USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 776 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 65 GLU H : A 65 GLU N : A 12 GLU OE2 :(H bumps) USER MOD Set 1.1: A 89 THR OG1 : rot -72:sc= -1.35! USER MOD Set 1.2: A 99 CYS SG : rot -134:sc= 0.302 USER MOD Set 2.1: A 41 MET CE :methyl -174:sc= -3.49! (180deg=-3.64!) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 MET CE :methyl -149:sc= -4.41! (180deg=-0.824) USER MOD Set 3.2: A 80 MET CE :methyl 180:sc= -12.3! (180deg=-11.9!) USER MOD Set 4.1: A 21 MET CE :methyl 161:sc= -0.0353 (180deg=-0.449) USER MOD Set 4.2: A 83 HIS : no HD1:sc= -1.65 X(o=-1.7,f=-2) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -130:sc= -0.13 USER MOD Single : A 22 SER OG : rot 83:sc= 1.18 USER MOD Single : A 29 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 33 SER OG : rot -103:sc= 1.06 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -5.38! C(o=-5.4!,f=-10!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -45:sc=0.000688 USER MOD Single : A 63 HIS : no HD1:sc= -21.5! C(o=-21!,f=-27!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -67:sc= -8.08! USER MOD Single : A 78 SER OG : rot 97:sc= 1.01 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -151:sc= -0.246 (180deg=-1.15!) USER MOD Single : A 88 HIS : no HD1:sc= -22.8! C(o=-23!,f=-19!) USER MOD Single : A 91 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.26) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 51:sc= -2.89! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 15:sc= -1.07! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 12 -0.029 11.951 -9.617 1.00 0.00 N ATOM 2 CA GLU A 12 0.257 10.637 -9.078 1.00 0.00 C ATOM 3 C GLU A 12 1.034 10.768 -7.775 1.00 0.00 C ATOM 4 O GLU A 12 1.816 11.701 -7.607 1.00 0.00 O ATOM 5 CB GLU A 12 1.051 9.830 -10.102 1.00 0.00 C ATOM 6 CG GLU A 12 1.478 8.503 -9.483 1.00 0.00 C ATOM 7 CD GLU A 12 0.331 7.502 -9.498 1.00 0.00 C ATOM 8 OE1 GLU A 12 -0.764 7.887 -9.034 1.00 0.00 O ATOM 9 OE2 GLU A 12 0.571 6.371 -9.974 1.00 0.00 O ATOM 0 HA GLU A 12 -0.677 10.116 -8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.444 9.651 -10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.928 10.392 -10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.327 8.097 -10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.810 8.666 -8.458 1.00 0.00 H new ATOM 17 N ALA A 13 0.817 9.827 -6.853 1.00 0.00 N ATOM 18 CA ALA A 13 1.495 9.841 -5.572 1.00 0.00 C ATOM 19 C ALA A 13 2.970 10.158 -5.774 1.00 0.00 C ATOM 20 O ALA A 13 3.461 10.146 -6.900 1.00 0.00 O ATOM 21 CB ALA A 13 1.321 8.487 -4.891 1.00 0.00 C ATOM 0 H ALA A 13 0.173 9.046 -6.979 1.00 0.00 H new ATOM 0 HA ALA A 13 1.062 10.612 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.830 8.496 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.260 8.290 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.748 7.706 -5.520 1.00 0.00 H new ATOM 27 N PRO A 14 3.676 10.443 -4.677 1.00 0.00 N ATOM 28 CA PRO A 14 5.087 10.766 -4.676 1.00 0.00 C ATOM 29 C PRO A 14 5.898 9.510 -4.958 1.00 0.00 C ATOM 30 O PRO A 14 7.126 9.539 -4.914 1.00 0.00 O ATOM 31 CB PRO A 14 5.366 11.294 -3.270 1.00 0.00 C ATOM 32 CG PRO A 14 4.346 10.541 -2.417 1.00 0.00 C ATOM 33 CD PRO A 14 3.130 10.466 -3.337 1.00 0.00 C ATOM 0 HA PRO A 14 5.356 11.496 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.389 11.086 -2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.227 12.373 -3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.704 9.550 -2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.122 11.071 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.538 9.573 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.473 11.323 -3.193 1.00 0.00 H new ATOM 41 N LEU A 15 5.209 8.403 -5.248 1.00 0.00 N ATOM 42 CA LEU A 15 5.867 7.144 -5.534 1.00 0.00 C ATOM 43 C LEU A 15 5.618 6.749 -6.982 1.00 0.00 C ATOM 44 O LEU A 15 5.079 7.534 -7.759 1.00 0.00 O ATOM 45 CB LEU A 15 5.345 6.071 -4.583 1.00 0.00 C ATOM 46 CG LEU A 15 4.596 6.733 -3.431 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.591 5.746 -2.843 1.00 0.00 C ATOM 48 CD2 LEU A 15 5.590 7.150 -2.351 1.00 0.00 C ATOM 0 H LEU A 15 4.191 8.363 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 15 6.942 7.249 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.684 5.388 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.174 5.477 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 15 4.068 7.613 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.056 6.219 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.881 5.447 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.118 4.866 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.055 7.623 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.118 6.270 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.308 7.855 -2.770 1.00 0.00 H new ATOM 60 N THR A 16 6.013 5.527 -7.346 1.00 0.00 N ATOM 61 CA THR A 16 5.828 5.038 -8.697 1.00 0.00 C ATOM 62 C THR A 16 5.666 3.525 -8.684 1.00 0.00 C ATOM 63 O THR A 16 4.720 2.994 -9.263 1.00 0.00 O ATOM 64 CB THR A 16 7.025 5.445 -9.552 1.00 0.00 C ATOM 65 OG1 THR A 16 7.650 6.571 -8.979 1.00 0.00 O ATOM 66 CG2 THR A 16 6.551 5.789 -10.961 1.00 0.00 C ATOM 0 H THR A 16 6.463 4.863 -6.716 1.00 0.00 H new ATOM 0 HA THR A 16 4.925 5.475 -9.124 1.00 0.00 H new ATOM 0 HB THR A 16 7.735 4.619 -9.599 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.420 6.832 -9.527 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.406 6.080 -11.572 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.067 4.919 -11.405 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.841 6.615 -10.915 1.00 0.00 H new ATOM 74 N VAL A 17 6.592 2.830 -8.020 1.00 0.00 N ATOM 75 CA VAL A 17 6.548 1.384 -7.933 1.00 0.00 C ATOM 76 C VAL A 17 7.854 0.864 -7.350 1.00 0.00 C ATOM 77 O VAL A 17 7.866 -0.152 -6.658 1.00 0.00 O ATOM 78 CB VAL A 17 6.305 0.799 -9.321 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.406 -0.205 -9.651 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.951 0.096 -9.346 1.00 0.00 C ATOM 0 H VAL A 17 7.382 3.256 -7.535 1.00 0.00 H new ATOM 0 HA VAL A 17 5.733 1.079 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 17 6.312 1.601 -10.059 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.232 -0.623 -10.643 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.373 0.297 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.400 -1.007 -8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.776 -0.322 -10.337 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.944 -0.706 -8.607 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.164 0.813 -9.111 1.00 0.00 H new ATOM 90 N LYS A 18 8.957 1.563 -7.630 1.00 0.00 N ATOM 91 CA LYS A 18 10.258 1.168 -7.132 1.00 0.00 C ATOM 92 C LYS A 18 10.605 1.976 -5.889 1.00 0.00 C ATOM 93 O LYS A 18 11.686 1.819 -5.325 1.00 0.00 O ATOM 94 CB LYS A 18 11.305 1.378 -8.222 1.00 0.00 C ATOM 95 CG LYS A 18 11.142 0.306 -9.296 1.00 0.00 C ATOM 96 CD LYS A 18 12.406 -0.547 -9.360 1.00 0.00 C ATOM 97 CE LYS A 18 12.023 -2.024 -9.349 1.00 0.00 C ATOM 98 NZ LYS A 18 13.022 -2.833 -10.065 1.00 0.00 N ATOM 0 H LYS A 18 8.965 2.407 -8.202 1.00 0.00 H new ATOM 0 HA LYS A 18 10.241 0.112 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.194 2.369 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.306 1.330 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.279 -0.320 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.955 0.771 -10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.970 -0.313 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.053 -0.322 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.937 -2.373 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.045 -2.153 -9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.739 -3.833 -10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.085 -2.512 -11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.949 -2.726 -9.606 1.00 0.00 H new ATOM 112 N SER A 19 9.683 2.842 -5.464 1.00 0.00 N ATOM 113 CA SER A 19 9.895 3.668 -4.292 1.00 0.00 C ATOM 114 C SER A 19 10.308 2.797 -3.114 1.00 0.00 C ATOM 115 O SER A 19 9.783 1.700 -2.935 1.00 0.00 O ATOM 116 CB SER A 19 8.616 4.437 -3.974 1.00 0.00 C ATOM 117 OG SER A 19 8.674 5.713 -4.569 1.00 0.00 O ATOM 0 H SER A 19 8.782 2.984 -5.921 1.00 0.00 H new ATOM 0 HA SER A 19 10.694 4.383 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.749 3.890 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.495 4.532 -2.895 1.00 0.00 H new ATOM 0 HG SER A 19 8.451 6.395 -3.902 1.00 0.00 H new ATOM 123 N ASP A 20 11.252 3.289 -2.308 1.00 0.00 N ATOM 124 CA ASP A 20 11.730 2.555 -1.153 1.00 0.00 C ATOM 125 C ASP A 20 10.565 1.851 -0.473 1.00 0.00 C ATOM 126 O ASP A 20 9.673 2.503 0.066 1.00 0.00 O ATOM 127 CB ASP A 20 12.419 3.517 -0.190 1.00 0.00 C ATOM 128 CG ASP A 20 13.933 3.401 -0.295 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.550 4.398 -0.729 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.445 2.317 0.059 1.00 0.00 O ATOM 0 H ASP A 20 11.697 4.197 -2.442 1.00 0.00 H new ATOM 0 HA ASP A 20 12.451 1.800 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.113 4.540 -0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.104 3.303 0.831 1.00 0.00 H new ATOM 136 N MET A 21 10.574 0.516 -0.497 1.00 0.00 N ATOM 137 CA MET A 21 9.518 -0.264 0.116 1.00 0.00 C ATOM 138 C MET A 21 9.129 0.349 1.453 1.00 0.00 C ATOM 139 O MET A 21 7.948 0.546 1.729 1.00 0.00 O ATOM 140 CB MET A 21 9.991 -1.703 0.299 1.00 0.00 C ATOM 141 CG MET A 21 9.608 -2.526 -0.928 1.00 0.00 C ATOM 142 SD MET A 21 10.466 -2.031 -2.442 1.00 0.00 S ATOM 143 CE MET A 21 12.147 -2.539 -2.002 1.00 0.00 C ATOM 0 H MET A 21 11.307 -0.040 -0.938 1.00 0.00 H new ATOM 0 HA MET A 21 8.640 -0.262 -0.530 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.071 -1.726 0.443 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.541 -2.134 1.194 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.820 -3.576 -0.729 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.533 -2.443 -1.088 1.00 0.00 H new ATOM 0 HE1 MET A 21 12.748 -2.630 -2.907 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.592 -1.793 -1.344 1.00 0.00 H new ATOM 0 HE3 MET A 21 12.114 -3.501 -1.490 1.00 0.00 H new ATOM 153 N SER A 22 10.128 0.652 2.285 1.00 0.00 N ATOM 154 CA SER A 22 9.887 1.242 3.586 1.00 0.00 C ATOM 155 C SER A 22 9.134 2.556 3.426 1.00 0.00 C ATOM 156 O SER A 22 8.268 2.880 4.235 1.00 0.00 O ATOM 157 CB SER A 22 11.218 1.464 4.298 1.00 0.00 C ATOM 158 OG SER A 22 10.980 1.778 5.652 1.00 0.00 O ATOM 0 H SER A 22 11.113 0.494 2.071 1.00 0.00 H new ATOM 0 HA SER A 22 9.277 0.568 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.836 0.569 4.224 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.769 2.272 3.818 1.00 0.00 H new ATOM 0 HG SER A 22 10.853 0.951 6.162 1.00 0.00 H new ATOM 164 N ALA A 23 9.468 3.312 2.377 1.00 0.00 N ATOM 165 CA ALA A 23 8.824 4.584 2.117 1.00 0.00 C ATOM 166 C ALA A 23 7.389 4.352 1.668 1.00 0.00 C ATOM 167 O ALA A 23 6.510 5.163 1.951 1.00 0.00 O ATOM 168 CB ALA A 23 9.610 5.340 1.049 1.00 0.00 C ATOM 0 H ALA A 23 10.184 3.057 1.697 1.00 0.00 H new ATOM 0 HA ALA A 23 8.806 5.182 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.128 6.297 0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.628 5.512 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.637 4.751 0.132 1.00 0.00 H new ATOM 174 N ILE A 24 7.152 3.242 0.965 1.00 0.00 N ATOM 175 CA ILE A 24 5.828 2.908 0.482 1.00 0.00 C ATOM 176 C ILE A 24 4.905 2.628 1.660 1.00 0.00 C ATOM 177 O ILE A 24 3.871 3.275 1.808 1.00 0.00 O ATOM 178 CB ILE A 24 5.914 1.694 -0.439 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.495 2.116 -1.785 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.518 1.114 -0.647 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.626 3.213 -2.393 1.00 0.00 C ATOM 0 H ILE A 24 7.871 2.561 0.721 1.00 0.00 H new ATOM 0 HA ILE A 24 5.420 3.747 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 24 6.558 0.940 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.516 2.476 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.542 1.260 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.579 0.247 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.103 0.812 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.874 1.868 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.041 3.515 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.613 2.837 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.602 4.072 -1.722 1.00 0.00 H new ATOM 193 N VAL A 25 5.282 1.661 2.499 1.00 0.00 N ATOM 194 CA VAL A 25 4.490 1.301 3.658 1.00 0.00 C ATOM 195 C VAL A 25 4.282 2.524 4.539 1.00 0.00 C ATOM 196 O VAL A 25 3.183 2.752 5.040 1.00 0.00 O ATOM 197 CB VAL A 25 5.195 0.190 4.431 1.00 0.00 C ATOM 198 CG1 VAL A 25 6.072 0.804 5.517 1.00 0.00 C ATOM 199 CG2 VAL A 25 4.153 -0.722 5.073 1.00 0.00 C ATOM 0 H VAL A 25 6.137 1.116 2.389 1.00 0.00 H new ATOM 0 HA VAL A 25 3.513 0.938 3.338 1.00 0.00 H new ATOM 0 HB VAL A 25 5.816 -0.391 3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.576 0.011 6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.816 1.456 5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.452 1.385 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.655 -1.516 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.533 -0.141 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.526 -1.161 4.297 1.00 0.00 H new ATOM 209 N ARG A 26 5.342 3.313 4.729 1.00 0.00 N ATOM 210 CA ARG A 26 5.272 4.506 5.548 1.00 0.00 C ATOM 211 C ARG A 26 4.142 5.401 5.059 1.00 0.00 C ATOM 212 O ARG A 26 3.348 5.894 5.857 1.00 0.00 O ATOM 213 CB ARG A 26 6.608 5.241 5.489 1.00 0.00 C ATOM 214 CG ARG A 26 7.286 5.174 6.855 1.00 0.00 C ATOM 215 CD ARG A 26 8.796 5.065 6.668 1.00 0.00 C ATOM 216 NE ARG A 26 9.487 5.070 7.957 1.00 0.00 N ATOM 217 CZ ARG A 26 9.413 4.051 8.824 1.00 0.00 C ATOM 218 NH1 ARG A 26 8.685 2.967 8.524 1.00 0.00 N ATOM 219 NH2 ARG A 26 10.068 4.115 9.992 1.00 0.00 N ATOM 0 H ARG A 26 6.260 3.138 4.320 1.00 0.00 H new ATOM 0 HA ARG A 26 5.069 4.231 6.583 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.249 4.792 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.451 6.280 5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.044 6.063 7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.915 4.316 7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.034 4.149 6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.151 5.896 6.058 1.00 0.00 H new ATOM 0 HE ARG A 26 10.049 5.884 8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.187 2.917 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.629 2.192 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.623 4.940 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.011 3.339 10.652 1.00 0.00 H new ATOM 233 N VAL A 27 4.070 5.609 3.742 1.00 0.00 N ATOM 234 CA VAL A 27 3.040 6.441 3.154 1.00 0.00 C ATOM 235 C VAL A 27 1.667 5.890 3.511 1.00 0.00 C ATOM 236 O VAL A 27 0.861 6.580 4.130 1.00 0.00 O ATOM 237 CB VAL A 27 3.228 6.489 1.641 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.926 6.933 0.980 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.336 7.480 1.297 1.00 0.00 C ATOM 0 H VAL A 27 4.720 5.206 3.067 1.00 0.00 H new ATOM 0 HA VAL A 27 3.116 7.455 3.548 1.00 0.00 H new ATOM 0 HB VAL A 27 3.501 5.498 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.060 6.967 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.134 6.226 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.653 7.924 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.471 7.514 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.064 8.471 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.266 7.164 1.768 1.00 0.00 H new ATOM 249 N MET A 28 1.402 4.641 3.118 1.00 0.00 N ATOM 250 CA MET A 28 0.129 4.008 3.398 1.00 0.00 C ATOM 251 C MET A 28 -0.277 4.276 4.840 1.00 0.00 C ATOM 252 O MET A 28 -1.455 4.472 5.130 1.00 0.00 O ATOM 253 CB MET A 28 0.240 2.509 3.138 1.00 0.00 C ATOM 254 CG MET A 28 0.900 2.275 1.782 1.00 0.00 C ATOM 255 SD MET A 28 0.257 0.837 0.890 1.00 0.00 S ATOM 256 CE MET A 28 0.830 -0.473 1.999 1.00 0.00 C ATOM 0 H MET A 28 2.060 4.055 2.604 1.00 0.00 H new ATOM 0 HA MET A 28 -0.638 4.422 2.744 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.825 2.035 3.926 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.749 2.052 3.157 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.764 3.163 1.165 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.973 2.149 1.928 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.035 -1.375 1.422 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.741 -0.150 2.504 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.060 -0.685 2.741 1.00 0.00 H new ATOM 266 N GLN A 29 0.704 4.284 5.745 1.00 0.00 N ATOM 267 CA GLN A 29 0.445 4.527 7.150 1.00 0.00 C ATOM 268 C GLN A 29 -0.010 5.966 7.351 1.00 0.00 C ATOM 269 O GLN A 29 -0.974 6.220 8.070 1.00 0.00 O ATOM 270 CB GLN A 29 1.709 4.242 7.956 1.00 0.00 C ATOM 271 CG GLN A 29 1.614 2.853 8.579 1.00 0.00 C ATOM 272 CD GLN A 29 2.940 2.447 9.207 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.414 1.333 8.996 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.537 3.356 9.982 1.00 0.00 N ATOM 0 H GLN A 29 1.686 4.123 5.520 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.349 3.865 7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.586 4.304 7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.833 4.994 8.735 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.830 2.843 9.336 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.331 2.127 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.103 4.268 10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.427 3.139 10.430 1.00 0.00 H new ATOM 283 N LEU A 30 0.687 6.908 6.712 1.00 0.00 N ATOM 284 CA LEU A 30 0.352 8.314 6.822 1.00 0.00 C ATOM 285 C LEU A 30 -1.158 8.492 6.760 1.00 0.00 C ATOM 286 O LEU A 30 -1.824 7.882 5.927 1.00 0.00 O ATOM 287 CB LEU A 30 1.034 9.088 5.697 1.00 0.00 C ATOM 288 CG LEU A 30 2.548 8.989 5.857 1.00 0.00 C ATOM 289 CD1 LEU A 30 3.228 9.489 4.586 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.992 9.843 7.041 1.00 0.00 C ATOM 0 H LEU A 30 1.489 6.713 6.112 1.00 0.00 H new ATOM 0 HA LEU A 30 0.704 8.701 7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.733 8.686 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.723 10.132 5.719 1.00 0.00 H new ATOM 0 HG LEU A 30 2.827 7.950 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.310 9.418 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.912 8.879 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.949 10.528 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.074 9.772 7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.713 10.882 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.507 9.486 7.949 1.00 0.00 H new ATOM 302 N PRO A 31 -1.698 9.332 7.647 1.00 0.00 N ATOM 303 CA PRO A 31 -3.112 9.626 7.735 1.00 0.00 C ATOM 304 C PRO A 31 -3.528 10.492 6.555 1.00 0.00 C ATOM 305 O PRO A 31 -4.690 10.876 6.443 1.00 0.00 O ATOM 306 CB PRO A 31 -3.273 10.382 9.052 1.00 0.00 C ATOM 307 CG PRO A 31 -1.927 11.091 9.202 1.00 0.00 C ATOM 308 CD PRO A 31 -0.945 10.066 8.640 1.00 0.00 C ATOM 0 HA PRO A 31 -3.734 8.731 7.708 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.101 11.090 9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.469 9.707 9.885 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.898 12.028 8.645 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.710 11.332 10.243 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.077 10.553 8.196 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.574 9.404 9.423 1.00 0.00 H new ATOM 316 N ASP A 32 -2.575 10.800 5.673 1.00 0.00 N ATOM 317 CA ASP A 32 -2.846 11.620 4.509 1.00 0.00 C ATOM 318 C ASP A 32 -2.434 10.875 3.247 1.00 0.00 C ATOM 319 O ASP A 32 -2.061 11.494 2.253 1.00 0.00 O ATOM 320 CB ASP A 32 -2.089 12.940 4.630 1.00 0.00 C ATOM 321 CG ASP A 32 -2.958 14.007 5.280 1.00 0.00 C ATOM 322 OD1 ASP A 32 -3.559 14.792 4.515 1.00 0.00 O ATOM 323 OD2 ASP A 32 -3.004 14.019 6.529 1.00 0.00 O ATOM 0 H ASP A 32 -1.607 10.488 5.751 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.913 11.833 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.185 12.792 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.773 13.275 3.642 1.00 0.00 H new ATOM 329 N SER A 33 -2.503 9.543 3.289 1.00 0.00 N ATOM 330 CA SER A 33 -2.138 8.724 2.151 1.00 0.00 C ATOM 331 C SER A 33 -3.393 8.259 1.425 1.00 0.00 C ATOM 332 O SER A 33 -3.417 8.198 0.198 1.00 0.00 O ATOM 333 CB SER A 33 -1.315 7.530 2.627 1.00 0.00 C ATOM 334 OG SER A 33 -1.979 6.900 3.699 1.00 0.00 O ATOM 0 H SER A 33 -2.810 9.015 4.106 1.00 0.00 H new ATOM 0 HA SER A 33 -1.536 9.309 1.456 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.171 6.824 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.325 7.859 2.942 1.00 0.00 H new ATOM 0 HG SER A 33 -1.544 7.145 4.542 1.00 0.00 H new ATOM 340 N GLY A 34 -4.439 7.932 2.187 1.00 0.00 N ATOM 341 CA GLY A 34 -5.688 7.477 1.610 1.00 0.00 C ATOM 342 C GLY A 34 -6.043 6.096 2.142 1.00 0.00 C ATOM 343 O GLY A 34 -7.218 5.765 2.283 1.00 0.00 O ATOM 0 H GLY A 34 -4.437 7.977 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.485 8.182 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.605 7.445 0.524 1.00 0.00 H new ATOM 347 N LEU A 35 -5.021 5.288 2.438 1.00 0.00 N ATOM 348 CA LEU A 35 -5.228 3.949 2.952 1.00 0.00 C ATOM 349 C LEU A 35 -5.578 4.012 4.432 1.00 0.00 C ATOM 350 O LEU A 35 -6.611 3.493 4.850 1.00 0.00 O ATOM 351 CB LEU A 35 -3.967 3.119 2.729 1.00 0.00 C ATOM 352 CG LEU A 35 -4.222 1.680 3.169 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.669 1.303 2.865 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.282 0.744 2.415 1.00 0.00 C ATOM 0 H LEU A 35 -4.041 5.548 2.327 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.056 3.477 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.683 3.144 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.136 3.542 3.294 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.042 1.590 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.851 0.275 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.340 1.972 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.851 1.393 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.463 -0.284 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.462 0.834 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.249 1.013 2.633 1.00 0.00 H new ATOM 366 N GLU A 36 -4.714 4.650 5.225 1.00 0.00 N ATOM 367 CA GLU A 36 -4.939 4.777 6.651 1.00 0.00 C ATOM 368 C GLU A 36 -4.879 3.406 7.310 1.00 0.00 C ATOM 369 O GLU A 36 -5.826 2.627 7.217 1.00 0.00 O ATOM 370 CB GLU A 36 -6.294 5.435 6.894 1.00 0.00 C ATOM 371 CG GLU A 36 -6.085 6.858 7.404 1.00 0.00 C ATOM 372 CD GLU A 36 -6.663 7.874 6.430 1.00 0.00 C ATOM 373 OE1 GLU A 36 -6.556 7.617 5.211 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.202 8.889 6.923 1.00 0.00 O ATOM 0 H GLU A 36 -3.853 5.085 4.894 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.161 5.402 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.874 5.450 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.866 4.857 7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.559 6.972 8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.020 7.046 7.543 1.00 0.00 H new ATOM 382 N ILE A 37 -3.761 3.113 7.979 1.00 0.00 N ATOM 383 CA ILE A 37 -3.582 1.842 8.652 1.00 0.00 C ATOM 384 C ILE A 37 -3.793 2.018 10.149 1.00 0.00 C ATOM 385 O ILE A 37 -2.870 2.393 10.868 1.00 0.00 O ATOM 386 CB ILE A 37 -2.182 1.307 8.362 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.803 1.628 6.919 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.164 -0.205 8.568 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.531 0.673 5.977 1.00 0.00 C ATOM 0 H ILE A 37 -2.967 3.748 8.064 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.315 1.124 8.284 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.466 1.775 9.038 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.066 2.659 6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.725 1.536 6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.165 -0.589 8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.435 -0.435 9.598 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.879 -0.673 7.892 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.261 0.902 4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.246 -0.353 6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.608 0.787 6.104 1.00 0.00 H new ATOM 401 N ARG A 38 -5.014 1.746 10.617 1.00 0.00 N ATOM 402 CA ARG A 38 -5.340 1.876 12.023 1.00 0.00 C ATOM 403 C ARG A 38 -6.762 1.393 12.269 1.00 0.00 C ATOM 404 O ARG A 38 -7.041 0.775 13.294 1.00 0.00 O ATOM 405 CB ARG A 38 -5.183 3.333 12.448 1.00 0.00 C ATOM 406 CG ARG A 38 -3.922 3.484 13.293 1.00 0.00 C ATOM 407 CD ARG A 38 -3.058 4.605 12.723 1.00 0.00 C ATOM 408 NE ARG A 38 -2.101 5.088 13.719 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.034 5.834 13.399 1.00 0.00 C ATOM 410 NH1 ARG A 38 -0.810 6.168 12.120 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.192 6.246 14.356 1.00 0.00 N ATOM 0 H ARG A 38 -5.790 1.434 10.033 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.661 1.263 12.616 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.123 3.975 11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.056 3.653 13.018 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.188 3.706 14.326 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.363 2.548 13.302 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.523 4.245 11.844 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.693 5.428 12.395 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.252 4.847 14.698 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.451 5.855 11.391 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.002 6.736 11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.362 5.992 15.329 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.620 6.814 14.112 1.00 0.00 H new ATOM 425 N ASP A 39 -7.662 1.675 11.324 1.00 0.00 N ATOM 426 CA ASP A 39 -9.048 1.269 11.444 1.00 0.00 C ATOM 427 C ASP A 39 -9.584 0.860 10.080 1.00 0.00 C ATOM 428 O ASP A 39 -9.449 1.602 9.110 1.00 0.00 O ATOM 429 CB ASP A 39 -9.866 2.420 12.023 1.00 0.00 C ATOM 430 CG ASP A 39 -9.014 3.284 12.943 1.00 0.00 C ATOM 431 OD1 ASP A 39 -9.109 3.071 14.170 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.284 4.141 12.400 1.00 0.00 O ATOM 0 H ASP A 39 -7.446 2.185 10.468 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.124 0.413 12.115 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.267 3.030 11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.718 2.024 12.576 1.00 0.00 H new ATOM 438 N ARG A 40 -10.193 -0.326 10.007 1.00 0.00 N ATOM 439 CA ARG A 40 -10.744 -0.828 8.765 1.00 0.00 C ATOM 440 C ARG A 40 -11.940 -1.723 9.055 1.00 0.00 C ATOM 441 O ARG A 40 -12.305 -1.919 10.212 1.00 0.00 O ATOM 442 CB ARG A 40 -9.666 -1.597 8.005 1.00 0.00 C ATOM 443 CG ARG A 40 -8.833 -0.621 7.179 1.00 0.00 C ATOM 444 CD ARG A 40 -9.040 -0.906 5.694 1.00 0.00 C ATOM 445 NE ARG A 40 -9.104 0.337 4.925 1.00 0.00 N ATOM 446 CZ ARG A 40 -9.726 0.427 3.741 1.00 0.00 C ATOM 447 NH1 ARG A 40 -10.325 -0.650 3.215 1.00 0.00 N ATOM 448 NH2 ARG A 40 -9.749 1.594 3.083 1.00 0.00 N ATOM 0 H ARG A 40 -10.313 -0.953 10.803 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.080 0.006 8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.027 -2.136 8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.125 -2.341 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.123 0.405 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.778 -0.719 7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.224 -1.526 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.961 -1.472 5.554 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.656 1.171 5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.308 -1.539 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.798 -0.581 2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.293 2.414 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.222 1.662 2.182 1.00 0.00 H new ATOM 462 N MET A 41 -12.551 -2.269 8.001 1.00 0.00 N ATOM 463 CA MET A 41 -13.701 -3.137 8.151 1.00 0.00 C ATOM 464 C MET A 41 -13.433 -4.474 7.475 1.00 0.00 C ATOM 465 O MET A 41 -12.749 -4.531 6.455 1.00 0.00 O ATOM 466 CB MET A 41 -14.929 -2.463 7.544 1.00 0.00 C ATOM 467 CG MET A 41 -15.427 -1.371 8.487 1.00 0.00 C ATOM 468 SD MET A 41 -17.226 -1.170 8.492 1.00 0.00 S ATOM 469 CE MET A 41 -17.686 -2.705 9.334 1.00 0.00 C ATOM 0 H MET A 41 -12.260 -2.119 7.035 1.00 0.00 H new ATOM 0 HA MET A 41 -13.886 -3.319 9.210 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.680 -2.034 6.573 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.715 -3.199 7.375 1.00 0.00 H new ATOM 0 HG2 MET A 41 -15.094 -1.599 9.499 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.966 -0.424 8.206 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.771 -2.809 9.334 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.241 -3.553 8.814 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.324 -2.679 10.362 1.00 0.00 H new ATOM 479 N TRP A 42 -13.973 -5.553 8.046 1.00 0.00 N ATOM 480 CA TRP A 42 -13.789 -6.880 7.493 1.00 0.00 C ATOM 481 C TRP A 42 -14.792 -7.843 8.112 1.00 0.00 C ATOM 482 O TRP A 42 -14.958 -7.872 9.330 1.00 0.00 O ATOM 483 CB TRP A 42 -12.360 -7.345 7.755 1.00 0.00 C ATOM 484 CG TRP A 42 -12.031 -8.702 7.220 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.586 -9.744 7.955 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.110 -9.189 5.846 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.386 -10.835 7.136 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.694 -10.547 5.822 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.491 -8.621 4.616 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.657 -11.302 4.647 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.457 -9.370 3.431 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.042 -10.706 3.442 1.00 0.00 C ATOM 0 H TRP A 42 -14.541 -5.525 8.893 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.958 -6.855 6.416 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.672 -6.621 7.318 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.184 -7.342 8.831 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.413 -9.726 9.021 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.052 -11.742 7.461 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.815 -7.591 4.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.335 -12.333 4.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.754 -8.911 2.500 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.019 -11.274 2.524 1.00 0.00 H new ATOM 503 N LEU A 43 -15.461 -8.633 7.270 1.00 0.00 N ATOM 504 CA LEU A 43 -16.442 -9.592 7.736 1.00 0.00 C ATOM 505 C LEU A 43 -17.664 -8.861 8.274 1.00 0.00 C ATOM 506 O LEU A 43 -18.416 -9.411 9.076 1.00 0.00 O ATOM 507 CB LEU A 43 -15.819 -10.472 8.816 1.00 0.00 C ATOM 508 CG LEU A 43 -15.372 -11.794 8.199 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.847 -11.849 8.163 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.903 -12.952 9.039 1.00 0.00 C ATOM 0 H LEU A 43 -15.334 -8.621 6.258 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.759 -10.226 6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.968 -9.963 9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.541 -10.655 9.612 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.762 -11.872 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.527 -12.793 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.467 -11.022 7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.456 -11.771 9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.584 -13.897 8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.513 -12.874 10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.992 -12.913 9.065 1.00 0.00 H new ATOM 522 N LYS A 44 -17.862 -7.618 7.830 1.00 0.00 N ATOM 523 CA LYS A 44 -18.989 -6.821 8.269 1.00 0.00 C ATOM 524 C LYS A 44 -18.762 -6.344 9.697 1.00 0.00 C ATOM 525 O LYS A 44 -19.707 -5.965 10.385 1.00 0.00 O ATOM 526 CB LYS A 44 -20.266 -7.652 8.174 1.00 0.00 C ATOM 527 CG LYS A 44 -20.513 -8.039 6.719 1.00 0.00 C ATOM 528 CD LYS A 44 -21.873 -7.509 6.275 1.00 0.00 C ATOM 529 CE LYS A 44 -22.977 -8.234 7.041 1.00 0.00 C ATOM 530 NZ LYS A 44 -23.670 -9.202 6.177 1.00 0.00 N ATOM 0 H LYS A 44 -17.249 -7.148 7.164 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.091 -5.946 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.177 -8.547 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.112 -7.083 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.727 -7.630 6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.480 -9.123 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -21.934 -6.436 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.001 -7.658 5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -22.550 -8.750 7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -23.693 -7.509 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -24.416 -9.681 6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.096 -8.704 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -22.989 -9.906 5.828 1.00 0.00 H new ATOM 544 N ILE A 45 -17.503 -6.363 10.140 1.00 0.00 N ATOM 545 CA ILE A 45 -17.155 -5.933 11.480 1.00 0.00 C ATOM 546 C ILE A 45 -16.181 -4.766 11.409 1.00 0.00 C ATOM 547 O ILE A 45 -15.812 -4.328 10.321 1.00 0.00 O ATOM 548 CB ILE A 45 -16.545 -7.102 12.247 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.094 -8.415 11.696 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.903 -6.982 13.726 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.498 -9.583 12.476 1.00 0.00 C ATOM 0 H ILE A 45 -16.709 -6.675 9.580 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.051 -5.601 12.004 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.461 -7.085 12.132 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.181 -8.428 11.775 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.850 -8.508 10.638 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.467 -7.817 14.275 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.511 -6.045 14.120 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.987 -6.999 13.841 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.890 -10.521 12.083 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.413 -9.572 12.375 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.765 -9.491 13.529 1.00 0.00 H new ATOM 563 N THR A 46 -15.763 -4.261 12.572 1.00 0.00 N ATOM 564 CA THR A 46 -14.835 -3.150 12.631 1.00 0.00 C ATOM 565 C THR A 46 -13.599 -3.548 13.425 1.00 0.00 C ATOM 566 O THR A 46 -13.706 -4.213 14.454 1.00 0.00 O ATOM 567 CB THR A 46 -15.523 -1.947 13.268 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.279 -1.267 12.292 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.469 -1.004 13.843 1.00 0.00 C ATOM 0 H THR A 46 -16.059 -4.611 13.483 1.00 0.00 H new ATOM 0 HA THR A 46 -14.521 -2.881 11.622 1.00 0.00 H new ATOM 0 HB THR A 46 -16.182 -2.286 14.067 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.723 -0.495 12.701 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.960 -0.144 14.298 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.884 -1.529 14.598 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.810 -0.664 13.044 1.00 0.00 H new ATOM 577 N ILE A 47 -12.423 -3.139 12.945 1.00 0.00 N ATOM 578 CA ILE A 47 -11.173 -3.450 13.610 1.00 0.00 C ATOM 579 C ILE A 47 -10.351 -2.181 13.782 1.00 0.00 C ATOM 580 O ILE A 47 -10.481 -1.244 12.996 1.00 0.00 O ATOM 581 CB ILE A 47 -10.407 -4.486 12.791 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.251 -5.748 12.647 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.098 -4.826 13.499 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.905 -5.769 11.269 1.00 0.00 C ATOM 0 H ILE A 47 -12.319 -2.589 12.092 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.374 -3.864 14.598 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.191 -4.080 11.803 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.627 -6.632 12.779 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.015 -5.778 13.424 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.550 -5.566 12.915 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.494 -3.924 13.600 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.314 -5.231 14.488 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.508 -6.671 11.166 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.542 -4.892 11.155 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.133 -5.759 10.500 1.00 0.00 H new ATOM 596 N ALA A 48 -9.503 -2.152 14.812 1.00 0.00 N ATOM 597 CA ALA A 48 -8.667 -0.999 15.082 1.00 0.00 C ATOM 598 C ALA A 48 -7.250 -1.265 14.594 1.00 0.00 C ATOM 599 O ALA A 48 -6.288 -1.056 15.330 1.00 0.00 O ATOM 600 CB ALA A 48 -8.677 -0.704 16.579 1.00 0.00 C ATOM 0 H ALA A 48 -9.383 -2.921 15.471 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.056 -0.130 14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.049 0.163 16.783 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.697 -0.497 16.902 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.292 -1.567 17.122 1.00 0.00 H new ATOM 606 N ASN A 49 -7.122 -1.728 13.348 1.00 0.00 N ATOM 607 CA ASN A 49 -5.825 -2.019 12.772 1.00 0.00 C ATOM 608 C ASN A 49 -5.956 -3.120 11.729 1.00 0.00 C ATOM 609 O ASN A 49 -5.816 -4.299 12.047 1.00 0.00 O ATOM 610 CB ASN A 49 -4.860 -2.434 13.878 1.00 0.00 C ATOM 611 CG ASN A 49 -3.988 -1.262 14.306 1.00 0.00 C ATOM 612 OD1 ASN A 49 -3.851 -0.287 13.571 1.00 0.00 O ATOM 613 ND2 ASN A 49 -3.398 -1.359 15.500 1.00 0.00 N ATOM 0 H ASN A 49 -7.909 -1.907 12.724 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.434 -1.128 12.281 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.421 -2.807 14.735 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.230 -3.252 13.529 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.803 -0.603 15.838 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.543 -2.189 16.074 1.00 0.00 H new ATOM 620 N ALA A 50 -6.224 -2.733 10.480 1.00 0.00 N ATOM 621 CA ALA A 50 -6.373 -3.686 9.399 1.00 0.00 C ATOM 622 C ALA A 50 -5.991 -3.031 8.079 1.00 0.00 C ATOM 623 O ALA A 50 -6.054 -1.811 7.948 1.00 0.00 O ATOM 624 CB ALA A 50 -7.814 -4.186 9.358 1.00 0.00 C ATOM 0 H ALA A 50 -6.341 -1.759 10.200 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.712 -4.537 9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.927 -4.903 8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.059 -4.669 10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.487 -3.344 9.195 1.00 0.00 H new ATOM 630 N VAL A 51 -5.593 -3.847 7.100 1.00 0.00 N ATOM 631 CA VAL A 51 -5.203 -3.345 5.798 1.00 0.00 C ATOM 632 C VAL A 51 -4.662 -4.486 4.948 1.00 0.00 C ATOM 633 O VAL A 51 -5.127 -4.705 3.831 1.00 0.00 O ATOM 634 CB VAL A 51 -4.152 -2.252 5.968 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.830 -0.886 5.943 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.436 -2.440 7.303 1.00 0.00 C ATOM 0 H VAL A 51 -5.535 -4.861 7.194 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.070 -2.920 5.293 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.429 -2.313 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.079 -0.105 6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.343 -0.752 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.553 -0.824 6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.685 -1.660 7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.160 -2.378 8.116 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.952 -3.416 7.322 1.00 0.00 H new ATOM 646 N ILE A 52 -3.676 -5.213 5.479 1.00 0.00 N ATOM 647 CA ILE A 52 -3.078 -6.327 4.771 1.00 0.00 C ATOM 648 C ILE A 52 -2.582 -5.864 3.408 1.00 0.00 C ATOM 649 O ILE A 52 -2.861 -4.741 2.993 1.00 0.00 O ATOM 650 CB ILE A 52 -4.105 -7.446 4.623 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.414 -8.796 4.789 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.746 -7.368 3.240 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.456 -9.910 4.733 1.00 0.00 C ATOM 0 H ILE A 52 -3.279 -5.042 6.403 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.227 -6.707 5.335 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.875 -7.336 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.673 -8.937 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.881 -8.829 5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.480 -8.167 3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.240 -6.404 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.977 -7.478 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.964 -10.875 4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.180 -9.771 5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.969 -9.880 3.772 1.00 0.00 H new ATOM 665 N GLY A 53 -1.846 -6.732 2.710 1.00 0.00 N ATOM 666 CA GLY A 53 -1.320 -6.404 1.401 1.00 0.00 C ATOM 667 C GLY A 53 -2.454 -6.050 0.449 1.00 0.00 C ATOM 668 O GLY A 53 -2.277 -5.242 -0.459 1.00 0.00 O ATOM 0 H GLY A 53 -1.605 -7.667 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.627 -5.566 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.755 -7.249 1.006 1.00 0.00 H new ATOM 672 N ALA A 54 -3.623 -6.660 0.661 1.00 0.00 N ATOM 673 CA ALA A 54 -4.779 -6.409 -0.177 1.00 0.00 C ATOM 674 C ALA A 54 -5.028 -4.911 -0.276 1.00 0.00 C ATOM 675 O ALA A 54 -5.036 -4.352 -1.370 1.00 0.00 O ATOM 676 CB ALA A 54 -5.994 -7.123 0.408 1.00 0.00 C ATOM 0 H ALA A 54 -3.786 -7.332 1.411 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.597 -6.793 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.864 -6.935 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.801 -8.195 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.186 -6.750 1.414 1.00 0.00 H new ATOM 682 N ASP A 55 -5.233 -4.261 0.872 1.00 0.00 N ATOM 683 CA ASP A 55 -5.482 -2.834 0.908 1.00 0.00 C ATOM 684 C ASP A 55 -4.236 -2.082 0.463 1.00 0.00 C ATOM 685 O ASP A 55 -4.319 -1.168 -0.354 1.00 0.00 O ATOM 686 CB ASP A 55 -5.885 -2.425 2.322 1.00 0.00 C ATOM 687 CG ASP A 55 -6.821 -1.224 2.295 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.610 -1.098 3.256 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.729 -0.456 1.313 1.00 0.00 O ATOM 0 H ASP A 55 -5.230 -4.710 1.788 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.295 -2.585 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.375 -3.261 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.995 -2.184 2.903 1.00 0.00 H new ATOM 695 N VAL A 56 -3.078 -2.469 1.004 1.00 0.00 N ATOM 696 CA VAL A 56 -1.823 -1.831 0.661 1.00 0.00 C ATOM 697 C VAL A 56 -1.665 -1.786 -0.852 1.00 0.00 C ATOM 698 O VAL A 56 -1.051 -0.866 -1.386 1.00 0.00 O ATOM 699 CB VAL A 56 -0.671 -2.598 1.303 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.635 -1.845 1.070 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.922 -2.730 2.803 1.00 0.00 C ATOM 0 H VAL A 56 -2.993 -3.225 1.683 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.815 -0.808 1.038 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.602 -3.590 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.458 -2.393 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.814 -1.750 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.567 -0.853 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.099 -3.278 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.991 -1.738 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.855 -3.269 2.970 1.00 0.00 H new ATOM 711 N VAL A 57 -2.222 -2.784 -1.542 1.00 0.00 N ATOM 712 CA VAL A 57 -2.141 -2.854 -2.987 1.00 0.00 C ATOM 713 C VAL A 57 -3.186 -1.936 -3.606 1.00 0.00 C ATOM 714 O VAL A 57 -2.844 -0.932 -4.225 1.00 0.00 O ATOM 715 CB VAL A 57 -2.351 -4.296 -3.438 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.385 -4.352 -4.963 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.205 -5.162 -2.923 1.00 0.00 C ATOM 0 H VAL A 57 -2.735 -3.554 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.156 -2.525 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.295 -4.668 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.535 -5.382 -5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.203 -3.733 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.441 -3.981 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.355 -6.193 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.261 -4.791 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.180 -5.122 -1.834 1.00 0.00 H new ATOM 727 N ASP A 58 -4.464 -2.284 -3.437 1.00 0.00 N ATOM 728 CA ASP A 58 -5.549 -1.492 -3.979 1.00 0.00 C ATOM 729 C ASP A 58 -5.231 -0.012 -3.830 1.00 0.00 C ATOM 730 O ASP A 58 -5.654 0.801 -4.649 1.00 0.00 O ATOM 731 CB ASP A 58 -6.845 -1.843 -3.253 1.00 0.00 C ATOM 732 CG ASP A 58 -7.583 -2.965 -3.970 1.00 0.00 C ATOM 733 OD1 ASP A 58 -7.590 -2.932 -5.220 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.127 -3.834 -3.256 1.00 0.00 O ATOM 0 H ASP A 58 -4.764 -3.114 -2.926 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.671 -1.712 -5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.623 -2.145 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.484 -0.962 -3.194 1.00 0.00 H new ATOM 740 N TRP A 59 -4.484 0.339 -2.780 1.00 0.00 N ATOM 741 CA TRP A 59 -4.115 1.719 -2.535 1.00 0.00 C ATOM 742 C TRP A 59 -2.984 2.127 -3.468 1.00 0.00 C ATOM 743 O TRP A 59 -3.140 3.042 -4.274 1.00 0.00 O ATOM 744 CB TRP A 59 -3.698 1.881 -1.077 1.00 0.00 C ATOM 745 CG TRP A 59 -3.464 3.293 -0.642 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.422 4.150 -0.227 1.00 0.00 C ATOM 747 CD2 TRP A 59 -2.208 4.033 -0.571 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.848 5.363 0.094 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.482 5.346 -0.100 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.864 3.730 -0.856 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.481 6.305 0.078 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.148 4.685 -0.680 1.00 0.00 C ATOM 753 CH2 TRP A 59 -0.156 5.970 -0.215 1.00 0.00 C ATOM 0 H TRP A 59 -4.127 -0.321 -2.090 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.969 2.367 -2.730 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.469 1.444 -0.443 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.786 1.309 -0.909 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.475 3.921 -0.157 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.369 6.172 0.433 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.607 2.745 -1.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.728 7.293 0.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.172 4.426 -0.905 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.630 6.699 -0.083 1.00 0.00 H new ATOM 764 N LEU A 60 -1.842 1.444 -3.358 1.00 0.00 N ATOM 765 CA LEU A 60 -0.692 1.736 -4.190 1.00 0.00 C ATOM 766 C LEU A 60 -1.151 2.118 -5.590 1.00 0.00 C ATOM 767 O LEU A 60 -0.526 2.949 -6.246 1.00 0.00 O ATOM 768 CB LEU A 60 0.226 0.518 -4.235 1.00 0.00 C ATOM 769 CG LEU A 60 1.095 0.490 -2.981 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.680 -0.908 -2.799 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.228 1.501 -3.125 1.00 0.00 C ATOM 0 H LEU A 60 -1.698 0.683 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.139 2.576 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.366 -0.395 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.854 0.555 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 60 0.488 0.746 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.301 -0.929 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.870 -1.631 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.287 -1.164 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.849 1.481 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.835 1.246 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.810 2.499 -3.255 1.00 0.00 H new ATOM 783 N TYR A 61 -2.247 1.509 -6.048 1.00 0.00 N ATOM 784 CA TYR A 61 -2.781 1.787 -7.366 1.00 0.00 C ATOM 785 C TYR A 61 -3.698 3.000 -7.306 1.00 0.00 C ATOM 786 O TYR A 61 -3.587 3.906 -8.129 1.00 0.00 O ATOM 787 CB TYR A 61 -3.535 0.563 -7.876 1.00 0.00 C ATOM 788 CG TYR A 61 -4.246 0.796 -9.188 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.530 1.356 -9.198 1.00 0.00 C ATOM 790 CD2 TYR A 61 -3.622 0.453 -10.393 1.00 0.00 C ATOM 791 CE1 TYR A 61 -6.189 1.572 -10.414 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.281 0.669 -11.609 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.565 1.229 -11.620 1.00 0.00 C ATOM 794 OH TYR A 61 -6.207 1.439 -12.804 1.00 0.00 O ATOM 0 H TYR A 61 -2.778 0.819 -5.517 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.965 2.008 -8.054 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.833 -0.263 -7.994 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.264 0.257 -7.126 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.011 1.621 -8.268 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.632 0.022 -10.385 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.179 2.003 -10.422 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.800 0.404 -12.539 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.634 1.147 -13.543 1.00 0.00 H new ATOM 804 N THR A 62 -4.606 3.017 -6.328 1.00 0.00 N ATOM 805 CA THR A 62 -5.534 4.119 -6.169 1.00 0.00 C ATOM 806 C THR A 62 -4.792 5.355 -5.681 1.00 0.00 C ATOM 807 O THR A 62 -5.387 6.419 -5.525 1.00 0.00 O ATOM 808 CB THR A 62 -6.630 3.722 -5.184 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.794 4.472 -5.450 1.00 0.00 O ATOM 810 CG2 THR A 62 -6.160 4.001 -3.760 1.00 0.00 C ATOM 0 H THR A 62 -4.712 2.274 -5.637 1.00 0.00 H new ATOM 0 HA THR A 62 -5.993 4.353 -7.129 1.00 0.00 H new ATOM 0 HB THR A 62 -6.849 2.660 -5.292 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.553 5.412 -5.589 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.943 3.718 -3.056 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.260 3.422 -3.554 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.941 5.063 -3.651 1.00 0.00 H new ATOM 818 N HIS A 63 -3.486 5.213 -5.439 1.00 0.00 N ATOM 819 CA HIS A 63 -2.675 6.318 -4.969 1.00 0.00 C ATOM 820 C HIS A 63 -1.732 6.777 -6.072 1.00 0.00 C ATOM 821 O HIS A 63 -1.869 7.884 -6.588 1.00 0.00 O ATOM 822 CB HIS A 63 -1.890 5.882 -3.735 1.00 0.00 C ATOM 823 CG HIS A 63 -1.628 7.016 -2.782 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.413 7.620 -2.554 1.00 0.00 N ATOM 825 CD2 HIS A 63 -2.556 7.632 -1.987 1.00 0.00 C ATOM 826 CE1 HIS A 63 -0.611 8.583 -1.636 1.00 0.00 C ATOM 827 NE2 HIS A 63 -1.901 8.630 -1.260 1.00 0.00 N ATOM 0 H HIS A 63 -2.975 4.339 -5.564 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.319 7.155 -4.699 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.442 5.098 -3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.940 5.449 -4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.607 7.390 -1.931 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.163 9.232 -1.252 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.318 9.266 -0.581 1.00 0.00 H new ATOM 835 N VAL A 64 -0.773 5.921 -6.434 1.00 0.00 N ATOM 836 CA VAL A 64 0.186 6.241 -7.472 1.00 0.00 C ATOM 837 C VAL A 64 0.139 5.180 -8.561 1.00 0.00 C ATOM 838 O VAL A 64 -0.726 4.307 -8.543 1.00 0.00 O ATOM 839 CB VAL A 64 1.583 6.331 -6.863 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.555 7.269 -5.660 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.031 4.942 -6.415 1.00 0.00 C ATOM 0 H VAL A 64 -0.647 4.999 -6.016 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.063 7.203 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 64 2.280 6.717 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.553 7.333 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.234 8.261 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.859 6.884 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.028 5.004 -5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.334 4.557 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.051 4.271 -7.274 1.00 0.00 H new ATOM 851 N GLU A 65 1.073 5.255 -9.512 1.00 0.00 N ATOM 852 CA GLU A 65 1.131 4.300 -10.601 1.00 0.00 C ATOM 853 C GLU A 65 2.551 4.214 -11.141 1.00 0.00 C ATOM 854 O GLU A 65 3.424 4.972 -10.724 1.00 0.00 O ATOM 855 CB GLU A 65 0.159 4.722 -11.698 1.00 0.00 C ATOM 856 CG GLU A 65 0.435 6.170 -12.093 1.00 0.00 C ATOM 857 CD GLU A 65 0.088 6.410 -13.555 1.00 0.00 C ATOM 858 OE1 GLU A 65 0.991 6.199 -14.394 1.00 0.00 O ATOM 859 OE2 GLU A 65 -1.072 6.800 -13.807 1.00 0.00 O ATOM 0 HA GLU A 65 0.844 3.313 -10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.267 4.070 -12.565 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.868 4.619 -11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.148 6.841 -11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.486 6.404 -11.921 1.00 0.00 H new ATOM 867 N GLY A 66 2.782 3.287 -12.074 1.00 0.00 N ATOM 868 CA GLY A 66 4.094 3.112 -12.664 1.00 0.00 C ATOM 869 C GLY A 66 4.363 1.636 -12.923 1.00 0.00 C ATOM 870 O GLY A 66 5.285 1.290 -13.658 1.00 0.00 O ATOM 0 H GLY A 66 2.071 2.649 -12.432 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.158 3.670 -13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.857 3.517 -11.999 1.00 0.00 H new ATOM 874 N PHE A 67 3.553 0.765 -12.317 1.00 0.00 N ATOM 875 CA PHE A 67 3.708 -0.666 -12.485 1.00 0.00 C ATOM 876 C PHE A 67 3.069 -1.104 -13.795 1.00 0.00 C ATOM 877 O PHE A 67 2.399 -0.314 -14.457 1.00 0.00 O ATOM 878 CB PHE A 67 3.069 -1.388 -11.302 1.00 0.00 C ATOM 879 CG PHE A 67 3.708 -1.055 -9.976 1.00 0.00 C ATOM 880 CD1 PHE A 67 5.102 -0.972 -9.871 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.907 -0.830 -8.850 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.694 -0.665 -8.640 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.500 -0.523 -7.619 1.00 0.00 C ATOM 884 CZ PHE A 67 4.893 -0.440 -7.515 1.00 0.00 C ATOM 0 H PHE A 67 2.783 1.035 -11.705 1.00 0.00 H new ATOM 0 HA PHE A 67 4.767 -0.920 -12.519 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.010 -1.133 -11.260 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.132 -2.464 -11.466 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.720 -1.145 -10.739 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.832 -0.893 -8.931 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.769 -0.602 -8.559 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.882 -0.350 -6.750 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.350 -0.202 -6.566 1.00 0.00 H new ATOM 894 N LYS A 68 3.276 -2.369 -14.169 1.00 0.00 N ATOM 895 CA LYS A 68 2.719 -2.903 -15.396 1.00 0.00 C ATOM 896 C LYS A 68 1.215 -3.084 -15.246 1.00 0.00 C ATOM 897 O LYS A 68 0.441 -2.537 -16.028 1.00 0.00 O ATOM 898 CB LYS A 68 3.394 -4.232 -15.723 1.00 0.00 C ATOM 899 CG LYS A 68 4.663 -3.973 -16.529 1.00 0.00 C ATOM 900 CD LYS A 68 5.884 -4.180 -15.638 1.00 0.00 C ATOM 901 CE LYS A 68 7.148 -4.154 -16.492 1.00 0.00 C ATOM 902 NZ LYS A 68 8.338 -3.900 -15.665 1.00 0.00 N ATOM 0 H LYS A 68 3.828 -3.038 -13.632 1.00 0.00 H new ATOM 0 HA LYS A 68 2.900 -2.207 -16.215 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.637 -4.765 -14.804 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.714 -4.868 -16.290 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.706 -4.646 -17.385 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.655 -2.957 -16.923 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.930 -3.400 -14.878 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.807 -5.132 -15.113 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.259 -5.105 -17.013 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.060 -3.381 -17.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.184 -3.887 -16.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.239 -2.981 -15.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.433 -4.652 -14.953 1.00 0.00 H new ATOM 916 N GLU A 69 0.803 -3.856 -14.238 1.00 0.00 N ATOM 917 CA GLU A 69 -0.604 -4.103 -13.993 1.00 0.00 C ATOM 918 C GLU A 69 -0.790 -4.733 -12.620 1.00 0.00 C ATOM 919 O GLU A 69 0.157 -4.824 -11.842 1.00 0.00 O ATOM 920 CB GLU A 69 -1.157 -5.014 -15.085 1.00 0.00 C ATOM 921 CG GLU A 69 -2.633 -4.698 -15.312 1.00 0.00 C ATOM 922 CD GLU A 69 -2.946 -4.606 -16.799 1.00 0.00 C ATOM 923 OE1 GLU A 69 -3.575 -3.597 -17.184 1.00 0.00 O ATOM 924 OE2 GLU A 69 -2.550 -5.545 -17.522 1.00 0.00 O ATOM 0 H GLU A 69 1.432 -4.318 -13.581 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.150 -3.160 -14.012 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.597 -4.872 -16.010 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.038 -6.058 -14.797 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.249 -5.471 -14.854 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.887 -3.757 -14.824 1.00 0.00 H new ATOM 932 N ARG A 70 -2.017 -5.169 -12.324 1.00 0.00 N ATOM 933 CA ARG A 70 -2.321 -5.787 -11.049 1.00 0.00 C ATOM 934 C ARG A 70 -1.166 -6.680 -10.620 1.00 0.00 C ATOM 935 O ARG A 70 -0.901 -6.826 -9.429 1.00 0.00 O ATOM 936 CB ARG A 70 -3.611 -6.594 -11.172 1.00 0.00 C ATOM 937 CG ARG A 70 -4.312 -6.641 -9.817 1.00 0.00 C ATOM 938 CD ARG A 70 -4.781 -8.066 -9.536 1.00 0.00 C ATOM 939 NE ARG A 70 -5.926 -8.072 -8.626 1.00 0.00 N ATOM 940 CZ ARG A 70 -6.444 -9.199 -8.119 1.00 0.00 C ATOM 941 NH1 ARG A 70 -5.911 -10.386 -8.440 1.00 0.00 N ATOM 942 NH2 ARG A 70 -7.496 -9.140 -7.291 1.00 0.00 N ATOM 0 H ARG A 70 -2.813 -5.101 -12.958 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.459 -5.017 -10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.266 -6.142 -11.917 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.389 -7.605 -11.514 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.632 -6.309 -9.032 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.162 -5.959 -9.812 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.053 -8.554 -10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.964 -8.642 -9.102 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.348 -7.180 -8.366 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.111 -10.432 -9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.306 -11.244 -8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.903 -8.237 -7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.890 -9.998 -6.905 1.00 0.00 H new ATOM 956 N ARG A 71 -0.478 -7.278 -11.595 1.00 0.00 N ATOM 957 CA ARG A 71 0.643 -8.153 -11.314 1.00 0.00 C ATOM 958 C ARG A 71 1.735 -7.377 -10.592 1.00 0.00 C ATOM 959 O ARG A 71 1.919 -7.536 -9.387 1.00 0.00 O ATOM 960 CB ARG A 71 1.171 -8.738 -12.621 1.00 0.00 C ATOM 961 CG ARG A 71 1.218 -10.259 -12.515 1.00 0.00 C ATOM 962 CD ARG A 71 -0.204 -10.809 -12.439 1.00 0.00 C ATOM 963 NE ARG A 71 -0.679 -11.221 -13.760 1.00 0.00 N ATOM 964 CZ ARG A 71 -1.689 -12.085 -13.930 1.00 0.00 C ATOM 965 NH1 ARG A 71 -2.309 -12.610 -12.865 1.00 0.00 N ATOM 966 NH2 ARG A 71 -2.078 -12.425 -15.167 1.00 0.00 N ATOM 0 H ARG A 71 -0.685 -7.166 -12.587 1.00 0.00 H new ATOM 0 HA ARG A 71 0.318 -8.970 -10.670 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.530 -8.440 -13.450 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.166 -8.346 -12.831 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.736 -10.678 -13.378 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.781 -10.555 -11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.233 -11.659 -11.757 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.870 -10.049 -12.030 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.222 -10.834 -14.586 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.012 -12.352 -11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.078 -13.268 -12.995 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.605 -12.026 -15.978 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.847 -13.083 -15.297 1.00 0.00 H new ATOM 980 N GLU A 72 2.460 -6.534 -11.331 1.00 0.00 N ATOM 981 CA GLU A 72 3.526 -5.739 -10.755 1.00 0.00 C ATOM 982 C GLU A 72 3.089 -5.182 -9.407 1.00 0.00 C ATOM 983 O GLU A 72 3.870 -5.161 -8.458 1.00 0.00 O ATOM 984 CB GLU A 72 3.891 -4.609 -11.713 1.00 0.00 C ATOM 985 CG GLU A 72 4.933 -5.105 -12.711 1.00 0.00 C ATOM 986 CD GLU A 72 6.278 -5.319 -12.032 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.548 -6.482 -11.661 1.00 0.00 O ATOM 988 OE2 GLU A 72 7.010 -4.316 -11.896 1.00 0.00 O ATOM 0 H GLU A 72 2.321 -6.390 -12.331 1.00 0.00 H new ATOM 0 HA GLU A 72 4.405 -6.365 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.002 -4.264 -12.241 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.282 -3.758 -11.156 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.596 -6.039 -13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.041 -4.382 -13.520 1.00 0.00 H new ATOM 996 N ALA A 73 1.835 -4.732 -9.324 1.00 0.00 N ATOM 997 CA ALA A 73 1.300 -4.179 -8.096 1.00 0.00 C ATOM 998 C ALA A 73 1.479 -5.176 -6.961 1.00 0.00 C ATOM 999 O ALA A 73 2.067 -4.849 -5.932 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.175 -3.840 -8.292 1.00 0.00 C ATOM 0 H ALA A 73 1.175 -4.744 -10.102 1.00 0.00 H new ATOM 0 HA ALA A 73 1.837 -3.266 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.578 -3.424 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.277 -3.109 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.725 -4.744 -8.553 1.00 0.00 H new ATOM 1006 N ARG A 74 0.969 -6.395 -7.149 1.00 0.00 N ATOM 1007 CA ARG A 74 1.074 -7.432 -6.142 1.00 0.00 C ATOM 1008 C ARG A 74 2.537 -7.775 -5.905 1.00 0.00 C ATOM 1009 O ARG A 74 2.909 -8.196 -4.811 1.00 0.00 O ATOM 1010 CB ARG A 74 0.297 -8.663 -6.599 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.180 -9.445 -5.378 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.264 -10.434 -5.799 1.00 0.00 C ATOM 1013 NE ARG A 74 -0.676 -11.665 -6.327 1.00 0.00 N ATOM 1014 CZ ARG A 74 -1.359 -12.524 -7.096 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -2.636 -12.271 -7.412 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -0.764 -13.637 -7.548 1.00 0.00 N ATOM 0 H ARG A 74 0.478 -6.681 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 74 0.649 -7.077 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.556 -8.363 -7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.929 -9.294 -7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.656 -9.977 -4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.570 -8.761 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.899 -10.668 -4.945 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.903 -9.978 -6.556 1.00 0.00 H new ATOM 0 HE ARG A 74 0.295 -11.879 -6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.089 -11.424 -7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.156 -12.925 -7.997 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.208 -13.830 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.283 -14.291 -8.133 1.00 0.00 H new ATOM 1030 N LYS A 75 3.369 -7.594 -6.933 1.00 0.00 N ATOM 1031 CA LYS A 75 4.785 -7.884 -6.829 1.00 0.00 C ATOM 1032 C LYS A 75 5.434 -6.946 -5.821 1.00 0.00 C ATOM 1033 O LYS A 75 6.263 -7.370 -5.019 1.00 0.00 O ATOM 1034 CB LYS A 75 5.436 -7.736 -8.201 1.00 0.00 C ATOM 1035 CG LYS A 75 6.943 -7.943 -8.074 1.00 0.00 C ATOM 1036 CD LYS A 75 7.233 -9.415 -7.792 1.00 0.00 C ATOM 1037 CE LYS A 75 7.340 -10.174 -9.111 1.00 0.00 C ATOM 1038 NZ LYS A 75 6.650 -11.471 -9.031 1.00 0.00 N ATOM 0 H LYS A 75 3.077 -7.246 -7.846 1.00 0.00 H new ATOM 0 HA LYS A 75 4.924 -8.908 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.015 -8.463 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.227 -6.747 -8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.442 -7.632 -8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.340 -7.323 -7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.161 -9.512 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.440 -9.842 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.908 -9.577 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.389 -10.331 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.738 -11.967 -9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.080 -12.047 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.644 -11.316 -8.816 1.00 0.00 H new ATOM 1052 N TYR A 76 5.055 -5.667 -5.864 1.00 0.00 N ATOM 1053 CA TYR A 76 5.602 -4.678 -4.957 1.00 0.00 C ATOM 1054 C TYR A 76 5.112 -4.949 -3.541 1.00 0.00 C ATOM 1055 O TYR A 76 5.914 -5.078 -2.619 1.00 0.00 O ATOM 1056 CB TYR A 76 5.187 -3.284 -5.416 1.00 0.00 C ATOM 1057 CG TYR A 76 6.096 -2.188 -4.913 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.352 -1.996 -5.500 1.00 0.00 C ATOM 1059 CD2 TYR A 76 5.681 -1.364 -3.860 1.00 0.00 C ATOM 1060 CE1 TYR A 76 8.195 -0.980 -5.033 1.00 0.00 C ATOM 1061 CE2 TYR A 76 6.524 -0.348 -3.393 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.781 -0.156 -3.980 1.00 0.00 C ATOM 1063 OH TYR A 76 8.602 0.834 -3.524 1.00 0.00 O ATOM 0 H TYR A 76 4.369 -5.299 -6.523 1.00 0.00 H new ATOM 0 HA TYR A 76 6.690 -4.738 -4.960 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.170 -3.259 -6.506 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.170 -3.086 -5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.671 -2.631 -6.313 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.711 -1.512 -3.408 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.165 -0.832 -5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.205 0.288 -2.580 1.00 0.00 H new ATOM 0 HH TYR A 76 9.394 0.436 -3.106 1.00 0.00 H new ATOM 1073 N ALA A 77 3.791 -5.034 -3.372 1.00 0.00 N ATOM 1074 CA ALA A 77 3.202 -5.287 -2.072 1.00 0.00 C ATOM 1075 C ALA A 77 3.923 -6.444 -1.396 1.00 0.00 C ATOM 1076 O ALA A 77 4.342 -6.330 -0.246 1.00 0.00 O ATOM 1077 CB ALA A 77 1.717 -5.598 -2.239 1.00 0.00 C ATOM 0 H ALA A 77 3.113 -4.930 -4.127 1.00 0.00 H new ATOM 0 HA ALA A 77 3.306 -4.403 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.273 -5.788 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.218 -4.749 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.598 -6.479 -2.869 1.00 0.00 H new ATOM 1083 N SER A 78 4.066 -7.561 -2.113 1.00 0.00 N ATOM 1084 CA SER A 78 4.735 -8.730 -1.579 1.00 0.00 C ATOM 1085 C SER A 78 6.147 -8.364 -1.143 1.00 0.00 C ATOM 1086 O SER A 78 6.646 -8.883 -0.147 1.00 0.00 O ATOM 1087 CB SER A 78 4.764 -9.828 -2.639 1.00 0.00 C ATOM 1088 OG SER A 78 3.500 -9.915 -3.259 1.00 0.00 O ATOM 0 H SER A 78 3.723 -7.672 -3.067 1.00 0.00 H new ATOM 0 HA SER A 78 4.192 -9.098 -0.708 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.531 -9.611 -3.382 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.024 -10.783 -2.182 1.00 0.00 H new ATOM 0 HG SER A 78 3.512 -9.410 -4.099 1.00 0.00 H new ATOM 1094 N SER A 79 6.790 -7.466 -1.893 1.00 0.00 N ATOM 1095 CA SER A 79 8.138 -7.035 -1.579 1.00 0.00 C ATOM 1096 C SER A 79 8.137 -6.242 -0.280 1.00 0.00 C ATOM 1097 O SER A 79 9.120 -6.255 0.458 1.00 0.00 O ATOM 1098 CB SER A 79 8.681 -6.190 -2.728 1.00 0.00 C ATOM 1099 OG SER A 79 9.562 -6.967 -3.507 1.00 0.00 O ATOM 0 H SER A 79 6.390 -7.027 -2.722 1.00 0.00 H new ATOM 0 HA SER A 79 8.781 -7.905 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.860 -5.824 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.200 -5.315 -2.337 1.00 0.00 H new ATOM 0 HG SER A 79 9.910 -6.425 -4.246 1.00 0.00 H new ATOM 1105 N MET A 80 7.029 -5.552 0.001 1.00 0.00 N ATOM 1106 CA MET A 80 6.910 -4.759 1.208 1.00 0.00 C ATOM 1107 C MET A 80 6.727 -5.673 2.411 1.00 0.00 C ATOM 1108 O MET A 80 7.275 -5.413 3.480 1.00 0.00 O ATOM 1109 CB MET A 80 5.729 -3.803 1.072 1.00 0.00 C ATOM 1110 CG MET A 80 6.217 -2.366 1.229 1.00 0.00 C ATOM 1111 SD MET A 80 5.665 -1.565 2.755 1.00 0.00 S ATOM 1112 CE MET A 80 3.880 -1.804 2.578 1.00 0.00 C ATOM 0 H MET A 80 6.204 -5.532 -0.598 1.00 0.00 H new ATOM 0 HA MET A 80 7.819 -4.176 1.355 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.253 -3.932 0.100 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.977 -4.028 1.828 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.307 -2.358 1.200 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.871 -1.780 0.377 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.368 -1.369 3.436 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.536 -1.317 1.666 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.659 -2.870 2.525 1.00 0.00 H new ATOM 1122 N LEU A 81 5.952 -6.746 2.235 1.00 0.00 N ATOM 1123 CA LEU A 81 5.701 -7.691 3.304 1.00 0.00 C ATOM 1124 C LEU A 81 7.007 -8.340 3.738 1.00 0.00 C ATOM 1125 O LEU A 81 7.306 -8.404 4.929 1.00 0.00 O ATOM 1126 CB LEU A 81 4.706 -8.746 2.826 1.00 0.00 C ATOM 1127 CG LEU A 81 4.555 -9.824 3.896 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.703 -10.822 3.778 1.00 0.00 C ATOM 1129 CD2 LEU A 81 4.583 -9.177 5.278 1.00 0.00 C ATOM 0 H LEU A 81 5.490 -6.975 1.355 1.00 0.00 H new ATOM 0 HA LEU A 81 5.275 -7.170 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.740 -8.284 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.051 -9.191 1.893 1.00 0.00 H new ATOM 0 HG LEU A 81 3.607 -10.343 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.596 -11.592 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.683 -11.285 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.652 -10.303 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.475 -9.947 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.531 -8.657 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.763 -8.464 5.363 1.00 0.00 H new ATOM 1141 N LYS A 82 7.788 -8.822 2.768 1.00 0.00 N ATOM 1142 CA LYS A 82 9.056 -9.462 3.055 1.00 0.00 C ATOM 1143 C LYS A 82 9.963 -8.498 3.807 1.00 0.00 C ATOM 1144 O LYS A 82 10.438 -8.810 4.896 1.00 0.00 O ATOM 1145 CB LYS A 82 9.706 -9.909 1.750 1.00 0.00 C ATOM 1146 CG LYS A 82 9.423 -11.391 1.523 1.00 0.00 C ATOM 1147 CD LYS A 82 7.945 -11.673 1.779 1.00 0.00 C ATOM 1148 CE LYS A 82 7.804 -12.584 2.995 1.00 0.00 C ATOM 1149 NZ LYS A 82 8.554 -13.835 2.807 1.00 0.00 N ATOM 0 H LYS A 82 7.555 -8.777 1.776 1.00 0.00 H new ATOM 0 HA LYS A 82 8.891 -10.338 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.317 -9.322 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.781 -9.735 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.686 -11.670 0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.040 -11.996 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.409 -10.739 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.497 -12.144 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.167 -12.068 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.751 -12.809 3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.094 -14.599 3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.571 -14.081 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.528 -13.711 3.150 1.00 0.00 H new ATOM 1163 N HIS A 83 10.204 -7.322 3.222 1.00 0.00 N ATOM 1164 CA HIS A 83 11.055 -6.324 3.840 1.00 0.00 C ATOM 1165 C HIS A 83 10.803 -6.284 5.340 1.00 0.00 C ATOM 1166 O HIS A 83 11.702 -5.963 6.115 1.00 0.00 O ATOM 1167 CB HIS A 83 10.779 -4.962 3.209 1.00 0.00 C ATOM 1168 CG HIS A 83 12.036 -4.254 2.785 1.00 0.00 C ATOM 1169 ND1 HIS A 83 13.051 -3.834 3.615 1.00 0.00 N ATOM 1170 CD2 HIS A 83 12.376 -3.912 1.504 1.00 0.00 C ATOM 1171 CE1 HIS A 83 13.983 -3.249 2.841 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.619 -3.272 1.548 1.00 0.00 N ATOM 0 H HIS A 83 9.817 -7.045 2.320 1.00 0.00 H new ATOM 0 HA HIS A 83 12.101 -6.582 3.676 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.130 -5.092 2.343 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.238 -4.339 3.921 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.789 -4.102 0.617 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.902 -2.818 3.210 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.144 -2.898 0.757 1.00 0.00 H new ATOM 1180 N GLY A 84 9.575 -6.611 5.751 1.00 0.00 N ATOM 1181 CA GLY A 84 9.217 -6.609 7.155 1.00 0.00 C ATOM 1182 C GLY A 84 8.423 -5.356 7.496 1.00 0.00 C ATOM 1183 O GLY A 84 8.228 -5.040 8.667 1.00 0.00 O ATOM 0 H GLY A 84 8.817 -6.880 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.628 -7.496 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.118 -6.655 7.767 1.00 0.00 H new ATOM 1187 N PHE A 85 7.965 -4.640 6.466 1.00 0.00 N ATOM 1188 CA PHE A 85 7.196 -3.427 6.662 1.00 0.00 C ATOM 1189 C PHE A 85 5.745 -3.778 6.961 1.00 0.00 C ATOM 1190 O PHE A 85 4.917 -2.890 7.153 1.00 0.00 O ATOM 1191 CB PHE A 85 7.296 -2.556 5.413 1.00 0.00 C ATOM 1192 CG PHE A 85 8.700 -2.089 5.114 1.00 0.00 C ATOM 1193 CD1 PHE A 85 9.524 -1.638 6.152 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.180 -2.110 3.799 1.00 0.00 C ATOM 1195 CE1 PHE A 85 10.827 -1.208 5.875 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.483 -1.679 3.522 1.00 0.00 C ATOM 1197 CZ PHE A 85 11.306 -1.228 4.560 1.00 0.00 C ATOM 0 H PHE A 85 8.118 -4.887 5.488 1.00 0.00 H new ATOM 0 HA PHE A 85 7.596 -2.871 7.510 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.918 -3.117 4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.650 -1.686 5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.154 -1.622 7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.545 -2.459 2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.463 -0.861 6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.853 -1.695 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.311 -0.895 4.346 1.00 0.00 H new ATOM 1207 N LEU A 86 5.439 -5.077 7.002 1.00 0.00 N ATOM 1208 CA LEU A 86 4.093 -5.538 7.277 1.00 0.00 C ATOM 1209 C LEU A 86 4.139 -6.730 8.222 1.00 0.00 C ATOM 1210 O LEU A 86 5.094 -7.503 8.205 1.00 0.00 O ATOM 1211 CB LEU A 86 3.406 -5.913 5.967 1.00 0.00 C ATOM 1212 CG LEU A 86 2.238 -4.964 5.716 1.00 0.00 C ATOM 1213 CD1 LEU A 86 1.868 -4.993 4.236 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.038 -5.402 6.550 1.00 0.00 C ATOM 0 H LEU A 86 6.115 -5.825 6.846 1.00 0.00 H new ATOM 0 HA LEU A 86 3.523 -4.742 7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.117 -5.858 5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.049 -6.942 6.012 1.00 0.00 H new ATOM 0 HG LEU A 86 2.526 -3.951 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.034 -4.315 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.725 -4.679 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.580 -6.005 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.203 -4.724 6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.750 -6.415 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.302 -5.380 7.607 1.00 0.00 H new ATOM 1226 N ARG A 87 3.101 -6.877 9.050 1.00 0.00 N ATOM 1227 CA ARG A 87 3.028 -7.971 9.997 1.00 0.00 C ATOM 1228 C ARG A 87 1.796 -8.818 9.711 1.00 0.00 C ATOM 1229 O ARG A 87 0.696 -8.290 9.569 1.00 0.00 O ATOM 1230 CB ARG A 87 2.982 -7.412 11.416 1.00 0.00 C ATOM 1231 CG ARG A 87 4.137 -7.990 12.228 1.00 0.00 C ATOM 1232 CD ARG A 87 5.425 -7.251 11.878 1.00 0.00 C ATOM 1233 NE ARG A 87 6.547 -7.745 12.676 1.00 0.00 N ATOM 1234 CZ ARG A 87 6.681 -7.480 13.983 1.00 0.00 C ATOM 1235 NH1 ARG A 87 5.763 -6.734 14.612 1.00 0.00 N ATOM 1236 NH2 ARG A 87 7.733 -7.960 14.660 1.00 0.00 N ATOM 0 H ARG A 87 2.301 -6.245 9.076 1.00 0.00 H new ATOM 0 HA ARG A 87 3.911 -8.603 9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.049 -6.324 11.392 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.031 -7.663 11.886 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.929 -7.896 13.294 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.247 -9.054 12.018 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.645 -7.378 10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.294 -6.183 12.051 1.00 0.00 H new ATOM 0 HE ARG A 87 7.258 -8.316 12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.963 -6.368 14.096 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.864 -6.532 15.607 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.432 -8.527 14.181 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.835 -7.758 15.655 1.00 0.00 H new ATOM 1250 N HIS A 88 1.982 -10.138 9.628 1.00 0.00 N ATOM 1251 CA HIS A 88 0.885 -11.046 9.358 1.00 0.00 C ATOM 1252 C HIS A 88 0.648 -11.947 10.562 1.00 0.00 C ATOM 1253 O HIS A 88 1.237 -11.740 11.621 1.00 0.00 O ATOM 1254 CB HIS A 88 1.205 -11.875 8.117 1.00 0.00 C ATOM 1255 CG HIS A 88 1.283 -11.041 6.868 1.00 0.00 C ATOM 1256 ND1 HIS A 88 1.452 -11.514 5.586 1.00 0.00 N ATOM 1257 CD2 HIS A 88 1.199 -9.677 6.801 1.00 0.00 C ATOM 1258 CE1 HIS A 88 1.469 -10.448 4.766 1.00 0.00 C ATOM 1259 NE2 HIS A 88 1.318 -9.307 5.458 1.00 0.00 N ATOM 0 H HIS A 88 2.887 -10.594 9.745 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.025 -10.475 9.174 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.154 -12.391 8.264 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.441 -12.642 7.990 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.065 -9.006 7.636 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.588 -10.502 3.694 1.00 0.00 H new ATOM 0 HE2 HIS A 88 1.295 -8.360 5.080 1.00 0.00 H new ATOM 1267 N THR A 89 -0.216 -12.951 10.398 1.00 0.00 N ATOM 1268 CA THR A 89 -0.522 -13.876 11.471 1.00 0.00 C ATOM 1269 C THR A 89 -0.022 -15.268 11.114 1.00 0.00 C ATOM 1270 O THR A 89 -0.582 -16.266 11.564 1.00 0.00 O ATOM 1271 CB THR A 89 -2.028 -13.888 11.717 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.697 -14.213 10.519 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.477 -12.510 12.193 1.00 0.00 C ATOM 0 H THR A 89 -0.713 -13.137 9.527 1.00 0.00 H new ATOM 0 HA THR A 89 -0.020 -13.557 12.384 1.00 0.00 H new ATOM 0 HB THR A 89 -2.266 -14.630 12.479 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.646 -13.455 9.900 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.553 -12.518 12.369 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.960 -12.259 13.119 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.240 -11.767 11.432 1.00 0.00 H new ATOM 1281 N VAL A 90 1.036 -15.334 10.302 1.00 0.00 N ATOM 1282 CA VAL A 90 1.605 -16.600 9.889 1.00 0.00 C ATOM 1283 C VAL A 90 2.923 -16.833 10.614 1.00 0.00 C ATOM 1284 O VAL A 90 3.224 -16.152 11.592 1.00 0.00 O ATOM 1285 CB VAL A 90 1.814 -16.594 8.377 1.00 0.00 C ATOM 1286 CG1 VAL A 90 0.493 -16.276 7.683 1.00 0.00 C ATOM 1287 CG2 VAL A 90 2.850 -15.535 8.011 1.00 0.00 C ATOM 0 H VAL A 90 1.511 -14.516 9.921 1.00 0.00 H new ATOM 0 HA VAL A 90 0.923 -17.411 10.145 1.00 0.00 H new ATOM 0 HB VAL A 90 2.167 -17.573 8.054 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.641 -16.271 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.247 -17.033 7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.140 -15.296 8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.000 -15.530 6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.498 -14.555 8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.794 -15.762 8.507 1.00 0.00 H new ATOM 1297 N ASN A 91 3.709 -17.799 10.133 1.00 0.00 N ATOM 1298 CA ASN A 91 4.988 -18.113 10.738 1.00 0.00 C ATOM 1299 C ASN A 91 5.755 -16.831 11.028 1.00 0.00 C ATOM 1300 O ASN A 91 5.817 -16.387 12.172 1.00 0.00 O ATOM 1301 CB ASN A 91 5.783 -19.018 9.800 1.00 0.00 C ATOM 1302 CG ASN A 91 5.714 -20.468 10.256 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.991 -20.770 11.414 1.00 0.00 O ATOM 1304 ND2 ASN A 91 5.341 -21.366 9.341 1.00 0.00 N ATOM 0 H ASN A 91 3.474 -18.374 9.324 1.00 0.00 H new ATOM 0 HA ASN A 91 4.829 -18.636 11.681 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.391 -18.932 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.823 -18.692 9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.276 -22.353 9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.121 -21.065 8.391 1.00 0.00 H new ATOM 1311 N LYS A 92 6.339 -16.234 9.986 1.00 0.00 N ATOM 1312 CA LYS A 92 7.096 -15.008 10.135 1.00 0.00 C ATOM 1313 C LYS A 92 6.387 -13.871 9.413 1.00 0.00 C ATOM 1314 O LYS A 92 5.827 -12.981 10.050 1.00 0.00 O ATOM 1315 CB LYS A 92 8.502 -15.208 9.577 1.00 0.00 C ATOM 1316 CG LYS A 92 9.029 -16.575 10.005 1.00 0.00 C ATOM 1317 CD LYS A 92 10.534 -16.491 10.240 1.00 0.00 C ATOM 1318 CE LYS A 92 10.822 -16.593 11.735 1.00 0.00 C ATOM 1319 NZ LYS A 92 11.658 -15.471 12.190 1.00 0.00 N ATOM 0 H LYS A 92 6.296 -16.588 9.030 1.00 0.00 H new ATOM 0 HA LYS A 92 7.171 -14.750 11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.487 -15.136 8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.164 -14.421 9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.526 -16.901 10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.811 -17.317 9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.042 -17.294 9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.922 -15.551 9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.884 -16.600 12.290 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.326 -17.536 11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.839 -15.564 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.562 -15.481 11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.165 -14.574 12.007 1.00 0.00 H new ATOM 1333 N ILE A 93 6.413 -13.902 8.078 1.00 0.00 N ATOM 1334 CA ILE A 93 5.774 -12.878 7.276 1.00 0.00 C ATOM 1335 C ILE A 93 5.054 -13.522 6.099 1.00 0.00 C ATOM 1336 O ILE A 93 3.826 -13.527 6.048 1.00 0.00 O ATOM 1337 CB ILE A 93 6.824 -11.884 6.790 1.00 0.00 C ATOM 1338 CG1 ILE A 93 8.172 -12.588 6.662 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.942 -10.739 7.792 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.968 -12.400 7.951 1.00 0.00 C ATOM 0 H ILE A 93 6.874 -14.633 7.536 1.00 0.00 H new ATOM 0 HA ILE A 93 5.039 -12.343 7.878 1.00 0.00 H new ATOM 0 HB ILE A 93 6.527 -11.489 5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.023 -13.650 6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.727 -12.182 5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.692 -10.028 7.446 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.980 -10.235 7.884 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.238 -11.135 8.763 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.931 -12.903 7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.129 -11.336 8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.413 -12.827 8.787 1.00 0.00 H new ATOM 1352 N THR A 94 5.821 -14.066 5.151 1.00 0.00 N ATOM 1353 CA THR A 94 5.249 -14.708 3.985 1.00 0.00 C ATOM 1354 C THR A 94 3.986 -13.975 3.557 1.00 0.00 C ATOM 1355 O THR A 94 2.903 -14.246 4.071 1.00 0.00 O ATOM 1356 CB THR A 94 4.945 -16.168 4.307 1.00 0.00 C ATOM 1357 OG1 THR A 94 4.147 -16.237 5.467 1.00 0.00 O ATOM 1358 CG2 THR A 94 6.251 -16.920 4.542 1.00 0.00 C ATOM 0 H THR A 94 6.841 -14.070 5.176 1.00 0.00 H new ATOM 0 HA THR A 94 5.961 -14.672 3.160 1.00 0.00 H new ATOM 0 HB THR A 94 4.411 -16.621 3.471 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.374 -15.643 5.368 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.034 -17.963 4.772 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.868 -16.867 3.645 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.786 -16.468 5.377 1.00 0.00 H new ATOM 1366 N PHE A 95 4.126 -13.045 2.610 1.00 0.00 N ATOM 1367 CA PHE A 95 2.997 -12.280 2.119 1.00 0.00 C ATOM 1368 C PHE A 95 1.817 -13.208 1.862 1.00 0.00 C ATOM 1369 O PHE A 95 1.964 -14.427 1.905 1.00 0.00 O ATOM 1370 CB PHE A 95 3.397 -11.548 0.841 1.00 0.00 C ATOM 1371 CG PHE A 95 2.387 -10.518 0.395 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.198 -9.351 1.145 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.641 -10.729 -0.771 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.263 -8.396 0.730 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.706 -9.773 -1.186 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.517 -8.607 -0.436 1.00 0.00 C ATOM 0 H PHE A 95 5.016 -12.809 2.172 1.00 0.00 H new ATOM 0 HA PHE A 95 2.699 -11.544 2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.358 -11.058 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.537 -12.277 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.774 -9.188 2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.787 -11.629 -1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.117 -7.496 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.130 -9.936 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.204 -7.870 -0.756 1.00 0.00 H new ATOM 1386 N SER A 96 0.646 -12.627 1.595 1.00 0.00 N ATOM 1387 CA SER A 96 -0.549 -13.403 1.332 1.00 0.00 C ATOM 1388 C SER A 96 -1.590 -12.532 0.643 1.00 0.00 C ATOM 1389 O SER A 96 -1.844 -12.691 -0.549 1.00 0.00 O ATOM 1390 CB SER A 96 -1.093 -13.958 2.646 1.00 0.00 C ATOM 1391 OG SER A 96 -1.219 -15.359 2.547 1.00 0.00 O ATOM 0 H SER A 96 0.508 -11.617 1.557 1.00 0.00 H new ATOM 0 HA SER A 96 -0.308 -14.236 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.425 -13.699 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.061 -13.510 2.870 1.00 0.00 H new ATOM 0 HG SER A 96 -1.567 -15.717 3.391 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.192 -11.608 1.396 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.198 -10.719 0.851 1.00 0.00 C ATOM 1399 C GLU A 97 -4.574 -11.361 0.962 1.00 0.00 C ATOM 1400 O GLU A 97 -5.451 -11.100 0.142 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.863 -10.404 -0.604 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.500 -9.075 -0.997 1.00 0.00 C ATOM 1403 CD GLU A 97 -4.543 -9.273 -2.087 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -4.165 -9.119 -3.269 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -5.699 -9.575 -1.719 1.00 0.00 O ATOM 0 H GLU A 97 -1.994 -11.463 2.386 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.209 -9.788 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.782 -10.355 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.228 -11.200 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.964 -8.617 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.730 -8.387 -1.346 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.761 -12.203 1.981 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.026 -12.876 2.193 1.00 0.00 C ATOM 1415 C GLN A 98 -6.408 -12.808 3.665 1.00 0.00 C ATOM 1416 O GLN A 98 -7.557 -12.526 3.998 1.00 0.00 O ATOM 1417 CB GLN A 98 -5.912 -14.326 1.731 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.145 -14.700 0.914 1.00 0.00 C ATOM 1419 CD GLN A 98 -6.761 -15.541 -0.295 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -6.095 -16.565 -0.155 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -7.183 -15.107 -1.485 1.00 0.00 N ATOM 0 H GLN A 98 -4.044 -12.430 2.670 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.806 -12.383 1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.012 -14.458 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.820 -14.987 2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.846 -15.253 1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -7.656 -13.795 0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.733 -14.251 -1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.955 -15.632 -2.329 1.00 0.00 H new ATOM 1430 N CYS A 99 -5.438 -13.066 4.546 1.00 0.00 N ATOM 1431 CA CYS A 99 -5.671 -13.033 5.976 1.00 0.00 C ATOM 1432 C CYS A 99 -5.371 -11.639 6.508 1.00 0.00 C ATOM 1433 O CYS A 99 -4.212 -11.296 6.735 1.00 0.00 O ATOM 1434 CB CYS A 99 -4.790 -14.075 6.658 1.00 0.00 C ATOM 1435 SG CYS A 99 -5.333 -14.261 8.375 1.00 0.00 S ATOM 0 H CYS A 99 -4.481 -13.301 4.283 1.00 0.00 H new ATOM 0 HA CYS A 99 -6.714 -13.267 6.188 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.859 -15.029 6.135 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.745 -13.767 6.624 1.00 0.00 H new ATOM 0 HG CYS A 99 -4.297 -14.260 9.160 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.417 -10.834 6.708 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.257 -9.484 7.210 1.00 0.00 C ATOM 1443 C TYR A 100 -5.030 -9.410 8.108 1.00 0.00 C ATOM 1444 O TYR A 100 -4.893 -10.198 9.042 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.512 -9.075 7.975 1.00 0.00 C ATOM 1446 CG TYR A 100 -8.130 -10.203 8.766 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -9.042 -11.071 8.153 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.791 -10.381 10.113 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.616 -12.116 8.887 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -8.365 -11.427 10.847 1.00 0.00 C ATOM 1451 CZ TYR A 100 -9.277 -12.294 10.234 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.836 -13.312 10.949 1.00 0.00 O ATOM 0 H TYR A 100 -7.384 -11.103 6.527 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.115 -8.796 6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.264 -8.259 8.654 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.249 -8.690 7.270 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.303 -10.934 7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.087 -9.712 10.586 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.320 -12.785 8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.104 -11.564 11.886 1.00 0.00 H new ATOM 0 HH TYR A 100 -9.492 -13.294 11.867 1.00 0.00 H new ATOM 1462 N TYR A 101 -4.137 -8.459 7.824 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.928 -8.290 8.606 1.00 0.00 C ATOM 1464 C TYR A 101 -2.771 -6.829 9.003 1.00 0.00 C ATOM 1465 O TYR A 101 -3.642 -6.010 8.721 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.727 -8.762 7.791 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.718 -10.250 7.538 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.180 -11.131 8.523 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -1.246 -10.750 6.318 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -2.170 -12.511 8.288 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -1.237 -12.130 6.083 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.699 -13.011 7.068 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.689 -14.355 6.839 1.00 0.00 O ATOM 0 H TYR A 101 -4.236 -7.797 7.055 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.991 -8.888 9.515 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.719 -8.239 6.835 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.812 -8.485 8.314 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.544 -10.746 9.464 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.889 -10.071 5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.526 -13.190 9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.874 -12.515 5.142 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.250 -14.805 7.505 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.655 -6.505 9.660 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.388 -5.148 10.092 1.00 0.00 C ATOM 1485 C VAL A 102 0.106 -4.869 10.022 1.00 0.00 C ATOM 1486 O VAL A 102 0.918 -5.765 10.244 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.908 -4.956 11.514 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.740 -4.649 12.446 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.899 -3.795 11.540 1.00 0.00 C ATOM 0 H VAL A 102 -0.924 -7.174 9.901 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.900 -4.446 9.434 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.406 -5.867 11.845 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.111 -4.512 13.462 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.032 -5.478 12.427 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.241 -3.738 12.116 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.271 -3.657 12.555 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.401 -2.884 11.209 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.734 -4.014 10.874 1.00 0.00 H new ATOM 1499 N PHE A 103 0.469 -3.622 9.712 1.00 0.00 N ATOM 1500 CA PHE A 103 1.862 -3.235 9.615 1.00 0.00 C ATOM 1501 C PHE A 103 2.661 -3.899 10.728 1.00 0.00 C ATOM 1502 O PHE A 103 2.088 -4.391 11.698 1.00 0.00 O ATOM 1503 CB PHE A 103 1.974 -1.716 9.701 1.00 0.00 C ATOM 1504 CG PHE A 103 1.412 -1.141 10.980 1.00 0.00 C ATOM 1505 CD1 PHE A 103 0.063 -0.773 11.049 1.00 0.00 C ATOM 1506 CD2 PHE A 103 2.240 -0.980 12.098 1.00 0.00 C ATOM 1507 CE1 PHE A 103 -0.458 -0.242 12.236 1.00 0.00 C ATOM 1508 CE2 PHE A 103 1.719 -0.450 13.284 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.370 -0.081 13.353 1.00 0.00 C ATOM 0 H PHE A 103 -0.191 -2.867 9.525 1.00 0.00 H new ATOM 0 HA PHE A 103 2.269 -3.563 8.658 1.00 0.00 H new ATOM 0 HB2 PHE A 103 3.023 -1.432 9.614 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.452 -1.273 8.853 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.576 -0.898 10.187 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.280 -1.265 12.045 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.498 0.043 12.289 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.358 -0.326 14.146 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.032 0.328 14.268 1.00 0.00 H new ATOM 1519 N GLY A 104 3.989 -3.912 10.588 1.00 0.00 N ATOM 1520 CA GLY A 104 4.853 -4.515 11.583 1.00 0.00 C ATOM 1521 C GLY A 104 6.055 -3.620 11.849 1.00 0.00 C ATOM 1522 O GLY A 104 6.098 -2.480 11.392 1.00 0.00 O ATOM 0 H GLY A 104 4.482 -3.509 9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.298 -4.675 12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.188 -5.493 11.239 1.00 0.00 H new ATOM 1526 N ASP A 105 7.035 -4.140 12.593 1.00 0.00 N ATOM 1527 CA ASP A 105 8.230 -3.388 12.917 1.00 0.00 C ATOM 1528 C ASP A 105 9.256 -4.306 13.565 1.00 0.00 C ATOM 1529 O ASP A 105 9.314 -4.409 14.788 1.00 0.00 O ATOM 1530 CB ASP A 105 7.867 -2.237 13.852 1.00 0.00 C ATOM 1531 CG ASP A 105 8.974 -1.192 13.883 1.00 0.00 C ATOM 1532 OD1 ASP A 105 8.630 0.003 13.757 1.00 0.00 O ATOM 1533 OD2 ASP A 105 10.143 -1.609 14.032 1.00 0.00 O ATOM 0 H ASP A 105 7.015 -5.084 12.979 1.00 0.00 H new ATOM 0 HA ASP A 105 8.664 -2.976 12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.936 -1.776 13.523 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.695 -2.621 14.858 1.00 0.00 H new TER 1539 ASP A 105