3.444 5.471 2.117 1.00 0.00 H new ATOM 0 HB THR A 62 1.832 3.048 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.445 4.188 4.038 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.036 3.315 4.989 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.155 3.237 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.793 4.803 4.372 1.00 0.00 H new ATOM 1455 N SER A 63 4.530 3.744 0.711 1.00 0.00 N ATOM 1456 CA SER A 63 5.205 2.864 -0.227 1.00 0.00 C ATOM 1457 C SER A 63 5.043 1.406 0.191 1.00 0.00 C ATOM 1458 O SER A 63 5.582 0.983 1.212 1.00 0.00 O ATOM 1459 CB SER A 63 6.686 3.240 -0.292 1.00 0.00 C ATOM 1460 OG SER A 63 6.941 4.399 0.492 1.00 0.00 O ATOM 0 H SER A 63 5.159 4.350 1.239 1.00 0.00 H new ATOM 0 HA SER A 63 4.758 2.981 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.294 2.410 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.976 3.423 -1.327 1.00 0.00 H new ATOM 0 HG SER A 63 7.893 4.625 0.441 1.00 0.00 H new ATOM 1466 N SER A 64 4.286 0.651 -0.595 1.00 0.00 N ATOM 1467 CA SER A 64 4.017 -0.747 -0.293 1.00 0.00 C ATOM 1468 C SER A 64 4.662 -1.662 -1.332 1.00 0.00 C ATOM 1469 O SER A 64 4.560 -1.421 -2.541 1.00 0.00 O ATOM 1470 CB SER A 64 2.507 -0.972 -0.253 1.00 0.00 C ATOM 1471 OG SER A 64 1.818 0.237 -0.527 1.00 0.00 O ATOM 0 H SER A 64 3.846 0.987 -1.451 1.00 0.00 H new ATOM 0 HA SER A 64 4.447 -0.989 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.227 -1.731 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.215 -1.350 0.727 1.00 0.00 H new ATOM 0 HG SER A 64 0.903 0.034 -0.813 1.00 0.00 H new ATOM 1477 N TYR A 65 5.323 -2.705 -0.853 1.00 0.00 N ATOM 1478 CA TYR A 65 6.013 -3.648 -1.721 1.00 0.00 C ATOM 1479 C TYR A 65 5.604 -5.079 -1.383 1.00 0.00 C ATOM 1480 O TYR A 65 4.903 -5.314 -0.396 1.00 0.00 O ATOM 1481 CB TYR A 65 7.531 -3.494 -1.580 1.00 0.00 C ATOM 1482 CG TYR A 65 8.047 -2.133 -1.985 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.304 -1.836 -3.316 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.271 -1.140 -1.039 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.769 -0.590 -3.694 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.737 0.108 -1.410 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.982 0.377 -2.738 1.00 0.00 C ATOM 1488 OH TYR A 65 9.442 1.621 -3.114 1.00 0.00 O ATOM 0 H TYR A 65 5.396 -2.921 0.141 1.00 0.00 H new ATOM 0 HA TYR A 65 5.731 -3.434 -2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.811 -3.685 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.022 -4.254 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.138 -2.591 -4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.078 -1.346 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.964 -0.376 -4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.908 0.868 -0.662 1.00 0.00 H new ATOM 0 HH TYR A 65 9.539 2.188 -2.320 1.00 0.00 H new ATOM 1498 N THR A 66 6.033 -6.027 -2.203 1.00 0.00 N ATOM 1499 CA THR A 66 5.708 -7.423 -1.982 1.00 0.00 C ATOM 1500 C THR A 66 6.878 -8.330 -2.358 1.00 0.00 C ATOM 1501 O THR A 66 7.935 -7.860 -2.792 1.00 0.00 O ATOM 1502 CB THR A 66 4.450 -7.838 -2.780 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.914 -9.060 -2.257 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.762 -8.006 -4.263 1.00 0.00 C ATOM 0 H THR A 66 6.607 -5.852 -3.027 1.00 0.00 H new ATOM 0 HA THR A 66 5.502 -7.540 -0.918 1.00 0.00 H new ATOM 0 HB THR A 66 3.712 -7.043 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.948 -9.040 -1.278 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.856 -8.298 -4.795 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.131 -7.063 -4.666 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.522 -8.777 -4.390 1.00 0.00 H new ATOM 1512 N LYS A 67 6.674 -9.629 -2.181 1.00 0.00 N ATOM 1513 CA LYS A 67 7.669 -10.636 -2.506 1.00 0.00 C ATOM 1514 C LYS A 67 7.043 -12.021 -2.381 1.00 0.00 C ATOM 1515 O LYS A 67 6.477 -12.547 -3.336 1.00 0.00 O ATOM 1516 CB LYS A 67 8.884 -10.522 -1.580 1.00 0.00 C ATOM 1517 CG LYS A 67 10.171 -11.046 -2.195 1.00 0.00 C ATOM 1518 CD LYS A 67 11.284 -11.113 -1.165 1.00 0.00 C ATOM 1519 CE LYS A 67 12.650 -10.959 -1.808 1.00 0.00 C ATOM 1520 NZ LYS A 67 12.939 -9.548 -2.177 1.00 0.00 N ATOM 0 H LYS A 67 5.807 -10.013 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 67 8.009 -10.478 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.023 -9.477 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.682 -11.070 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.000 -12.038 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.473 -10.400 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.141 -10.329 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.235 -12.065 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.416 -11.318 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.703 -11.584 -2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.359 -9.517 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.055 -9.000 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.605 -9.139 -1.491 1.00 0.00 H new ATOM 1534 N SER A 68 7.110 -12.585 -1.185 1.00 0.00 N ATOM 1535 CA SER A 68 6.550 -13.899 -0.915 1.00 0.00 C ATOM 1536 C SER A 68 5.049 -13.814 -0.630 1.00 0.00 C ATOM 1537 O SER A 68 4.553 -14.402 0.330 1.00 0.00 O ATOM 1538 CB SER A 68 7.285 -14.509 0.275 1.00 0.00 C ATOM 1539 OG SER A 68 8.394 -13.703 0.640 1.00 0.00 O ATOM 0 H SER A 68 7.552 -12.146 -0.377 1.00 0.00 H new ATOM 0 HA SER A 68 6.679 -14.530 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.604 -14.605 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.625 -15.514 0.024 1.00 0.00 H new ATOM 0 HG SER A 68 8.488 -13.698 1.615 1.00 0.00 H new ATOM 1545 N GLY A 69 4.333 -13.062 -1.461 1.00 0.00 N ATOM 1546 CA GLY A 69 2.895 -12.929 -1.304 1.00 0.00 C ATOM 1547 C GLY A 69 2.498 -12.077 -0.111 1.00 0.00 C ATOM 1548 O GLY A 69 1.315 -11.950 0.203 1.00 0.00 O ATOM 0 H GLY A 69 4.726 -12.540 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.476 -12.491 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.455 -13.920 -1.196 1.00 0.00 H new ATOM 1552 N MET A 70 3.486 -11.492 0.553 1.00 0.00 N ATOM 1553 CA MET A 70 3.237 -10.679 1.737 1.00 0.00 C ATOM 1554 C MET A 70 3.146 -9.205 1.370 1.00 0.00 C ATOM 1555 O MET A 70 3.820 -8.744 0.446 1.00 0.00 O ATOM 1556 CB MET A 70 4.347 -10.895 2.768 1.00 0.00 C ATOM 1557 CG MET A 70 3.926 -10.580 4.196 1.00 0.00 C ATOM 1558 SD MET A 70 5.248 -10.871 5.389 1.00 0.00 S ATOM 1559 CE MET A 70 5.542 -12.621 5.146 1.00 0.00 C ATOM 0 H MET A 70 4.469 -11.565 0.292 1.00 0.00 H new ATOM 0 HA MET A 70 2.285 -10.986 2.169 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.681 -11.931 2.717 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.201 -10.272 2.505 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.610 -9.539 4.256 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.063 -11.191 4.460 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.068 -13.025 6.011 1.00 0.00 H new ATOM 0 HE2 MET A 70 4.589 -13.137 5.027 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.148 -12.767 4.252 1.00 0.00 H new ATOM 1569 N ILE A 71 2.309 -8.473 2.087 1.00 0.00 N ATOM 1570 CA ILE A 71 2.170 -7.042 1.881 1.00 0.00 C ATOM 1571 C ILE A 71 3.011 -6.297 2.908 1.00 0.00 C ATOM 1572 O ILE A 71 2.709 -6.325 4.096 1.00 0.00 O ATOM 1573 CB ILE A 71 0.695 -6.597 2.008 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.183 -7.354 1.007 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.561 -5.096 1.804 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.124 -8.342 1.656 1.00 0.00 C ATOM 0 H ILE A 71 1.712 -8.851 2.822 1.00 0.00 H new ATOM 0 HA ILE A 71 2.513 -6.809 0.873 1.00 0.00 H new ATOM 0 HB ILE A 71 0.356 -6.835 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.765 -6.635 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.458 -7.884 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.486 -4.808 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.151 -4.572 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.922 -4.830 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.714 -8.841 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.548 -9.083 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.790 -7.815 2.340 1.00 0.00 H new ATOM 1588 N LEU A 72 4.073 -5.653 2.462 1.00 0.00 N ATOM 1589 CA LEU A 72 4.979 -4.985 3.382 1.00 0.00 C ATOM 1590 C LEU A 72 5.168 -3.529 2.995 1.00 0.00 C ATOM 1591 O LEU A 72 5.083 -3.178 1.818 1.00 0.00 O ATOM 1592 CB LEU A 72 6.333 -5.695 3.393 1.00 0.00 C ATOM 1593 CG LEU A 72 6.270 -7.219 3.479 1.00 0.00 C ATOM 1594 CD1 LEU A 72 6.834 -7.851 2.217 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.026 -7.709 4.700 1.00 0.00 C ATOM 0 H LEU A 72 4.330 -5.577 1.478 1.00 0.00 H new ATOM 0 HA LEU A 72 4.541 -5.025 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.876 -5.421 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.913 -5.323 4.238 1.00 0.00 H new ATOM 0 HG LEU A 72 5.225 -7.516 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.780 -8.937 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.254 -7.522 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.873 -7.548 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.973 -8.797 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.069 -7.399 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.580 -7.283 5.599 1.00 0.00 H new ATOM 1607 N CYS A 73 5.412 -2.685 3.986 1.00 0.00 N ATOM 1608 CA CYS A 73 5.716 -1.294 3.728 1.00 0.00 C ATOM 1609 C CYS A 73 7.194 -1.147 3.368 1.00 0.00 C ATOM 1610 O CYS A 73 7.935 -2.133 3.351 1.00 0.00 O ATOM 1611 CB CYS A 73 5.365 -0.433 4.947 1.00 0.00 C ATOM 1612 SG CYS A 73 6.325 -0.823 6.447 1.00 0.00 S ATOM 0 H CYS A 73 5.404 -2.942 4.973 1.00 0.00 H new ATOM 0 HA CYS A 73 5.114 -0.948 2.887 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.521 0.615 4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.304 -0.553 5.168 1.00 0.00 H new ATOM 1617 N ARG A 74 7.614 0.079 3.096 1.00 0.00 N ATOM 1618 CA ARG A 74 8.990 0.355 2.694 1.00 0.00 C ATOM 1619 C ARG A 74 9.984 -0.126 3.747 1.00 0.00 C ATOM 1620 O ARG A 74 10.900 -0.888 3.446 1.00 0.00 O ATOM 1621 CB ARG A 74 9.177 1.854 2.453 1.00 0.00 C ATOM 1622 CG ARG A 74 9.837 2.180 1.124 1.00 0.00 C ATOM 1623 CD ARG A 74 10.967 3.183 1.286 1.00 0.00 C ATOM 1624 NE ARG A 74 12.129 2.822 0.475 1.00 0.00 N ATOM 1625 CZ ARG A 74 12.529 3.491 -0.606 1.00 0.00 C ATOM 1626 NH1 ARG A 74 11.875 4.571 -1.010 1.00 0.00 N ATOM 1627 NH2 ARG A 74 13.588 3.071 -1.284 1.00 0.00 N ATOM 0 H ARG A 74 7.019 0.906 3.146 1.00 0.00 H new ATOM 0 HA ARG A 74 9.183 -0.189 1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.204 2.344 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.780 2.271 3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 74 10.225 1.265 0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.092 2.580 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.617 4.175 1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 74 11.258 3.238 2.335 1.00 0.00 H new ATOM 0 HE ARG A 74 12.669 2.004 0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.059 4.896 -0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.188 5.077 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 74 14.093 2.239 -0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.898 3.580 -2.112 1.00 0.00 H new ATOM 1641 N ASN A 75 9.782 0.303 4.986 1.00 0.00 N ATOM 1642 CA ASN A 75 10.718 0.004 6.066 1.00 0.00 C ATOM 1643 C ASN A 75 10.675 -1.473 6.442 1.00 0.00 C ATOM 1644 O ASN A 75 11.702 -2.076 6.741 1.00 0.00 O ATOM 1645 CB ASN A 75 10.391 0.851 7.298 1.00 0.00 C ATOM 1646 CG ASN A 75 11.539 1.748 7.716 1.00 0.00 C ATOM 1647 OD1 ASN A 75 11.893 2.697 7.014 1.00 0.00 O ATOM 1648 ND2 ASN A 75 12.123 1.463 8.868 1.00 0.00 N ATOM 0 H ASN A 75 8.977 0.861 5.270 1.00 0.00 H new ATOM 0 HA ASN A 75 11.721 0.243 5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.514 1.464 7.089 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.130 0.193 8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.896 2.038 9.204 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.801 0.668 9.420 1.00 0.00 H new ATOM 1655 N ASP A 76 9.485 -2.050 6.403 1.00 0.00 N ATOM 1656 CA ASP A 76 9.281 -3.415 6.877 1.00 0.00 C ATOM 1657 C ASP A 76 9.781 -4.440 5.873 1.00 0.00 C ATOM 1658 O ASP A 76 10.325 -5.479 6.252 1.00 0.00 O ATOM 1659 CB ASP A 76 7.803 -3.666 7.161 1.00 0.00 C ATOM 1660 CG ASP A 76 7.457 -3.499 8.625 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.359 -3.683 9.484 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.286 -3.202 8.930 1.00 0.00 O ATOM 0 H ASP A 76 8.643 -1.596 6.048 1.00 0.00 H new ATOM 0 HA ASP A 76 9.856 -3.526 7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.201 -2.978 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.541 -4.675 6.842 1.00 0.00 H new ATOM 1667 N TYR A 77 9.596 -4.141 4.593 1.00 0.00 N ATOM 1668 CA TYR A 77 9.994 -5.046 3.522 1.00 0.00 C ATOM 1669 C TYR A 77 11.468 -5.399 3.625 1.00 0.00 C ATOM 1670 O TYR A 77 11.841 -6.575 3.631 1.00 0.00 O ATOM 1671 CB TYR A 77 9.725 -4.406 2.160 1.00 0.00 C ATOM 1672 CG TYR A 77 10.047 -5.304 0.983 1.00 0.00 C ATOM 1673 CD1 TYR A 77 10.005 -6.687 1.101 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.369 -4.763 -0.252 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.269 -7.503 0.020 1.00 0.00 C ATOM 1676 CE2 TYR A 77 10.643 -5.571 -1.336 1.00 0.00 C ATOM 1677 CZ TYR A 77 10.590 -6.940 -1.195 1.00 0.00 C ATOM 1678 OH TYR A 77 10.829 -7.753 -2.281 1.00 0.00 O ATOM 0 H TYR A 77 9.170 -3.272 4.270 1.00 0.00 H new ATOM 0 HA TYR A 77 9.405 -5.958 3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.675 -4.117 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.312 -3.491 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.762 -7.131 2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.406 -3.690 -0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.224 -8.577 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.898 -5.133 -2.290 1.00 0.00 H new ATOM 0 HH TYR A 77 10.820 -7.215 -3.100 1.00 0.00 H new ATOM 1688 N ILE A 78 12.299 -4.377 3.721 1.00 0.00 N ATOM 1689 CA ILE A 78 13.738 -4.580 3.710 1.00 0.00 C ATOM 1690 C ILE A 78 14.208 -5.214 5.013 1.00 0.00 C ATOM 1691 O ILE A 78 15.236 -5.894 5.054 1.00 0.00 O ATOM 1692 CB ILE A 78 14.504 -3.262 3.486 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.728 -2.338 2.546 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.890 -3.545 2.927 1.00 0.00 C ATOM 1695 CD1 ILE A 78 14.040 -0.875 2.756 1.00 0.00 C ATOM 0 H ILE A 78 12.006 -3.404 3.807 1.00 0.00 H new ATOM 0 HA ILE A 78 13.952 -5.251 2.878 1.00 0.00 H new ATOM 0 HB ILE A 78 14.611 -2.759 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.955 -2.607 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.660 -2.499 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.420 -2.605 2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.447 -4.164 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.799 -4.069 1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.457 -0.275 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.787 -0.592 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 78 15.102 -0.701 2.584 1.00 0.00 H new ATOM 1707 N ARG A 79 13.445 -4.988 6.071 1.00 0.00 N ATOM 1708 CA ARG A 79 13.749 -5.557 7.374 1.00 0.00 C ATOM 1709 C ARG A 79 13.484 -7.058 7.381 1.00 0.00 C ATOM 1710 O ARG A 79 14.254 -7.837 7.944 1.00 0.00 O ATOM 1711 CB ARG A 79 12.904 -4.884 8.453 1.00 0.00 C ATOM 1712 CG ARG A 79 13.467 -3.559 8.933 1.00 0.00 C ATOM 1713 CD ARG A 79 12.828 -3.132 10.241 1.00 0.00 C ATOM 1714 NE ARG A 79 13.475 -3.750 11.396 1.00 0.00 N ATOM 1715 CZ ARG A 79 13.609 -3.155 12.577 1.00 0.00 C ATOM 1716 NH1 ARG A 79 13.135 -1.929 12.761 1.00 0.00 N ATOM 1717 NH2 ARG A 79 14.199 -3.798 13.578 1.00 0.00 N ATOM 0 H ARG A 79 12.605 -4.410 6.052 1.00 0.00 H new ATOM 0 HA ARG A 79 14.805 -5.385 7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.898 -4.722 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.813 -5.559 9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.546 -3.645 9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.298 -2.793 8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.882 -2.047 10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.771 -3.399 10.232 1.00 0.00 H new ATOM 0 HE ARG A 79 13.846 -4.694 11.290 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.668 -1.443 11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.238 -1.473 13.668 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.548 -4.746 13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.303 -3.344 14.485 1.00 0.00 H new ATOM 1731 N LEU A 80 12.386 -7.457 6.755 1.00 0.00 N ATOM 1732 CA LEU A 80 12.008 -8.860 6.709 1.00 0.00 C ATOM 1733 C LEU A 80 12.806 -9.612 5.650 1.00 0.00 C ATOM 1734 O LEU A 80 13.534 -10.553 5.964 1.00 0.00 O ATOM 1735 CB LEU A 80 10.509 -9.005 6.435 1.00 0.00 C ATOM 1736 CG LEU A 80 9.685 -9.494 7.625 1.00 0.00 C ATOM 1737 CD1 LEU A 80 8.366 -8.744 7.699 1.00 0.00 C ATOM 1738 CD2 LEU A 80 9.448 -10.996 7.525 1.00 0.00 C ATOM 0 H LEU A 80 11.743 -6.829 6.273 1.00 0.00 H new ATOM 0 HA LEU A 80 12.234 -9.296 7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.118 -8.040 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.371 -9.699 5.606 1.00 0.00 H new ATOM 0 HG LEU A 80 10.242 -9.296 8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.790 -9.104 8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.560 -7.678 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.800 -8.912 6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.860 -11.329 8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.909 -11.219 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.406 -11.516 7.519 1.00 0.00 H new ATOM 1750 N PHE A 81 12.679 -9.186 4.403 1.00 0.00 N ATOM 1751 CA PHE A 81 13.297 -9.898 3.293 1.00 0.00 C ATOM 1752 C PHE A 81 14.399 -9.068 2.652 1.00 0.00 C ATOM 1753 O PHE A 81 15.545 -9.507 2.555 1.00 0.00 O ATOM 1754 CB PHE A 81 12.246 -10.261 2.241 1.00 0.00 C ATOM 1755 CG PHE A 81 11.180 -11.188 2.751 1.00 0.00 C ATOM 1756 CD1 PHE A 81 11.377 -12.557 2.752 1.00 0.00 C ATOM 1757 CD2 PHE A 81 9.980 -10.686 3.229 1.00 0.00 C ATOM 1758 CE1 PHE A 81 10.398 -13.413 3.220 1.00 0.00 C ATOM 1759 CE2 PHE A 81 8.996 -11.536 3.699 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.206 -12.900 3.696 1.00 0.00 C ATOM 0 H PHE A 81 12.155 -8.353 4.134 1.00 0.00 H new ATOM 0 HA PHE A 81 13.740 -10.811 3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.777 -9.347 1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.742 -10.725 1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.307 -12.962 2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.812 -9.619 3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.564 -14.480 3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.064 -11.133 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.440 -13.566 4.065 1.00 0.00 H new ATOM 1770 N GLY A 82 14.050 -7.863 2.236 1.00 0.00 N ATOM 1771 CA GLY A 82 14.978 -7.053 1.486 1.00 0.00 C ATOM 1772 C GLY A 82 14.968 -7.441 0.029 1.00 0.00 C ATOM 1773 O GLY A 82 15.987 -7.245 -0.655 1.00 0.00 O ATOM 1774 OXT GLY A 82 13.935 -7.963 -0.432 1.00 0.00 O ATOM 0 H GLY A 82 13.141 -7.433 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.715 -6.000 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.983 -7.172 1.892 1.00 0.00 H new TER 1778 GLY A 82 HETATM 1779 ZN ZN A 101 -11.188 -7.189 4.347 1.00 0.00 ZN HETATM 1780 ZN ZN A 102 5.002 -2.127 7.806 1.00 0.00 ZN