USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 THR OG1 : rot -71:sc= -2.27! USER MOD Set 1.2: A 77 LYS NZ :NH3+ 152:sc= 0.0876 (180deg=-0.752) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 55 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.306 (180deg=-3.18!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0949 USER MOD Single : A 5 TYR OH : rot 128:sc= -4.13! USER MOD Single : A 14 SER OG : rot 180:sc= -0.351 USER MOD Single : A 16 LYS NZ :NH3+ -131:sc= -0.381 (180deg=-1.81!) USER MOD Single : A 18 TYR OH : rot 14:sc= -0.987 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 130:sc= -0.018 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 31 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -4.82! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= 0.147 (180deg=0.0686) USER MOD Single : A 41 ASN : amide:sc= -0.81 K(o=-0.81,f=-0.0039) USER MOD Single : A 45 THR OG1 : rot -68:sc= -4.62! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 142:sc= -0.374 (180deg=-2.39!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -5.73! C(o=-5.7!,f=-4.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.00435) USER MOD Single : A 78 LYS NZ :NH3+ -124:sc= -2.31! (180deg=-5.22!) USER MOD Single : A 82 GLN : amide:sc= -7.87! C(o=-7.9!,f=-3.8!) USER MOD Single : A 87 GLN : amide:sc= -9.78! C(o=-9.8!,f=-16!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.439 -18.218 8.408 1.00 0.00 N ATOM 2 CA MET A 1 -7.213 -17.625 7.277 1.00 0.00 C ATOM 3 C MET A 1 -6.366 -16.597 6.531 1.00 0.00 C ATOM 4 O MET A 1 -6.213 -15.478 6.976 1.00 0.00 O ATOM 5 CB MET A 1 -8.421 -16.928 7.918 1.00 0.00 C ATOM 6 CG MET A 1 -7.996 -16.243 9.221 1.00 0.00 C ATOM 7 SD MET A 1 -8.713 -17.127 10.629 1.00 0.00 S ATOM 8 CE MET A 1 -8.358 -15.874 11.886 1.00 0.00 C ATOM 0 H1 MET A 1 -7.083 -18.425 9.198 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.983 -19.098 8.093 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.712 -17.544 8.722 1.00 0.00 H new ATOM 0 HA MET A 1 -7.512 -18.389 6.559 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.836 -16.193 7.229 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.207 -17.656 8.119 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.909 -16.231 9.301 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.327 -15.204 9.223 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.722 -16.217 12.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.282 -15.708 11.941 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.856 -14.941 11.621 1.00 0.00 H new ATOM 20 N LYS A 2 -5.838 -16.941 5.388 1.00 0.00 N ATOM 21 CA LYS A 2 -5.044 -15.921 4.643 1.00 0.00 C ATOM 22 C LYS A 2 -6.004 -15.095 3.808 1.00 0.00 C ATOM 23 O LYS A 2 -5.985 -15.118 2.593 1.00 0.00 O ATOM 24 CB LYS A 2 -4.019 -16.633 3.736 1.00 0.00 C ATOM 25 CG LYS A 2 -4.037 -18.152 3.942 1.00 0.00 C ATOM 26 CD LYS A 2 -2.785 -18.770 3.315 1.00 0.00 C ATOM 27 CE LYS A 2 -1.803 -19.165 4.419 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.457 -19.066 3.790 1.00 0.00 N ATOM 0 H LYS A 2 -5.917 -17.857 4.947 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.504 -15.273 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.236 -16.405 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.020 -16.249 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.076 -18.384 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.932 -18.580 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.055 -19.645 2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.317 -18.058 2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.887 -18.500 5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.998 -20.176 4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.271 -19.322 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.404 -19.715 2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.297 -18.091 3.464 1.00 0.00 H new ATOM 42 N THR A 3 -6.849 -14.365 4.466 1.00 0.00 N ATOM 43 CA THR A 3 -7.835 -13.525 3.747 1.00 0.00 C ATOM 44 C THR A 3 -7.439 -12.057 3.904 1.00 0.00 C ATOM 45 O THR A 3 -6.487 -11.597 3.308 1.00 0.00 O ATOM 46 CB THR A 3 -9.168 -13.821 4.436 1.00 0.00 C ATOM 47 OG1 THR A 3 -8.984 -13.793 5.845 1.00 0.00 O ATOM 48 CG2 THR A 3 -9.664 -15.203 4.012 1.00 0.00 C ATOM 0 H THR A 3 -6.900 -14.313 5.483 1.00 0.00 H new ATOM 0 HA THR A 3 -7.890 -13.731 2.678 1.00 0.00 H new ATOM 0 HB THR A 3 -9.904 -13.069 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.837 -13.981 6.290 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.614 -15.415 4.503 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.801 -15.224 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.931 -15.957 4.300 1.00 0.00 H new ATOM 56 N ALA A 4 -8.131 -11.326 4.728 1.00 0.00 N ATOM 57 CA ALA A 4 -7.759 -9.907 4.945 1.00 0.00 C ATOM 58 C ALA A 4 -6.651 -9.834 6.002 1.00 0.00 C ATOM 59 O ALA A 4 -6.098 -8.791 6.275 1.00 0.00 O ATOM 60 CB ALA A 4 -9.041 -9.262 5.434 1.00 0.00 C ATOM 0 H ALA A 4 -8.938 -11.651 5.260 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.375 -9.409 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.866 -8.203 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.816 -9.372 4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.364 -9.747 6.355 1.00 0.00 H new ATOM 66 N TYR A 5 -6.323 -10.963 6.573 1.00 0.00 N ATOM 67 CA TYR A 5 -5.241 -11.050 7.594 1.00 0.00 C ATOM 68 C TYR A 5 -3.930 -10.424 7.072 1.00 0.00 C ATOM 69 O TYR A 5 -3.923 -9.412 6.405 1.00 0.00 O ATOM 70 CB TYR A 5 -5.054 -12.566 7.763 1.00 0.00 C ATOM 71 CG TYR A 5 -4.287 -13.108 6.565 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.637 -12.707 5.265 1.00 0.00 C ATOM 73 CD2 TYR A 5 -3.207 -13.982 6.754 1.00 0.00 C ATOM 74 CE1 TYR A 5 -3.925 -13.173 4.168 1.00 0.00 C ATOM 75 CE2 TYR A 5 -2.484 -14.450 5.646 1.00 0.00 C ATOM 76 CZ TYR A 5 -2.845 -14.044 4.353 1.00 0.00 C ATOM 77 OH TYR A 5 -2.134 -14.503 3.263 1.00 0.00 O ATOM 0 H TYR A 5 -6.775 -11.854 6.366 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.488 -10.523 8.515 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.512 -12.778 8.684 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.023 -13.058 7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.466 -12.031 5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.932 -14.294 7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.204 -12.863 3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.651 -15.122 5.789 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.178 -14.341 3.404 1.00 0.00 H new ATOM 87 N ASP A 6 -2.823 -11.059 7.376 1.00 0.00 N ATOM 88 CA ASP A 6 -1.487 -10.578 6.917 1.00 0.00 C ATOM 89 C ASP A 6 -1.572 -9.837 5.580 1.00 0.00 C ATOM 90 O ASP A 6 -1.182 -8.693 5.468 1.00 0.00 O ATOM 91 CB ASP A 6 -0.689 -11.866 6.730 1.00 0.00 C ATOM 92 CG ASP A 6 -0.106 -12.312 8.072 1.00 0.00 C ATOM 93 OD1 ASP A 6 -0.463 -11.719 9.077 1.00 0.00 O ATOM 94 OD2 ASP A 6 0.687 -13.239 8.072 1.00 0.00 O ATOM 0 H ASP A 6 -2.793 -11.911 7.937 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.046 -9.876 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.332 -12.647 6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.113 -11.707 6.009 1.00 0.00 H new ATOM 99 N VAL A 7 -2.053 -10.496 4.560 1.00 0.00 N ATOM 100 CA VAL A 7 -2.139 -9.850 3.219 1.00 0.00 C ATOM 101 C VAL A 7 -2.849 -8.488 3.306 1.00 0.00 C ATOM 102 O VAL A 7 -2.304 -7.533 3.821 1.00 0.00 O ATOM 103 CB VAL A 7 -2.928 -10.839 2.353 1.00 0.00 C ATOM 104 CG1 VAL A 7 -3.093 -10.285 0.945 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.168 -12.154 2.248 1.00 0.00 C ATOM 0 H VAL A 7 -2.391 -11.458 4.598 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.154 -9.643 2.800 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.903 -10.995 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.655 -10.995 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.631 -9.338 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.111 -10.124 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.733 -12.853 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.193 -11.976 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.032 -12.576 3.244 1.00 0.00 H new ATOM 115 N ILE A 8 -4.046 -8.377 2.798 1.00 0.00 N ATOM 116 CA ILE A 8 -4.749 -7.066 2.843 1.00 0.00 C ATOM 117 C ILE A 8 -5.475 -6.885 4.180 1.00 0.00 C ATOM 118 O ILE A 8 -6.512 -7.472 4.420 1.00 0.00 O ATOM 119 CB ILE A 8 -5.742 -7.126 1.686 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.022 -7.564 0.414 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.337 -5.740 1.455 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.054 -7.995 -0.625 1.00 0.00 C ATOM 0 H ILE A 8 -4.565 -9.135 2.355 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.064 -6.223 2.755 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.531 -7.837 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.417 -6.746 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.342 -8.388 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.047 -5.782 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.851 -5.409 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.540 -5.037 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.544 -8.309 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.640 -8.826 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.716 -7.158 -0.850 1.00 0.00 H new ATOM 134 N LEU A 9 -4.932 -6.076 5.050 1.00 0.00 N ATOM 135 CA LEU A 9 -5.578 -5.853 6.378 1.00 0.00 C ATOM 136 C LEU A 9 -6.805 -4.942 6.246 1.00 0.00 C ATOM 137 O LEU A 9 -7.901 -5.399 5.990 1.00 0.00 O ATOM 138 CB LEU A 9 -4.500 -5.185 7.231 1.00 0.00 C ATOM 139 CG LEU A 9 -3.472 -6.232 7.666 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.267 -5.533 8.299 1.00 0.00 C ATOM 141 CD2 LEU A 9 -4.109 -7.175 8.689 1.00 0.00 C ATOM 0 H LEU A 9 -4.066 -5.558 4.899 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.935 -6.784 6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.011 -4.393 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.951 -4.718 8.106 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.145 -6.803 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.535 -6.279 8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.813 -4.860 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.593 -4.962 9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.378 -7.922 9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.435 -6.603 9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.968 -7.673 8.239 1.00 0.00 H new ATOM 153 N ALA A 10 -6.635 -3.660 6.435 1.00 0.00 N ATOM 154 CA ALA A 10 -7.799 -2.732 6.336 1.00 0.00 C ATOM 155 C ALA A 10 -7.739 -1.917 5.044 1.00 0.00 C ATOM 156 O ALA A 10 -6.687 -1.745 4.461 1.00 0.00 O ATOM 157 CB ALA A 10 -7.670 -1.810 7.548 1.00 0.00 C ATOM 0 H ALA A 10 -5.743 -3.216 6.653 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.746 -3.271 6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.492 -1.094 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.704 -2.403 8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.722 -1.274 7.498 1.00 0.00 H new ATOM 163 N PRO A 11 -8.886 -1.435 4.645 1.00 0.00 N ATOM 164 CA PRO A 11 -8.988 -0.620 3.412 1.00 0.00 C ATOM 165 C PRO A 11 -8.480 0.802 3.668 1.00 0.00 C ATOM 166 O PRO A 11 -8.396 1.250 4.795 1.00 0.00 O ATOM 167 CB PRO A 11 -10.484 -0.606 3.117 1.00 0.00 C ATOM 168 CG PRO A 11 -11.150 -0.838 4.437 1.00 0.00 C ATOM 169 CD PRO A 11 -10.185 -1.611 5.302 1.00 0.00 C ATOM 0 HA PRO A 11 -8.395 -1.016 2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.790 0.346 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.751 -1.383 2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.411 0.110 4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.078 -1.395 4.306 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.170 -1.227 6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.461 -2.664 5.362 1.00 0.00 H new ATOM 177 N VAL A 12 -8.148 1.516 2.628 1.00 0.00 N ATOM 178 CA VAL A 12 -7.654 2.913 2.804 1.00 0.00 C ATOM 179 C VAL A 12 -8.641 3.897 2.169 1.00 0.00 C ATOM 180 O VAL A 12 -8.862 3.883 0.974 1.00 0.00 O ATOM 181 CB VAL A 12 -6.298 2.959 2.089 1.00 0.00 C ATOM 182 CG1 VAL A 12 -6.371 2.168 0.781 1.00 0.00 C ATOM 183 CG2 VAL A 12 -5.926 4.412 1.780 1.00 0.00 C ATOM 0 H VAL A 12 -8.197 1.193 1.662 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.558 3.190 3.854 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.541 2.517 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.404 2.205 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.628 1.131 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.133 2.604 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.962 4.441 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.688 4.854 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.863 4.977 2.710 1.00 0.00 H new ATOM 193 N LEU A 13 -9.238 4.747 2.958 1.00 0.00 N ATOM 194 CA LEU A 13 -10.211 5.727 2.394 1.00 0.00 C ATOM 195 C LEU A 13 -9.541 7.087 2.191 1.00 0.00 C ATOM 196 O LEU A 13 -9.185 7.763 3.136 1.00 0.00 O ATOM 197 CB LEU A 13 -11.327 5.824 3.437 1.00 0.00 C ATOM 198 CG LEU A 13 -12.001 4.459 3.604 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.242 3.825 2.231 1.00 0.00 C ATOM 200 CD2 LEU A 13 -11.099 3.543 4.435 1.00 0.00 C ATOM 0 H LEU A 13 -9.095 4.806 3.966 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.590 5.417 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.918 6.157 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.062 6.567 3.129 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.957 4.592 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.722 2.854 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.887 4.474 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.289 3.695 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.578 2.571 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.143 3.416 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.933 3.988 5.416 1.00 0.00 H new ATOM 212 N SER A 14 -9.367 7.492 0.964 1.00 0.00 N ATOM 213 CA SER A 14 -8.721 8.808 0.694 1.00 0.00 C ATOM 214 C SER A 14 -9.158 9.336 -0.674 1.00 0.00 C ATOM 215 O SER A 14 -9.572 8.585 -1.534 1.00 0.00 O ATOM 216 CB SER A 14 -7.220 8.524 0.703 1.00 0.00 C ATOM 217 OG SER A 14 -7.003 7.129 0.533 1.00 0.00 O ATOM 0 H SER A 14 -9.645 6.968 0.134 1.00 0.00 H new ATOM 0 HA SER A 14 -8.996 9.562 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.729 9.080 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.781 8.860 1.642 1.00 0.00 H new ATOM 0 HG SER A 14 -6.040 6.945 0.537 1.00 0.00 H new ATOM 223 N GLU A 15 -9.071 10.621 -0.884 1.00 0.00 N ATOM 224 CA GLU A 15 -9.484 11.187 -2.200 1.00 0.00 C ATOM 225 C GLU A 15 -8.953 10.312 -3.338 1.00 0.00 C ATOM 226 O GLU A 15 -9.708 9.764 -4.116 1.00 0.00 O ATOM 227 CB GLU A 15 -8.852 12.579 -2.252 1.00 0.00 C ATOM 228 CG GLU A 15 -9.615 13.449 -3.253 1.00 0.00 C ATOM 229 CD GLU A 15 -8.834 13.521 -4.565 1.00 0.00 C ATOM 230 OE1 GLU A 15 -7.616 13.558 -4.507 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.468 13.538 -5.608 1.00 0.00 O ATOM 0 H GLU A 15 -8.733 11.302 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.568 11.230 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.875 13.038 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.804 12.504 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.607 13.033 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.757 14.450 -2.847 1.00 0.00 H new ATOM 238 N LYS A 16 -7.659 10.180 -3.442 1.00 0.00 N ATOM 239 CA LYS A 16 -7.081 9.342 -4.527 1.00 0.00 C ATOM 240 C LYS A 16 -7.677 7.933 -4.484 1.00 0.00 C ATOM 241 O LYS A 16 -7.604 7.189 -5.441 1.00 0.00 O ATOM 242 CB LYS A 16 -5.580 9.301 -4.236 1.00 0.00 C ATOM 243 CG LYS A 16 -4.815 9.911 -5.413 1.00 0.00 C ATOM 244 CD LYS A 16 -3.338 9.524 -5.318 1.00 0.00 C ATOM 245 CE LYS A 16 -3.109 8.201 -6.053 1.00 0.00 C ATOM 246 NZ LYS A 16 -3.143 7.160 -4.989 1.00 0.00 N ATOM 0 H LYS A 16 -6.978 10.617 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.294 9.744 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.361 9.852 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.258 8.272 -4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.234 9.558 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.919 10.996 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.717 10.307 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.043 9.428 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.882 8.026 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.153 8.200 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.317 6.535 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.121 7.617 -4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.014 6.599 -5.080 1.00 0.00 H new ATOM 260 N ALA A 17 -8.270 7.562 -3.382 1.00 0.00 N ATOM 261 CA ALA A 17 -8.873 6.202 -3.279 1.00 0.00 C ATOM 262 C ALA A 17 -10.383 6.280 -3.514 1.00 0.00 C ATOM 263 O ALA A 17 -10.931 5.570 -4.333 1.00 0.00 O ATOM 264 CB ALA A 17 -8.572 5.740 -1.852 1.00 0.00 C ATOM 0 H ALA A 17 -8.363 8.142 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.470 5.512 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.985 4.743 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.493 5.713 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.023 6.434 -1.142 1.00 0.00 H new ATOM 270 N TYR A 18 -11.062 7.140 -2.803 1.00 0.00 N ATOM 271 CA TYR A 18 -12.537 7.260 -2.992 1.00 0.00 C ATOM 272 C TYR A 18 -12.851 7.570 -4.454 1.00 0.00 C ATOM 273 O TYR A 18 -13.556 6.833 -5.115 1.00 0.00 O ATOM 274 CB TYR A 18 -12.965 8.416 -2.089 1.00 0.00 C ATOM 275 CG TYR A 18 -13.328 7.874 -0.729 1.00 0.00 C ATOM 276 CD1 TYR A 18 -14.108 6.716 -0.626 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.883 8.525 0.426 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.442 6.208 0.636 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.216 8.017 1.688 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.995 6.859 1.793 1.00 0.00 C ATOM 281 OH TYR A 18 -14.324 6.358 3.036 1.00 0.00 O ATOM 0 H TYR A 18 -10.661 7.763 -2.102 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.064 6.339 -2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.157 9.143 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.817 8.938 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.452 6.215 -1.519 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.283 9.419 0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.044 5.315 0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.872 8.519 2.580 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.670 5.446 2.940 1.00 0.00 H new ATOM 291 N ALA A 19 -12.325 8.646 -4.970 1.00 0.00 N ATOM 292 CA ALA A 19 -12.588 8.983 -6.394 1.00 0.00 C ATOM 293 C ALA A 19 -11.995 7.891 -7.287 1.00 0.00 C ATOM 294 O ALA A 19 -12.294 7.798 -8.462 1.00 0.00 O ATOM 295 CB ALA A 19 -11.884 10.319 -6.629 1.00 0.00 C ATOM 0 H ALA A 19 -11.727 9.303 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.652 9.052 -6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.034 10.633 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.298 11.071 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.817 10.207 -6.435 1.00 0.00 H new ATOM 301 N GLY A 20 -11.178 7.046 -6.721 1.00 0.00 N ATOM 302 CA GLY A 20 -10.578 5.932 -7.503 1.00 0.00 C ATOM 303 C GLY A 20 -11.567 4.779 -7.462 1.00 0.00 C ATOM 304 O GLY A 20 -11.908 4.197 -8.472 1.00 0.00 O ATOM 0 H GLY A 20 -10.899 7.081 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.388 6.241 -8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.620 5.634 -7.077 1.00 0.00 H new ATOM 308 N PHE A 21 -12.064 4.476 -6.296 1.00 0.00 N ATOM 309 CA PHE A 21 -13.072 3.393 -6.184 1.00 0.00 C ATOM 310 C PHE A 21 -14.122 3.631 -7.260 1.00 0.00 C ATOM 311 O PHE A 21 -14.765 2.724 -7.753 1.00 0.00 O ATOM 312 CB PHE A 21 -13.703 3.579 -4.804 1.00 0.00 C ATOM 313 CG PHE A 21 -12.699 3.293 -3.706 1.00 0.00 C ATOM 314 CD1 PHE A 21 -11.352 3.056 -4.013 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.123 3.275 -2.373 1.00 0.00 C ATOM 316 CE1 PHE A 21 -10.436 2.800 -2.988 1.00 0.00 C ATOM 317 CE2 PHE A 21 -12.205 3.020 -1.348 1.00 0.00 C ATOM 318 CZ PHE A 21 -10.862 2.783 -1.655 1.00 0.00 C ATOM 0 H PHE A 21 -11.815 4.932 -5.418 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.653 2.394 -6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -14.076 4.599 -4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.561 2.915 -4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -11.022 3.071 -5.041 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -14.160 3.458 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.399 2.615 -3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.534 3.006 -0.319 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.153 2.587 -0.864 1.00 0.00 H new ATOM 328 N ALA A 22 -14.290 4.874 -7.608 1.00 0.00 N ATOM 329 CA ALA A 22 -15.285 5.258 -8.638 1.00 0.00 C ATOM 330 C ALA A 22 -15.314 4.223 -9.763 1.00 0.00 C ATOM 331 O ALA A 22 -16.357 3.903 -10.300 1.00 0.00 O ATOM 332 CB ALA A 22 -14.799 6.606 -9.168 1.00 0.00 C ATOM 0 H ALA A 22 -13.767 5.655 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.296 5.314 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.483 6.962 -9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.765 7.327 -8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.802 6.492 -9.593 1.00 0.00 H new ATOM 338 N GLU A 23 -14.175 3.705 -10.130 1.00 0.00 N ATOM 339 CA GLU A 23 -14.134 2.700 -11.227 1.00 0.00 C ATOM 340 C GLU A 23 -14.211 1.282 -10.656 1.00 0.00 C ATOM 341 O GLU A 23 -14.509 0.335 -11.357 1.00 0.00 O ATOM 342 CB GLU A 23 -12.790 2.926 -11.919 1.00 0.00 C ATOM 343 CG GLU A 23 -12.839 2.345 -13.334 1.00 0.00 C ATOM 344 CD GLU A 23 -12.692 3.473 -14.355 1.00 0.00 C ATOM 345 OE1 GLU A 23 -12.976 4.607 -14.002 1.00 0.00 O ATOM 346 OE2 GLU A 23 -12.299 3.187 -15.474 1.00 0.00 O ATOM 0 H GLU A 23 -13.271 3.935 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.973 2.808 -11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.565 3.992 -11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.991 2.453 -11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.041 1.614 -13.466 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.781 1.820 -13.490 1.00 0.00 H new ATOM 353 N GLY A 24 -13.940 1.127 -9.390 1.00 0.00 N ATOM 354 CA GLY A 24 -13.993 -0.219 -8.778 1.00 0.00 C ATOM 355 C GLY A 24 -12.607 -0.598 -8.252 1.00 0.00 C ATOM 356 O GLY A 24 -12.393 -1.694 -7.774 1.00 0.00 O ATOM 0 H GLY A 24 -13.683 1.882 -8.754 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.718 -0.231 -7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.327 -0.951 -9.513 1.00 0.00 H new ATOM 360 N LYS A 25 -11.665 0.304 -8.330 1.00 0.00 N ATOM 361 CA LYS A 25 -10.292 -0.002 -7.830 1.00 0.00 C ATOM 362 C LYS A 25 -10.246 0.191 -6.313 1.00 0.00 C ATOM 363 O LYS A 25 -10.776 1.148 -5.789 1.00 0.00 O ATOM 364 CB LYS A 25 -9.387 1.014 -8.531 1.00 0.00 C ATOM 365 CG LYS A 25 -9.105 0.549 -9.961 1.00 0.00 C ATOM 366 CD LYS A 25 -7.615 0.232 -10.112 1.00 0.00 C ATOM 367 CE LYS A 25 -7.184 0.484 -11.559 1.00 0.00 C ATOM 368 NZ LYS A 25 -6.722 -0.842 -12.058 1.00 0.00 N ATOM 0 H LYS A 25 -11.786 1.239 -8.718 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.984 -1.027 -8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.865 1.994 -8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.452 1.123 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.700 -0.334 -10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.396 1.324 -10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.030 0.853 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.424 -0.806 -9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.012 0.865 -12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.386 1.225 -11.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.410 -0.752 -13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.929 -1.176 -11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.504 -1.525 -12.003 1.00 0.00 H new ATOM 382 N TYR A 26 -9.640 -0.719 -5.597 1.00 0.00 N ATOM 383 CA TYR A 26 -9.602 -0.572 -4.113 1.00 0.00 C ATOM 384 C TYR A 26 -8.179 -0.666 -3.560 1.00 0.00 C ATOM 385 O TYR A 26 -7.568 -1.717 -3.544 1.00 0.00 O ATOM 386 CB TYR A 26 -10.465 -1.718 -3.586 1.00 0.00 C ATOM 387 CG TYR A 26 -11.840 -1.625 -4.201 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.474 -0.382 -4.312 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.483 -2.781 -4.660 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.749 -0.294 -4.882 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.757 -2.693 -5.232 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.391 -1.449 -5.343 1.00 0.00 C ATOM 393 OH TYR A 26 -15.648 -1.363 -5.904 1.00 0.00 O ATOM 0 H TYR A 26 -9.175 -1.547 -5.969 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.968 0.407 -3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.008 -2.677 -3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.535 -1.667 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.979 0.510 -3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.996 -3.741 -4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.238 0.665 -4.966 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.252 -3.585 -5.588 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.656 -1.836 -6.762 1.00 0.00 H new ATOM 403 N THR A 27 -7.673 0.431 -3.069 1.00 0.00 N ATOM 404 CA THR A 27 -6.319 0.448 -2.470 1.00 0.00 C ATOM 405 C THR A 27 -6.408 -0.151 -1.069 1.00 0.00 C ATOM 406 O THR A 27 -7.360 0.081 -0.349 1.00 0.00 O ATOM 407 CB THR A 27 -5.935 1.927 -2.402 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.134 2.526 -3.674 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.465 2.056 -1.999 1.00 0.00 C ATOM 0 H THR A 27 -8.154 1.331 -3.060 1.00 0.00 H new ATOM 0 HA THR A 27 -5.585 -0.125 -3.037 1.00 0.00 H new ATOM 0 HB THR A 27 -6.558 2.431 -1.662 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.890 3.474 -3.631 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.192 3.110 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.314 1.597 -1.022 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.840 1.553 -2.737 1.00 0.00 H new ATOM 417 N PHE A 28 -5.452 -0.932 -0.681 1.00 0.00 N ATOM 418 CA PHE A 28 -5.522 -1.553 0.669 1.00 0.00 C ATOM 419 C PHE A 28 -4.169 -1.511 1.370 1.00 0.00 C ATOM 420 O PHE A 28 -3.140 -1.325 0.755 1.00 0.00 O ATOM 421 CB PHE A 28 -5.937 -3.000 0.414 1.00 0.00 C ATOM 422 CG PHE A 28 -7.368 -3.179 0.846 1.00 0.00 C ATOM 423 CD1 PHE A 28 -7.662 -3.414 2.192 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.397 -3.096 -0.096 1.00 0.00 C ATOM 425 CE1 PHE A 28 -8.992 -3.571 2.599 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.728 -3.249 0.310 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.025 -3.486 1.657 1.00 0.00 C ATOM 0 H PHE A 28 -4.627 -1.170 -1.232 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.220 -1.023 1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.829 -3.243 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.289 -3.681 0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.864 -3.474 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.166 -2.914 -1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.221 -3.757 3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.525 -3.184 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.052 -3.603 1.970 1.00 0.00 H new ATOM 437 N TRP A 29 -4.170 -1.730 2.653 1.00 0.00 N ATOM 438 CA TRP A 29 -2.898 -1.757 3.410 1.00 0.00 C ATOM 439 C TRP A 29 -2.545 -3.219 3.581 1.00 0.00 C ATOM 440 O TRP A 29 -3.341 -3.998 4.066 1.00 0.00 O ATOM 441 CB TRP A 29 -3.206 -1.102 4.757 1.00 0.00 C ATOM 442 CG TRP A 29 -3.222 0.384 4.595 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.323 1.164 4.690 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.109 1.278 4.313 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.956 2.482 4.484 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.600 2.603 4.248 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.732 1.071 4.110 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.756 3.685 3.991 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.120 2.155 3.851 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.390 3.460 3.792 1.00 0.00 C ATOM 0 H TRP A 29 -5.008 -1.893 3.212 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.070 -1.238 2.927 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.170 -1.448 5.130 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.456 -1.390 5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.325 0.815 4.893 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.606 3.268 4.504 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.328 0.070 4.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.155 4.688 3.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.175 1.983 3.696 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.271 4.290 3.593 1.00 0.00 H new ATOM 461 N VAL A 30 -1.407 -3.630 3.134 1.00 0.00 N ATOM 462 CA VAL A 30 -1.101 -5.064 3.229 1.00 0.00 C ATOM 463 C VAL A 30 0.372 -5.309 3.525 1.00 0.00 C ATOM 464 O VAL A 30 1.226 -4.484 3.273 1.00 0.00 O ATOM 465 CB VAL A 30 -1.512 -5.575 1.855 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.904 -4.693 0.762 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.054 -6.997 1.658 1.00 0.00 C ATOM 0 H VAL A 30 -0.686 -3.045 2.713 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.618 -5.570 4.045 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.600 -5.539 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.204 -5.067 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.257 -3.669 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.183 -4.714 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.358 -7.343 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.032 -7.044 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.504 -7.633 2.420 1.00 0.00 H new ATOM 477 N HIS A 31 0.656 -6.447 4.079 1.00 0.00 N ATOM 478 CA HIS A 31 2.062 -6.792 4.433 1.00 0.00 C ATOM 479 C HIS A 31 2.939 -6.849 3.180 1.00 0.00 C ATOM 480 O HIS A 31 2.467 -7.143 2.100 1.00 0.00 O ATOM 481 CB HIS A 31 1.974 -8.171 5.087 1.00 0.00 C ATOM 482 CG HIS A 31 2.852 -8.205 6.308 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.768 -9.220 6.533 1.00 0.00 N ATOM 484 CD2 HIS A 31 2.965 -7.355 7.380 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.386 -8.959 7.700 1.00 0.00 C ATOM 486 NE2 HIS A 31 3.933 -7.833 8.257 1.00 0.00 N ATOM 0 H HIS A 31 -0.032 -7.165 4.306 1.00 0.00 H new ATOM 0 HA HIS A 31 2.511 -6.049 5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.942 -8.389 5.362 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.285 -8.941 4.381 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.390 -6.452 7.521 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.154 -9.583 8.133 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.233 -7.413 9.137 1.00 0.00 H new ATOM 494 N PRO A 32 4.198 -6.568 3.378 1.00 0.00 N ATOM 495 CA PRO A 32 5.172 -6.589 2.261 1.00 0.00 C ATOM 496 C PRO A 32 5.474 -8.030 1.857 1.00 0.00 C ATOM 497 O PRO A 32 6.544 -8.547 2.113 1.00 0.00 O ATOM 498 CB PRO A 32 6.408 -5.927 2.853 1.00 0.00 C ATOM 499 CG PRO A 32 6.295 -6.140 4.329 1.00 0.00 C ATOM 500 CD PRO A 32 4.825 -6.209 4.653 1.00 0.00 C ATOM 0 HA PRO A 32 4.812 -6.084 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.321 -6.373 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.441 -4.865 2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.799 -7.060 4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.772 -5.325 4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.620 -6.954 5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.453 -5.255 5.026 1.00 0.00 H new ATOM 508 N LYS A 33 4.535 -8.687 1.245 1.00 0.00 N ATOM 509 CA LYS A 33 4.762 -10.102 0.843 1.00 0.00 C ATOM 510 C LYS A 33 3.514 -10.659 0.160 1.00 0.00 C ATOM 511 O LYS A 33 3.601 -11.468 -0.742 1.00 0.00 O ATOM 512 CB LYS A 33 5.029 -10.845 2.155 1.00 0.00 C ATOM 513 CG LYS A 33 4.063 -10.351 3.238 1.00 0.00 C ATOM 514 CD LYS A 33 3.217 -11.523 3.740 1.00 0.00 C ATOM 515 CE LYS A 33 2.215 -11.930 2.658 1.00 0.00 C ATOM 516 NZ LYS A 33 1.492 -13.102 3.226 1.00 0.00 N ATOM 0 H LYS A 33 3.619 -8.308 1.005 1.00 0.00 H new ATOM 0 HA LYS A 33 5.587 -10.207 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.906 -11.918 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.059 -10.683 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.621 -9.911 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.418 -9.569 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.859 -12.367 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.690 -11.241 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.528 -11.115 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.721 -12.191 1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.786 -13.439 2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.170 -13.864 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.014 -12.822 4.106 1.00 0.00 H new ATOM 530 N ALA A 34 2.356 -10.236 0.587 1.00 0.00 N ATOM 531 CA ALA A 34 1.101 -10.742 -0.036 1.00 0.00 C ATOM 532 C ALA A 34 1.244 -10.757 -1.561 1.00 0.00 C ATOM 533 O ALA A 34 0.986 -9.773 -2.226 1.00 0.00 O ATOM 534 CB ALA A 34 0.019 -9.749 0.385 1.00 0.00 C ATOM 0 H ALA A 34 2.225 -9.561 1.341 1.00 0.00 H new ATOM 0 HA ALA A 34 0.865 -11.759 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.939 -10.054 -0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.053 -9.729 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.276 -8.755 0.020 1.00 0.00 H new ATOM 540 N THR A 35 1.664 -11.858 -2.120 1.00 0.00 N ATOM 541 CA THR A 35 1.834 -11.926 -3.599 1.00 0.00 C ATOM 542 C THR A 35 0.652 -11.253 -4.302 1.00 0.00 C ATOM 543 O THR A 35 -0.474 -11.329 -3.853 1.00 0.00 O ATOM 544 CB THR A 35 1.877 -13.420 -3.926 1.00 0.00 C ATOM 545 OG1 THR A 35 1.325 -14.157 -2.845 1.00 0.00 O ATOM 546 CG2 THR A 35 3.327 -13.849 -4.148 1.00 0.00 C ATOM 0 H THR A 35 1.897 -12.714 -1.617 1.00 0.00 H new ATOM 0 HA THR A 35 2.734 -11.411 -3.934 1.00 0.00 H new ATOM 0 HB THR A 35 1.298 -13.612 -4.829 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.351 -15.114 -3.055 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.360 -14.913 -4.381 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.751 -13.283 -4.977 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.906 -13.657 -3.244 1.00 0.00 H new ATOM 554 N LYS A 36 0.902 -10.594 -5.403 1.00 0.00 N ATOM 555 CA LYS A 36 -0.207 -9.917 -6.134 1.00 0.00 C ATOM 556 C LYS A 36 -1.435 -10.828 -6.177 1.00 0.00 C ATOM 557 O LYS A 36 -2.521 -10.438 -5.797 1.00 0.00 O ATOM 558 CB LYS A 36 0.334 -9.674 -7.544 1.00 0.00 C ATOM 559 CG LYS A 36 1.037 -8.316 -7.594 1.00 0.00 C ATOM 560 CD LYS A 36 0.297 -7.394 -8.565 1.00 0.00 C ATOM 561 CE LYS A 36 0.532 -5.934 -8.169 1.00 0.00 C ATOM 562 NZ LYS A 36 1.082 -5.288 -9.393 1.00 0.00 N ATOM 0 H LYS A 36 1.825 -10.496 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.514 -8.988 -5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.030 -10.466 -7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.481 -9.700 -8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.061 -7.870 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.072 -8.442 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.647 -7.566 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.770 -7.617 -8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.395 -5.456 -7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.230 -5.858 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.269 -4.283 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.968 -5.759 -9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.393 -5.370 -10.168 1.00 0.00 H new ATOM 576 N THR A 37 -1.271 -12.041 -6.629 1.00 0.00 N ATOM 577 CA THR A 37 -2.430 -12.974 -6.681 1.00 0.00 C ATOM 578 C THR A 37 -2.954 -13.224 -5.266 1.00 0.00 C ATOM 579 O THR A 37 -4.142 -13.347 -5.044 1.00 0.00 O ATOM 580 CB THR A 37 -1.880 -14.252 -7.300 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.830 -14.110 -8.712 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.774 -15.442 -6.936 1.00 0.00 C ATOM 0 H THR A 37 -0.387 -12.425 -6.963 1.00 0.00 H new ATOM 0 HA THR A 37 -3.265 -12.580 -7.261 1.00 0.00 H new ATOM 0 HB THR A 37 -0.877 -14.431 -6.914 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.475 -14.931 -9.111 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.371 -16.350 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.806 -15.555 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.782 -15.268 -7.312 1.00 0.00 H new ATOM 590 N GLU A 38 -2.075 -13.293 -4.302 1.00 0.00 N ATOM 591 CA GLU A 38 -2.524 -13.524 -2.902 1.00 0.00 C ATOM 592 C GLU A 38 -3.524 -12.441 -2.500 1.00 0.00 C ATOM 593 O GLU A 38 -4.552 -12.714 -1.914 1.00 0.00 O ATOM 594 CB GLU A 38 -1.258 -13.428 -2.052 1.00 0.00 C ATOM 595 CG GLU A 38 -0.902 -14.812 -1.505 1.00 0.00 C ATOM 596 CD GLU A 38 -1.749 -15.104 -0.266 1.00 0.00 C ATOM 597 OE1 GLU A 38 -2.887 -15.512 -0.433 1.00 0.00 O ATOM 598 OE2 GLU A 38 -1.248 -14.915 0.830 1.00 0.00 O ATOM 0 H GLU A 38 -1.067 -13.199 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.018 -14.487 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.434 -13.039 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.412 -12.729 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.078 -15.572 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.158 -14.853 -1.252 1.00 0.00 H new ATOM 605 N ILE A 39 -3.235 -11.210 -2.826 1.00 0.00 N ATOM 606 CA ILE A 39 -4.176 -10.111 -2.477 1.00 0.00 C ATOM 607 C ILE A 39 -5.540 -10.411 -3.105 1.00 0.00 C ATOM 608 O ILE A 39 -6.576 -10.088 -2.559 1.00 0.00 O ATOM 609 CB ILE A 39 -3.536 -8.846 -3.073 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.607 -8.216 -2.033 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.612 -7.827 -3.471 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.371 -7.645 -2.727 1.00 0.00 C ATOM 0 H ILE A 39 -2.390 -10.920 -3.318 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.340 -9.995 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.973 -9.125 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.131 -7.427 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.310 -8.963 -1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.136 -6.940 -3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.275 -8.269 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.191 -7.546 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.711 -7.197 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.843 -8.445 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.676 -6.885 -3.447 1.00 0.00 H new ATOM 624 N LYS A 40 -5.543 -11.046 -4.242 1.00 0.00 N ATOM 625 CA LYS A 40 -6.834 -11.387 -4.900 1.00 0.00 C ATOM 626 C LYS A 40 -7.667 -12.267 -3.970 1.00 0.00 C ATOM 627 O LYS A 40 -8.849 -12.061 -3.789 1.00 0.00 O ATOM 628 CB LYS A 40 -6.437 -12.171 -6.151 1.00 0.00 C ATOM 629 CG LYS A 40 -7.661 -12.349 -7.050 1.00 0.00 C ATOM 630 CD LYS A 40 -7.234 -12.967 -8.382 1.00 0.00 C ATOM 631 CE LYS A 40 -6.654 -11.877 -9.288 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.532 -11.869 -10.491 1.00 0.00 N ATOM 0 H LYS A 40 -4.707 -11.344 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.430 -10.506 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.650 -11.643 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.034 -13.144 -5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.395 -12.988 -6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.142 -11.386 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.491 -13.747 -8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.088 -13.441 -8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.657 -10.907 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.620 -12.095 -9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.066 -11.343 -11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.708 -12.847 -10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.437 -11.412 -10.258 1.00 0.00 H new ATOM 646 N ASN A 41 -7.048 -13.256 -3.388 1.00 0.00 N ATOM 647 CA ASN A 41 -7.782 -14.174 -2.472 1.00 0.00 C ATOM 648 C ASN A 41 -8.128 -13.477 -1.151 1.00 0.00 C ATOM 649 O ASN A 41 -9.148 -13.748 -0.553 1.00 0.00 O ATOM 650 CB ASN A 41 -6.819 -15.335 -2.223 1.00 0.00 C ATOM 651 CG ASN A 41 -6.841 -16.283 -3.424 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.212 -17.433 -3.297 1.00 0.00 O ATOM 653 ND2 ASN A 41 -6.456 -15.847 -4.592 1.00 0.00 N ATOM 0 H ASN A 41 -6.058 -13.469 -3.508 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.727 -14.502 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.809 -14.956 -2.064 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.105 -15.871 -1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.467 -16.472 -5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.145 -14.882 -4.699 1.00 0.00 H new ATOM 660 N ALA A 42 -7.288 -12.594 -0.677 1.00 0.00 N ATOM 661 CA ALA A 42 -7.593 -11.918 0.618 1.00 0.00 C ATOM 662 C ALA A 42 -8.945 -11.199 0.543 1.00 0.00 C ATOM 663 O ALA A 42 -9.790 -11.364 1.399 1.00 0.00 O ATOM 664 CB ALA A 42 -6.452 -10.921 0.846 1.00 0.00 C ATOM 0 H ALA A 42 -6.415 -12.315 -1.124 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.665 -12.631 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.615 -10.389 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.504 -11.457 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.424 -10.206 0.024 1.00 0.00 H new ATOM 670 N VAL A 43 -9.164 -10.407 -0.470 1.00 0.00 N ATOM 671 CA VAL A 43 -10.475 -9.691 -0.581 1.00 0.00 C ATOM 672 C VAL A 43 -11.575 -10.648 -1.054 1.00 0.00 C ATOM 673 O VAL A 43 -12.720 -10.530 -0.665 1.00 0.00 O ATOM 674 CB VAL A 43 -10.272 -8.571 -1.607 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.520 -7.413 -0.952 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.476 -9.086 -2.811 1.00 0.00 C ATOM 0 H VAL A 43 -8.500 -10.223 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.785 -9.294 0.386 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.247 -8.228 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.375 -6.615 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.098 -7.034 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.550 -7.763 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.341 -8.278 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.501 -9.442 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.019 -9.905 -3.283 1.00 0.00 H new ATOM 686 N GLU A 44 -11.243 -11.592 -1.892 1.00 0.00 N ATOM 687 CA GLU A 44 -12.281 -12.544 -2.385 1.00 0.00 C ATOM 688 C GLU A 44 -12.887 -13.325 -1.215 1.00 0.00 C ATOM 689 O GLU A 44 -14.034 -13.724 -1.251 1.00 0.00 O ATOM 690 CB GLU A 44 -11.540 -13.485 -3.336 1.00 0.00 C ATOM 691 CG GLU A 44 -12.053 -13.273 -4.764 1.00 0.00 C ATOM 692 CD GLU A 44 -13.169 -14.277 -5.059 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.274 -14.059 -4.588 1.00 0.00 O ATOM 694 OE2 GLU A 44 -12.901 -15.245 -5.752 1.00 0.00 O ATOM 0 H GLU A 44 -10.303 -11.746 -2.256 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.105 -12.032 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.468 -13.295 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.693 -14.521 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.425 -12.255 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.238 -13.399 -5.477 1.00 0.00 H new ATOM 701 N THR A 45 -12.126 -13.547 -0.177 1.00 0.00 N ATOM 702 CA THR A 45 -12.664 -14.302 0.992 1.00 0.00 C ATOM 703 C THR A 45 -13.543 -13.391 1.852 1.00 0.00 C ATOM 704 O THR A 45 -14.628 -13.759 2.258 1.00 0.00 O ATOM 705 CB THR A 45 -11.432 -14.742 1.786 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.817 -13.600 2.362 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.437 -15.442 0.861 1.00 0.00 C ATOM 0 H THR A 45 -11.158 -13.239 -0.088 1.00 0.00 H new ATOM 0 HA THR A 45 -13.278 -15.148 0.683 1.00 0.00 H new ATOM 0 HB THR A 45 -11.737 -15.435 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.437 -13.041 1.653 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.563 -15.752 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.908 -16.318 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.129 -14.756 0.072 1.00 0.00 H new ATOM 715 N ALA A 46 -13.078 -12.206 2.141 1.00 0.00 N ATOM 716 CA ALA A 46 -13.879 -11.273 2.986 1.00 0.00 C ATOM 717 C ALA A 46 -14.836 -10.447 2.123 1.00 0.00 C ATOM 718 O ALA A 46 -16.029 -10.426 2.351 1.00 0.00 O ATOM 719 CB ALA A 46 -12.846 -10.367 3.656 1.00 0.00 C ATOM 0 H ALA A 46 -12.177 -11.843 1.829 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.495 -11.805 3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.355 -9.648 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.166 -10.972 4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.280 -9.834 2.892 1.00 0.00 H new ATOM 725 N PHE A 47 -14.327 -9.762 1.136 1.00 0.00 N ATOM 726 CA PHE A 47 -15.214 -8.936 0.270 1.00 0.00 C ATOM 727 C PHE A 47 -16.069 -9.840 -0.624 1.00 0.00 C ATOM 728 O PHE A 47 -17.043 -9.412 -1.211 1.00 0.00 O ATOM 729 CB PHE A 47 -14.261 -8.077 -0.566 1.00 0.00 C ATOM 730 CG PHE A 47 -13.315 -7.324 0.348 1.00 0.00 C ATOM 731 CD1 PHE A 47 -13.545 -7.285 1.732 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.204 -6.664 -0.190 1.00 0.00 C ATOM 733 CE1 PHE A 47 -12.667 -6.591 2.571 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.326 -5.969 0.651 1.00 0.00 C ATOM 735 CZ PHE A 47 -11.557 -5.933 2.031 1.00 0.00 C ATOM 0 H PHE A 47 -13.337 -9.739 0.892 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.907 -8.323 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.695 -8.707 -1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.829 -7.374 -1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.402 -7.792 2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.024 -6.691 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.846 -6.563 3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.469 -5.460 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.879 -5.397 2.679 1.00 0.00 H new ATOM 745 N LYS A 48 -15.708 -11.090 -0.723 1.00 0.00 N ATOM 746 CA LYS A 48 -16.491 -12.036 -1.569 1.00 0.00 C ATOM 747 C LYS A 48 -16.875 -11.369 -2.885 1.00 0.00 C ATOM 748 O LYS A 48 -18.008 -11.430 -3.321 1.00 0.00 O ATOM 749 CB LYS A 48 -17.735 -12.373 -0.748 1.00 0.00 C ATOM 750 CG LYS A 48 -17.314 -13.013 0.577 1.00 0.00 C ATOM 751 CD LYS A 48 -18.531 -13.142 1.494 1.00 0.00 C ATOM 752 CE LYS A 48 -18.424 -14.433 2.308 1.00 0.00 C ATOM 753 NZ LYS A 48 -19.030 -15.484 1.444 1.00 0.00 N ATOM 0 H LYS A 48 -14.901 -11.499 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.923 -12.931 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.315 -11.470 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.378 -13.054 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.877 -13.995 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.546 -12.407 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.589 -12.283 2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.446 -13.148 0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.386 -14.666 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.955 -14.347 3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.994 -16.400 1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.020 -15.239 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.500 -15.548 0.552 1.00 0.00 H new ATOM 767 N VAL A 49 -15.937 -10.732 -3.517 1.00 0.00 N ATOM 768 CA VAL A 49 -16.229 -10.054 -4.801 1.00 0.00 C ATOM 769 C VAL A 49 -15.412 -10.692 -5.928 1.00 0.00 C ATOM 770 O VAL A 49 -14.874 -11.772 -5.787 1.00 0.00 O ATOM 771 CB VAL A 49 -15.827 -8.590 -4.553 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.484 -8.252 -5.216 1.00 0.00 C ATOM 773 CG2 VAL A 49 -16.914 -7.679 -5.100 1.00 0.00 C ATOM 0 H VAL A 49 -14.972 -10.652 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.272 -10.135 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.712 -8.441 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.233 -7.210 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.705 -8.896 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.559 -8.410 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.637 -6.639 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.029 -7.852 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.856 -7.892 -4.594 1.00 0.00 H new ATOM 783 N LYS A 50 -15.307 -10.022 -7.037 1.00 0.00 N ATOM 784 CA LYS A 50 -14.513 -10.579 -8.167 1.00 0.00 C ATOM 785 C LYS A 50 -13.343 -9.648 -8.483 1.00 0.00 C ATOM 786 O LYS A 50 -13.522 -8.555 -8.981 1.00 0.00 O ATOM 787 CB LYS A 50 -15.476 -10.655 -9.351 1.00 0.00 C ATOM 788 CG LYS A 50 -15.030 -11.784 -10.280 1.00 0.00 C ATOM 789 CD LYS A 50 -13.841 -11.313 -11.119 1.00 0.00 C ATOM 790 CE LYS A 50 -13.716 -12.191 -12.367 1.00 0.00 C ATOM 791 NZ LYS A 50 -15.016 -12.040 -13.076 1.00 0.00 N ATOM 0 H LYS A 50 -15.735 -9.113 -7.212 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.096 -11.558 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.492 -10.835 -9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.488 -9.707 -9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.752 -12.662 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.853 -12.081 -10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.976 -10.270 -11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.924 -11.365 -10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.885 -11.869 -12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.530 -13.231 -12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.851 -12.015 -14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.633 -12.844 -12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.473 -11.155 -12.778 1.00 0.00 H new ATOM 805 N VAL A 51 -12.146 -10.074 -8.195 1.00 0.00 N ATOM 806 CA VAL A 51 -10.965 -9.214 -8.476 1.00 0.00 C ATOM 807 C VAL A 51 -10.613 -9.277 -9.961 1.00 0.00 C ATOM 808 O VAL A 51 -10.311 -10.327 -10.495 1.00 0.00 O ATOM 809 CB VAL A 51 -9.842 -9.810 -7.632 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.497 -9.259 -8.110 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.054 -9.434 -6.164 1.00 0.00 C ATOM 0 H VAL A 51 -11.935 -10.980 -7.777 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.144 -8.166 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.847 -10.895 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.695 -9.684 -7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.346 -9.526 -9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.491 -8.174 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.252 -9.859 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.049 -8.349 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.012 -9.826 -5.823 1.00 0.00 H new ATOM 821 N VAL A 52 -10.648 -8.161 -10.633 1.00 0.00 N ATOM 822 CA VAL A 52 -10.315 -8.158 -12.083 1.00 0.00 C ATOM 823 C VAL A 52 -8.977 -7.451 -12.312 1.00 0.00 C ATOM 824 O VAL A 52 -8.567 -7.222 -13.433 1.00 0.00 O ATOM 825 CB VAL A 52 -11.458 -7.390 -12.748 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.423 -5.926 -12.325 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.304 -7.462 -14.259 1.00 0.00 C ATOM 0 H VAL A 52 -10.893 -7.252 -10.241 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.214 -9.164 -12.491 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.404 -7.836 -12.443 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.241 -5.389 -12.805 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.529 -5.857 -11.242 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.473 -5.483 -12.625 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.118 -6.915 -14.734 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.351 -7.019 -14.549 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.332 -8.504 -14.578 1.00 0.00 H new ATOM 837 N LYS A 53 -8.294 -7.107 -11.256 1.00 0.00 N ATOM 838 CA LYS A 53 -6.981 -6.417 -11.403 1.00 0.00 C ATOM 839 C LYS A 53 -6.509 -5.897 -10.045 1.00 0.00 C ATOM 840 O LYS A 53 -7.161 -5.083 -9.420 1.00 0.00 O ATOM 841 CB LYS A 53 -7.244 -5.250 -12.355 1.00 0.00 C ATOM 842 CG LYS A 53 -6.575 -5.529 -13.701 1.00 0.00 C ATOM 843 CD LYS A 53 -5.881 -4.260 -14.198 1.00 0.00 C ATOM 844 CE LYS A 53 -5.473 -4.440 -15.661 1.00 0.00 C ATOM 845 NZ LYS A 53 -6.224 -3.388 -16.402 1.00 0.00 N ATOM 0 H LYS A 53 -8.589 -7.274 -10.294 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.206 -7.084 -11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.317 -5.113 -12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.856 -4.325 -11.929 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.850 -6.336 -13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.318 -5.858 -14.427 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.549 -3.405 -14.099 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.002 -4.051 -13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.397 -4.321 -15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.728 -5.436 -16.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.996 -3.447 -17.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.245 -3.531 -16.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.955 -2.450 -16.041 1.00 0.00 H new ATOM 859 N VAL A 54 -5.381 -6.357 -9.580 1.00 0.00 N ATOM 860 CA VAL A 54 -4.875 -5.881 -8.262 1.00 0.00 C ATOM 861 C VAL A 54 -3.495 -5.237 -8.430 1.00 0.00 C ATOM 862 O VAL A 54 -2.552 -5.868 -8.866 1.00 0.00 O ATOM 863 CB VAL A 54 -4.811 -7.141 -7.376 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.523 -7.161 -6.542 1.00 0.00 C ATOM 865 CG2 VAL A 54 -6.007 -7.140 -6.425 1.00 0.00 C ATOM 0 H VAL A 54 -4.789 -7.040 -10.054 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.515 -5.120 -7.816 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.827 -8.019 -8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.502 -8.060 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.659 -7.157 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.491 -6.280 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.971 -8.028 -5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.973 -6.248 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.931 -7.143 -7.003 1.00 0.00 H new ATOM 875 N ASN A 55 -3.368 -3.994 -8.067 1.00 0.00 N ATOM 876 CA ASN A 55 -2.048 -3.320 -8.183 1.00 0.00 C ATOM 877 C ASN A 55 -1.618 -2.818 -6.809 1.00 0.00 C ATOM 878 O ASN A 55 -2.256 -1.970 -6.221 1.00 0.00 O ATOM 879 CB ASN A 55 -2.271 -2.154 -9.145 1.00 0.00 C ATOM 880 CG ASN A 55 -1.435 -2.364 -10.409 1.00 0.00 C ATOM 881 OD1 ASN A 55 -0.223 -2.430 -10.345 1.00 0.00 O ATOM 882 ND2 ASN A 55 -2.034 -2.470 -11.563 1.00 0.00 N ATOM 0 H ASN A 55 -4.121 -3.415 -7.695 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.265 -3.985 -8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.327 -2.080 -9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.994 -1.215 -8.665 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.485 -2.608 -12.412 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.051 -2.415 -11.617 1.00 0.00 H new ATOM 889 N THR A 56 -0.546 -3.338 -6.285 1.00 0.00 N ATOM 890 CA THR A 56 -0.094 -2.892 -4.940 1.00 0.00 C ATOM 891 C THR A 56 1.272 -2.213 -5.030 1.00 0.00 C ATOM 892 O THR A 56 2.078 -2.516 -5.886 1.00 0.00 O ATOM 893 CB THR A 56 -0.017 -4.154 -4.048 1.00 0.00 C ATOM 894 OG1 THR A 56 1.259 -4.210 -3.426 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.233 -5.433 -4.865 1.00 0.00 C ATOM 0 H THR A 56 0.035 -4.050 -6.728 1.00 0.00 H new ATOM 0 HA THR A 56 -0.788 -2.164 -4.520 1.00 0.00 H new ATOM 0 HB THR A 56 -0.806 -4.089 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.940 -4.428 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.172 -6.300 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.216 -5.403 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.535 -5.507 -5.635 1.00 0.00 H new ATOM 903 N LEU A 57 1.533 -1.291 -4.144 1.00 0.00 N ATOM 904 CA LEU A 57 2.842 -0.581 -4.160 1.00 0.00 C ATOM 905 C LEU A 57 3.323 -0.348 -2.725 1.00 0.00 C ATOM 906 O LEU A 57 2.537 -0.292 -1.800 1.00 0.00 O ATOM 907 CB LEU A 57 2.558 0.751 -4.858 1.00 0.00 C ATOM 908 CG LEU A 57 1.539 1.548 -4.043 1.00 0.00 C ATOM 909 CD1 LEU A 57 2.217 2.780 -3.441 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.394 1.994 -4.955 1.00 0.00 C ATOM 0 H LEU A 57 0.892 -0.998 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 57 3.621 -1.147 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.481 1.322 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.176 0.573 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 57 1.146 0.921 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.490 3.348 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.034 2.465 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.611 3.406 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.333 2.562 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.789 2.620 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.091 1.118 -5.386 1.00 0.00 H new ATOM 922 N HIS A 58 4.606 -0.214 -2.529 1.00 0.00 N ATOM 923 CA HIS A 58 5.124 0.011 -1.148 1.00 0.00 C ATOM 924 C HIS A 58 4.685 1.382 -0.630 1.00 0.00 C ATOM 925 O HIS A 58 4.776 2.379 -1.318 1.00 0.00 O ATOM 926 CB HIS A 58 6.646 -0.057 -1.277 1.00 0.00 C ATOM 927 CG HIS A 58 7.154 -1.265 -0.538 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.420 -1.785 -0.751 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.575 -2.066 0.415 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.562 -2.852 0.057 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.466 -3.068 0.789 1.00 0.00 N ATOM 0 H HIS A 58 5.316 -0.250 -3.261 1.00 0.00 H new ATOM 0 HA HIS A 58 4.744 -0.727 -0.441 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.931 -0.112 -2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.098 0.848 -0.871 1.00 0.00 H new ATOM 0 HD1 HIS A 58 9.118 -1.425 -1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.580 -1.938 0.814 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.454 -3.459 0.107 1.00 0.00 H new ATOM 939 N VAL A 59 4.206 1.435 0.583 1.00 0.00 N ATOM 940 CA VAL A 59 3.753 2.737 1.159 1.00 0.00 C ATOM 941 C VAL A 59 4.561 3.065 2.417 1.00 0.00 C ATOM 942 O VAL A 59 4.746 2.233 3.282 1.00 0.00 O ATOM 943 CB VAL A 59 2.267 2.561 1.518 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.401 3.223 0.447 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.895 1.074 1.617 1.00 0.00 C ATOM 0 H VAL A 59 4.108 0.631 1.203 1.00 0.00 H new ATOM 0 HA VAL A 59 3.895 3.553 0.451 1.00 0.00 H new ATOM 0 HB VAL A 59 2.092 3.029 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.349 3.098 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.638 4.286 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.598 2.758 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.839 0.979 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.082 0.588 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.499 0.599 2.390 1.00 0.00 H new ATOM 955 N ARG A 60 5.039 4.275 2.527 1.00 0.00 N ATOM 956 CA ARG A 60 5.831 4.658 3.732 1.00 0.00 C ATOM 957 C ARG A 60 5.129 5.792 4.485 1.00 0.00 C ATOM 958 O ARG A 60 4.416 6.587 3.907 1.00 0.00 O ATOM 959 CB ARG A 60 7.179 5.130 3.188 1.00 0.00 C ATOM 960 CG ARG A 60 7.722 4.095 2.201 1.00 0.00 C ATOM 961 CD ARG A 60 7.807 2.729 2.887 1.00 0.00 C ATOM 962 NE ARG A 60 8.289 1.797 1.831 1.00 0.00 N ATOM 963 CZ ARG A 60 8.540 0.551 2.126 1.00 0.00 C ATOM 964 NH1 ARG A 60 7.564 -0.314 2.187 1.00 0.00 N ATOM 965 NH2 ARG A 60 9.766 0.169 2.359 1.00 0.00 N ATOM 0 H ARG A 60 4.916 5.015 1.835 1.00 0.00 H new ATOM 0 HA ARG A 60 5.943 3.831 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.066 6.095 2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.884 5.272 4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.073 4.035 1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.707 4.397 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.493 2.755 3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.836 2.420 3.273 1.00 0.00 H new ATOM 0 HE ARG A 60 8.423 2.132 0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.606 -0.016 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.760 -1.288 2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.529 0.845 2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.962 -0.805 2.590 1.00 0.00 H new ATOM 979 N GLY A 61 5.328 5.873 5.773 1.00 0.00 N ATOM 980 CA GLY A 61 4.672 6.956 6.560 1.00 0.00 C ATOM 981 C GLY A 61 4.843 8.291 5.832 1.00 0.00 C ATOM 982 O GLY A 61 5.746 8.464 5.038 1.00 0.00 O ATOM 0 H GLY A 61 5.915 5.237 6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.613 6.734 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.111 7.014 7.556 1.00 0.00 H new ATOM 986 N LYS A 62 3.982 9.235 6.094 1.00 0.00 N ATOM 987 CA LYS A 62 4.097 10.557 5.415 1.00 0.00 C ATOM 988 C LYS A 62 5.553 11.033 5.427 1.00 0.00 C ATOM 989 O LYS A 62 6.262 10.913 4.448 1.00 0.00 O ATOM 990 CB LYS A 62 3.218 11.502 6.234 1.00 0.00 C ATOM 991 CG LYS A 62 3.362 12.928 5.699 1.00 0.00 C ATOM 992 CD LYS A 62 1.982 13.478 5.333 1.00 0.00 C ATOM 993 CE LYS A 62 2.130 14.886 4.751 1.00 0.00 C ATOM 994 NZ LYS A 62 1.407 15.774 5.704 1.00 0.00 N ATOM 0 H LYS A 62 3.204 9.149 6.748 1.00 0.00 H new ATOM 0 HA LYS A 62 3.785 10.513 4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.176 11.185 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.507 11.466 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.831 13.564 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.012 12.936 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.498 12.823 4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.343 13.503 6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.179 15.170 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.701 14.947 3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.464 16.758 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.410 15.484 5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.842 15.700 6.646 1.00 0.00 H new ATOM 1008 N LYS A 63 6.001 11.569 6.528 1.00 0.00 N ATOM 1009 CA LYS A 63 7.411 12.050 6.603 1.00 0.00 C ATOM 1010 C LYS A 63 8.362 10.868 6.811 1.00 0.00 C ATOM 1011 O LYS A 63 9.554 11.043 6.973 1.00 0.00 O ATOM 1012 CB LYS A 63 7.446 12.988 7.809 1.00 0.00 C ATOM 1013 CG LYS A 63 7.673 14.424 7.332 1.00 0.00 C ATOM 1014 CD LYS A 63 6.347 15.186 7.356 1.00 0.00 C ATOM 1015 CE LYS A 63 6.601 16.641 7.757 1.00 0.00 C ATOM 1016 NZ LYS A 63 5.259 17.183 8.111 1.00 0.00 N ATOM 0 H LYS A 63 5.453 11.695 7.379 1.00 0.00 H new ATOM 0 HA LYS A 63 7.726 12.552 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.509 12.921 8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.242 12.690 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.401 14.920 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.085 14.422 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.874 15.145 6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.659 14.718 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.287 16.704 8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.050 17.203 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.351 18.179 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.629 17.117 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.859 16.633 8.897 1.00 0.00 H new ATOM 1030 N LYS A 64 7.841 9.669 6.809 1.00 0.00 N ATOM 1031 CA LYS A 64 8.704 8.466 7.005 1.00 0.00 C ATOM 1032 C LYS A 64 9.789 8.747 8.047 1.00 0.00 C ATOM 1033 O LYS A 64 10.888 8.233 7.968 1.00 0.00 O ATOM 1034 CB LYS A 64 9.325 8.192 5.634 1.00 0.00 C ATOM 1035 CG LYS A 64 10.366 9.266 5.313 1.00 0.00 C ATOM 1036 CD LYS A 64 11.209 8.820 4.117 1.00 0.00 C ATOM 1037 CE LYS A 64 12.628 9.376 4.256 1.00 0.00 C ATOM 1038 NZ LYS A 64 12.585 10.709 3.593 1.00 0.00 N ATOM 0 H LYS A 64 6.849 9.470 6.679 1.00 0.00 H new ATOM 0 HA LYS A 64 8.137 7.610 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.791 7.207 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.549 8.184 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.871 10.211 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.006 9.437 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.237 7.732 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.758 9.173 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.916 9.465 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.357 8.721 3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.523 11.154 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.314 10.592 2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.887 11.313 4.073 1.00 0.00 H new ATOM 1052 N ARG A 65 9.490 9.558 9.024 1.00 0.00 N ATOM 1053 CA ARG A 65 10.504 9.872 10.071 1.00 0.00 C ATOM 1054 C ARG A 65 9.818 10.421 11.324 1.00 0.00 C ATOM 1055 O ARG A 65 10.068 9.975 12.427 1.00 0.00 O ATOM 1056 CB ARG A 65 11.405 10.936 9.443 1.00 0.00 C ATOM 1057 CG ARG A 65 12.752 10.311 9.075 1.00 0.00 C ATOM 1058 CD ARG A 65 13.050 10.576 7.598 1.00 0.00 C ATOM 1059 NE ARG A 65 14.023 11.704 7.600 1.00 0.00 N ATOM 1060 CZ ARG A 65 15.303 11.461 7.667 1.00 0.00 C ATOM 1061 NH1 ARG A 65 15.842 10.580 6.870 1.00 0.00 N ATOM 1062 NH2 ARG A 65 16.044 12.100 8.530 1.00 0.00 N ATOM 0 H ARG A 65 8.587 10.017 9.143 1.00 0.00 H new ATOM 0 HA ARG A 65 11.067 8.991 10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.930 11.352 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.553 11.760 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.542 10.731 9.698 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.732 9.238 9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.469 9.693 7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.143 10.837 7.053 1.00 0.00 H new ATOM 0 HE ARG A 65 13.688 12.666 7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 65 15.263 10.081 6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.843 10.390 6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.623 12.790 9.152 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.045 11.910 8.582 1.00 0.00 H new ATOM 1076 N LEU A 66 8.953 11.385 11.164 1.00 0.00 N ATOM 1077 CA LEU A 66 8.253 11.961 12.347 1.00 0.00 C ATOM 1078 C LEU A 66 9.273 12.406 13.398 1.00 0.00 C ATOM 1079 O LEU A 66 9.848 11.596 14.100 1.00 0.00 O ATOM 1080 CB LEU A 66 7.387 10.823 12.888 1.00 0.00 C ATOM 1081 CG LEU A 66 5.913 11.228 12.826 1.00 0.00 C ATOM 1082 CD1 LEU A 66 5.722 12.568 13.539 1.00 0.00 C ATOM 1083 CD2 LEU A 66 5.483 11.365 11.363 1.00 0.00 C ATOM 0 H LEU A 66 8.701 11.798 10.266 1.00 0.00 H new ATOM 0 HA LEU A 66 7.659 12.838 12.090 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.551 9.918 12.303 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.669 10.594 13.916 1.00 0.00 H new ATOM 0 HG LEU A 66 5.306 10.466 13.315 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.672 12.857 13.495 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.029 12.473 14.581 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.329 13.330 13.050 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.433 11.654 11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.090 12.128 10.875 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.619 10.411 10.853 1.00 0.00 H new ATOM 1095 N GLY A 67 9.502 13.685 13.514 1.00 0.00 N ATOM 1096 CA GLY A 67 10.482 14.177 14.519 1.00 0.00 C ATOM 1097 C GLY A 67 11.742 13.314 14.471 1.00 0.00 C ATOM 1098 O GLY A 67 11.925 12.515 13.575 1.00 0.00 O ATOM 0 H GLY A 67 9.052 14.410 12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.734 15.218 14.317 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.044 14.143 15.516 1.00 0.00 H new ATOM 1102 N ARG A 68 12.613 13.473 15.427 1.00 0.00 N ATOM 1103 CA ARG A 68 13.865 12.662 15.439 1.00 0.00 C ATOM 1104 C ARG A 68 13.536 11.173 15.302 1.00 0.00 C ATOM 1105 O ARG A 68 12.403 10.797 15.078 1.00 0.00 O ATOM 1106 CB ARG A 68 14.508 12.946 16.797 1.00 0.00 C ATOM 1107 CG ARG A 68 15.887 13.574 16.591 1.00 0.00 C ATOM 1108 CD ARG A 68 16.799 13.202 17.762 1.00 0.00 C ATOM 1109 NE ARG A 68 17.854 12.338 17.166 1.00 0.00 N ATOM 1110 CZ ARG A 68 19.025 12.251 17.736 1.00 0.00 C ATOM 1111 NH1 ARG A 68 19.594 13.320 18.223 1.00 0.00 N ATOM 1112 NH2 ARG A 68 19.627 11.097 17.818 1.00 0.00 N ATOM 0 H ARG A 68 12.514 14.129 16.202 1.00 0.00 H new ATOM 0 HA ARG A 68 14.528 12.916 14.612 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.875 13.617 17.377 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.600 12.022 17.368 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.321 13.225 15.654 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.797 14.658 16.517 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.230 14.090 18.225 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.248 12.673 18.540 1.00 0.00 H new ATOM 0 HE ARG A 68 17.662 11.814 16.312 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.124 14.223 18.158 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.509 13.253 18.669 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.183 10.262 17.437 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.542 11.030 18.264 1.00 0.00 H new ATOM 1126 N TYR A 69 14.518 10.324 15.435 1.00 0.00 N ATOM 1127 CA TYR A 69 14.263 8.860 15.313 1.00 0.00 C ATOM 1128 C TYR A 69 12.971 8.484 16.043 1.00 0.00 C ATOM 1129 O TYR A 69 12.937 8.386 17.253 1.00 0.00 O ATOM 1130 CB TYR A 69 15.468 8.191 15.976 1.00 0.00 C ATOM 1131 CG TYR A 69 15.419 6.703 15.728 1.00 0.00 C ATOM 1132 CD1 TYR A 69 14.395 5.933 16.292 1.00 0.00 C ATOM 1133 CD2 TYR A 69 16.397 6.093 14.934 1.00 0.00 C ATOM 1134 CE1 TYR A 69 14.350 4.552 16.062 1.00 0.00 C ATOM 1135 CE2 TYR A 69 16.352 4.713 14.704 1.00 0.00 C ATOM 1136 CZ TYR A 69 15.328 3.942 15.268 1.00 0.00 C ATOM 1137 OH TYR A 69 15.282 2.582 15.041 1.00 0.00 O ATOM 0 H TYR A 69 15.487 10.581 15.623 1.00 0.00 H new ATOM 0 HA TYR A 69 14.143 8.548 14.276 1.00 0.00 H new ATOM 0 HB2 TYR A 69 16.393 8.606 15.577 1.00 0.00 H new ATOM 0 HB3 TYR A 69 15.465 8.392 17.047 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.640 6.404 16.904 1.00 0.00 H new ATOM 0 HD2 TYR A 69 17.187 6.687 14.499 1.00 0.00 H new ATOM 0 HE1 TYR A 69 13.560 3.958 16.497 1.00 0.00 H new ATOM 0 HE2 TYR A 69 17.107 4.243 14.092 1.00 0.00 H new ATOM 0 HH TYR A 69 16.033 2.320 14.469 1.00 0.00 H new ATOM 1147 N LEU A 70 11.908 8.273 15.316 1.00 0.00 N ATOM 1148 CA LEU A 70 10.619 7.903 15.970 1.00 0.00 C ATOM 1149 C LEU A 70 9.715 7.181 14.978 1.00 0.00 C ATOM 1150 O LEU A 70 8.519 7.392 14.931 1.00 0.00 O ATOM 1151 CB LEU A 70 9.997 9.227 16.385 1.00 0.00 C ATOM 1152 CG LEU A 70 9.306 9.068 17.740 1.00 0.00 C ATOM 1153 CD1 LEU A 70 10.309 9.348 18.861 1.00 0.00 C ATOM 1154 CD2 LEU A 70 8.146 10.060 17.838 1.00 0.00 C ATOM 0 H LEU A 70 11.875 8.340 14.299 1.00 0.00 H new ATOM 0 HA LEU A 70 10.763 7.233 16.818 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.765 9.998 16.446 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.277 9.553 15.634 1.00 0.00 H new ATOM 0 HG LEU A 70 8.927 8.051 17.837 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.816 9.235 19.827 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.138 8.644 18.792 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.688 10.365 18.764 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.652 9.948 18.803 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.527 11.077 17.741 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.431 9.863 17.040 1.00 0.00 H new ATOM 1166 N GLY A 71 10.289 6.332 14.191 1.00 0.00 N ATOM 1167 CA GLY A 71 9.488 5.576 13.186 1.00 0.00 C ATOM 1168 C GLY A 71 10.367 5.232 11.983 1.00 0.00 C ATOM 1169 O GLY A 71 10.635 4.079 11.708 1.00 0.00 O ATOM 0 H GLY A 71 11.287 6.122 14.194 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.093 4.664 13.633 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.633 6.171 12.866 1.00 0.00 H new ATOM 1173 N LYS A 72 10.817 6.221 11.263 1.00 0.00 N ATOM 1174 CA LYS A 72 11.677 5.948 10.075 1.00 0.00 C ATOM 1175 C LYS A 72 10.874 5.208 9.002 1.00 0.00 C ATOM 1176 O LYS A 72 10.054 4.361 9.301 1.00 0.00 O ATOM 1177 CB LYS A 72 12.810 5.067 10.602 1.00 0.00 C ATOM 1178 CG LYS A 72 14.156 5.730 10.302 1.00 0.00 C ATOM 1179 CD LYS A 72 14.451 5.636 8.805 1.00 0.00 C ATOM 1180 CE LYS A 72 15.950 5.413 8.591 1.00 0.00 C ATOM 1181 NZ LYS A 72 16.565 6.762 8.741 1.00 0.00 N ATOM 0 H LYS A 72 10.627 7.207 11.445 1.00 0.00 H new ATOM 0 HA LYS A 72 12.053 6.862 9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.698 4.917 11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.766 4.083 10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.136 6.774 10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.948 5.242 10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.884 4.817 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.134 6.550 8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.353 4.712 9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.150 4.995 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.980 7.057 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.836 7.446 9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.309 6.725 9.466 1.00 0.00 H new ATOM 1195 N ARG A 73 11.099 5.522 7.755 1.00 0.00 N ATOM 1196 CA ARG A 73 10.344 4.838 6.666 1.00 0.00 C ATOM 1197 C ARG A 73 10.245 3.336 6.952 1.00 0.00 C ATOM 1198 O ARG A 73 11.200 2.606 6.778 1.00 0.00 O ATOM 1199 CB ARG A 73 11.159 5.087 5.398 1.00 0.00 C ATOM 1200 CG ARG A 73 10.422 4.494 4.197 1.00 0.00 C ATOM 1201 CD ARG A 73 11.173 3.257 3.696 1.00 0.00 C ATOM 1202 NE ARG A 73 11.709 3.647 2.363 1.00 0.00 N ATOM 1203 CZ ARG A 73 12.820 3.120 1.925 1.00 0.00 C ATOM 1204 NH1 ARG A 73 13.337 2.087 2.534 1.00 0.00 N ATOM 1205 NH2 ARG A 73 13.414 3.626 0.880 1.00 0.00 N ATOM 0 H ARG A 73 11.772 6.222 7.443 1.00 0.00 H new ATOM 0 HA ARG A 73 9.325 5.213 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 73 11.311 6.157 5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 73 12.146 4.635 5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.404 4.225 4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.348 5.235 3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.976 2.979 4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.509 2.396 3.618 1.00 0.00 H new ATOM 0 HE ARG A 73 11.208 4.327 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.873 1.692 3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.205 1.675 2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.010 4.433 0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.282 3.214 0.538 1.00 0.00 H new ATOM 1219 N PRO A 74 9.084 2.929 7.385 1.00 0.00 N ATOM 1220 CA PRO A 74 8.849 1.502 7.703 1.00 0.00 C ATOM 1221 C PRO A 74 8.653 0.697 6.418 1.00 0.00 C ATOM 1222 O PRO A 74 8.919 1.165 5.330 1.00 0.00 O ATOM 1223 CB PRO A 74 7.564 1.525 8.521 1.00 0.00 C ATOM 1224 CG PRO A 74 6.852 2.770 8.096 1.00 0.00 C ATOM 1225 CD PRO A 74 7.895 3.752 7.619 1.00 0.00 C ATOM 0 HA PRO A 74 9.681 1.039 8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.958 0.639 8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.778 1.539 9.590 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.140 2.551 7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.283 3.188 8.927 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.577 4.260 6.709 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.086 4.524 8.365 1.00 0.00 H new ATOM 1233 N ASP A 75 8.173 -0.507 6.540 1.00 0.00 N ATOM 1234 CA ASP A 75 7.937 -1.342 5.337 1.00 0.00 C ATOM 1235 C ASP A 75 6.442 -1.609 5.194 1.00 0.00 C ATOM 1236 O ASP A 75 5.917 -2.582 5.699 1.00 0.00 O ATOM 1237 CB ASP A 75 8.698 -2.643 5.597 1.00 0.00 C ATOM 1238 CG ASP A 75 9.486 -3.034 4.346 1.00 0.00 C ATOM 1239 OD1 ASP A 75 9.571 -2.216 3.444 1.00 0.00 O ATOM 1240 OD2 ASP A 75 9.990 -4.144 4.310 1.00 0.00 O ATOM 0 H ASP A 75 7.933 -0.949 7.427 1.00 0.00 H new ATOM 0 HA ASP A 75 8.272 -0.862 4.417 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.376 -2.517 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.001 -3.437 5.863 1.00 0.00 H new ATOM 1245 N ARG A 76 5.758 -0.750 4.508 1.00 0.00 N ATOM 1246 CA ARG A 76 4.290 -0.938 4.321 1.00 0.00 C ATOM 1247 C ARG A 76 3.961 -1.097 2.835 1.00 0.00 C ATOM 1248 O ARG A 76 4.594 -0.504 1.984 1.00 0.00 O ATOM 1249 CB ARG A 76 3.650 0.335 4.877 1.00 0.00 C ATOM 1250 CG ARG A 76 2.484 -0.032 5.800 1.00 0.00 C ATOM 1251 CD ARG A 76 1.618 -1.112 5.144 1.00 0.00 C ATOM 1252 NE ARG A 76 0.429 -1.239 6.031 1.00 0.00 N ATOM 1253 CZ ARG A 76 0.538 -1.842 7.184 1.00 0.00 C ATOM 1254 NH1 ARG A 76 0.566 -3.145 7.239 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.621 -1.141 8.282 1.00 0.00 N ATOM 0 H ARG A 76 6.148 0.081 4.064 1.00 0.00 H new ATOM 0 HA ARG A 76 3.923 -1.832 4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.391 0.916 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.295 0.962 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.865 -0.391 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.882 0.852 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.328 -0.826 4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.156 -2.057 5.066 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.470 -0.855 5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.503 -3.693 6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.651 -3.616 8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.601 -0.122 8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.706 -1.612 9.183 1.00 0.00 H new ATOM 1269 N LYS A 77 2.979 -1.894 2.514 1.00 0.00 N ATOM 1270 CA LYS A 77 2.617 -2.089 1.080 1.00 0.00 C ATOM 1271 C LYS A 77 1.142 -1.744 0.843 1.00 0.00 C ATOM 1272 O LYS A 77 0.284 -2.048 1.647 1.00 0.00 O ATOM 1273 CB LYS A 77 2.874 -3.571 0.810 1.00 0.00 C ATOM 1274 CG LYS A 77 2.192 -3.979 -0.498 1.00 0.00 C ATOM 1275 CD LYS A 77 2.519 -5.442 -0.807 1.00 0.00 C ATOM 1276 CE LYS A 77 1.314 -6.104 -1.477 1.00 0.00 C ATOM 1277 NZ LYS A 77 1.875 -6.807 -2.665 1.00 0.00 N ATOM 0 H LYS A 77 2.412 -2.418 3.181 1.00 0.00 H new ATOM 0 HA LYS A 77 3.196 -1.444 0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.946 -3.759 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.492 -4.173 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.113 -3.846 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.531 -3.339 -1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.390 -5.501 -1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.774 -5.971 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.820 -6.802 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.569 -5.364 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.279 -7.628 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.897 -6.156 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.841 -7.129 -2.454 1.00 0.00 H new ATOM 1291 N LYS A 78 0.844 -1.117 -0.265 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.572 -0.756 -0.569 1.00 0.00 C ATOM 1293 C LYS A 78 -1.102 -1.653 -1.695 1.00 0.00 C ATOM 1294 O LYS A 78 -0.347 -2.105 -2.527 1.00 0.00 O ATOM 1295 CB LYS A 78 -0.516 0.703 -1.027 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.643 1.496 -0.360 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.704 2.908 -0.953 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.620 2.831 -2.479 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.425 3.986 -2.967 1.00 0.00 N ATOM 0 H LYS A 78 1.522 -0.839 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.233 -0.887 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.450 1.138 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.612 0.758 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.596 0.987 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.475 1.550 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.631 3.398 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.884 3.512 -0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.587 2.897 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.019 1.887 -2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.167 3.645 -3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.865 4.469 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.806 4.651 -3.473 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.383 -1.928 -1.724 1.00 0.00 N ATOM 1314 CA ALA A 79 -2.925 -2.812 -2.808 1.00 0.00 C ATOM 1315 C ALA A 79 -4.183 -2.243 -3.449 1.00 0.00 C ATOM 1316 O ALA A 79 -5.186 -2.038 -2.800 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.282 -4.120 -2.129 1.00 0.00 C ATOM 0 H ALA A 79 -3.071 -1.585 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.184 -2.918 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.685 -4.814 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.389 -4.550 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.029 -3.937 -1.356 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.145 -2.033 -4.731 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.342 -1.514 -5.440 1.00 0.00 C ATOM 1325 C ILE A 80 -6.038 -2.666 -6.160 1.00 0.00 C ATOM 1326 O ILE A 80 -5.516 -3.230 -7.099 1.00 0.00 O ATOM 1327 CB ILE A 80 -4.805 -0.498 -6.441 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.432 0.788 -5.705 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -5.884 -0.189 -7.478 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.404 0.485 -4.616 1.00 0.00 C ATOM 0 H ILE A 80 -3.331 -2.200 -5.322 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.069 -1.061 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.925 -0.906 -6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.026 1.515 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.322 1.235 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.502 0.538 -8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.159 -1.105 -8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.762 0.221 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.143 1.406 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.825 -0.226 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.509 0.058 -5.069 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.205 -3.026 -5.717 1.00 0.00 N ATOM 1343 CA VAL A 81 -7.934 -4.158 -6.363 1.00 0.00 C ATOM 1344 C VAL A 81 -9.116 -3.636 -7.178 1.00 0.00 C ATOM 1345 O VAL A 81 -9.913 -2.857 -6.696 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.433 -5.019 -5.201 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.840 -6.397 -5.724 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.319 -5.178 -4.161 1.00 0.00 C ATOM 0 H VAL A 81 -7.691 -2.588 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.297 -4.717 -7.049 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.294 -4.535 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.195 -7.010 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.635 -6.286 -6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.980 -6.879 -6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.678 -5.792 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.456 -5.659 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.029 -4.197 -3.785 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.257 -4.069 -8.402 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.403 -3.600 -9.214 1.00 0.00 C ATOM 1360 C GLN A 82 -11.352 -4.756 -9.438 1.00 0.00 C ATOM 1361 O GLN A 82 -10.933 -5.889 -9.569 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.801 -3.156 -10.542 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.914 -2.885 -11.554 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.102 -1.376 -11.717 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -10.353 -0.732 -12.425 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -12.077 -0.780 -11.087 1.00 0.00 N ATOM 0 H GLN A 82 -8.629 -4.724 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.956 -2.793 -8.733 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.203 -2.257 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.131 -3.927 -10.923 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.664 -3.336 -12.514 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.844 -3.344 -11.218 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.706 -1.320 -10.493 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.210 0.226 -11.189 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.620 -4.501 -9.508 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.543 -5.626 -9.757 1.00 0.00 C ATOM 1377 C VAL A 83 -14.215 -5.447 -11.112 1.00 0.00 C ATOM 1378 O VAL A 83 -14.319 -4.354 -11.631 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.571 -5.631 -8.627 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -13.892 -5.269 -7.304 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.681 -4.623 -8.927 1.00 0.00 C ATOM 0 H VAL A 83 -13.050 -3.582 -9.406 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.012 -6.578 -9.777 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.004 -6.628 -8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.631 -5.274 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.112 -5.998 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.449 -4.276 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.410 -4.633 -8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.252 -3.625 -9.017 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.174 -4.892 -9.861 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.658 -6.515 -11.685 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.316 -6.425 -13.012 1.00 0.00 C ATOM 1393 C ALA A 84 -16.511 -5.475 -12.954 1.00 0.00 C ATOM 1394 O ALA A 84 -16.826 -4.924 -11.917 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.766 -7.846 -13.310 1.00 0.00 C ATOM 0 H ALA A 84 -14.595 -7.455 -11.294 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.652 -6.034 -13.783 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.266 -7.874 -14.278 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.899 -8.506 -13.330 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.457 -8.179 -12.535 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.135 -5.316 -14.084 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.312 -4.422 -14.195 1.00 0.00 C ATOM 1403 C PRO A 85 -19.531 -5.050 -13.513 1.00 0.00 C ATOM 1404 O PRO A 85 -19.714 -6.251 -13.527 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.527 -4.302 -15.701 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.913 -5.527 -16.284 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.801 -5.955 -15.359 1.00 0.00 C ATOM 0 HA PRO A 85 -18.164 -3.456 -13.713 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.588 -4.240 -15.943 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.057 -3.401 -16.095 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.656 -6.319 -16.384 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.526 -5.325 -17.283 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.757 -7.040 -15.262 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.828 -5.628 -15.726 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.363 -4.244 -12.911 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.567 -4.792 -12.225 1.00 0.00 C ATOM 1417 C GLY A 86 -21.221 -5.115 -10.770 1.00 0.00 C ATOM 1418 O GLY A 86 -22.090 -5.260 -9.933 1.00 0.00 O ATOM 0 H GLY A 86 -20.261 -3.230 -12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.382 -4.069 -12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.913 -5.691 -12.736 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.959 -5.233 -10.464 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.554 -5.550 -9.064 1.00 0.00 C ATOM 1424 C GLN A 87 -19.240 -4.267 -8.292 1.00 0.00 C ATOM 1425 O GLN A 87 -19.181 -3.191 -8.852 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.298 -6.408 -9.203 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.693 -7.815 -9.647 1.00 0.00 C ATOM 1428 CD GLN A 87 -17.493 -8.499 -10.304 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -16.429 -7.921 -10.403 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -17.620 -9.715 -10.762 1.00 0.00 N ATOM 0 H GLN A 87 -19.189 -5.124 -11.123 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.344 -6.062 -8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.618 -5.963 -9.929 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.766 -6.450 -8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.032 -8.397 -8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.526 -7.766 -10.348 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.513 -10.201 -10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.826 -10.179 -11.203 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.035 -4.377 -7.007 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.720 -3.168 -6.193 1.00 0.00 C ATOM 1441 C LYS A 88 -18.531 -3.552 -4.722 1.00 0.00 C ATOM 1442 O LYS A 88 -19.480 -3.830 -4.018 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.935 -2.252 -6.351 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.199 -3.002 -5.927 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.368 -2.579 -6.819 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.334 -3.753 -6.986 1.00 0.00 C ATOM 1447 NZ LYS A 88 -24.568 -3.157 -7.571 1.00 0.00 N ATOM 0 H LYS A 88 -19.072 -5.253 -6.485 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.799 -2.685 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.810 -1.356 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.024 -1.924 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.040 -4.077 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.428 -2.788 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -22.886 -1.728 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.998 -2.257 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -22.916 -4.518 -7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.542 -4.232 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.279 -3.902 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.947 -2.438 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.341 -2.715 -8.484 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.313 -3.568 -4.252 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.073 -3.933 -2.826 1.00 0.00 C ATOM 1463 C ILE A 89 -17.742 -2.910 -1.901 1.00 0.00 C ATOM 1464 O ILE A 89 -17.424 -1.737 -1.923 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.553 -3.904 -2.657 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.939 -5.089 -3.409 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.204 -4.003 -1.170 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.483 -5.280 -2.975 1.00 0.00 C ATOM 0 H ILE A 89 -16.476 -3.345 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.488 -4.908 -2.572 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.156 -2.972 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.510 -5.995 -3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.988 -4.914 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.121 -3.982 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.645 -3.161 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.597 -4.936 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.051 -6.124 -3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.915 -4.377 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.445 -5.475 -1.903 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.671 -3.347 -1.096 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.369 -2.405 -0.174 1.00 0.00 C ATOM 1482 C GLU A 90 -18.477 -2.057 1.020 1.00 0.00 C ATOM 1483 O GLU A 90 -18.740 -1.122 1.752 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.613 -3.162 0.291 1.00 0.00 C ATOM 1485 CG GLU A 90 -20.190 -4.393 1.094 1.00 0.00 C ATOM 1486 CD GLU A 90 -20.543 -4.189 2.568 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -21.718 -4.041 2.860 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -19.632 -4.184 3.380 1.00 0.00 O ATOM 0 H GLU A 90 -18.978 -4.318 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.617 -1.463 -0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.239 -2.513 0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.211 -3.463 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.691 -5.281 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.118 -4.560 0.986 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.431 -2.805 1.232 1.00 0.00 N ATOM 1496 CA ALA A 91 -16.531 -2.522 2.387 1.00 0.00 C ATOM 1497 C ALA A 91 -16.006 -1.082 2.333 1.00 0.00 C ATOM 1498 O ALA A 91 -15.814 -0.447 3.351 1.00 0.00 O ATOM 1499 CB ALA A 91 -15.379 -3.518 2.243 1.00 0.00 C ATOM 0 H ALA A 91 -17.159 -3.601 0.655 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.050 -2.625 3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.670 -3.374 3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.771 -4.535 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.875 -3.356 1.290 1.00 0.00 H new ATOM 1505 N LEU A 92 -15.769 -0.559 1.159 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.250 0.844 1.063 1.00 0.00 C ATOM 1507 C LEU A 92 -16.355 1.782 0.580 1.00 0.00 C ATOM 1508 O LEU A 92 -16.315 2.974 0.812 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.106 0.824 0.034 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.561 -0.594 -0.149 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.337 -0.559 -1.063 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.165 -1.162 1.215 1.00 0.00 C ATOM 0 H LEU A 92 -15.910 -1.035 0.268 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.906 1.198 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.464 1.206 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.305 1.486 0.362 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.328 -1.224 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.950 -1.570 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.619 -0.152 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.567 0.070 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.776 -2.172 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.398 -0.531 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.039 -1.188 1.866 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.336 1.258 -0.097 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.432 2.130 -0.601 1.00 0.00 C ATOM 1526 C GLU A 93 -19.222 2.720 0.570 1.00 0.00 C ATOM 1527 O GLU A 93 -19.557 3.888 0.579 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.316 1.210 -1.441 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.044 1.454 -2.925 1.00 0.00 C ATOM 1530 CD GLU A 93 -20.122 2.374 -3.500 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -20.086 3.556 -3.200 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -20.966 1.881 -4.229 1.00 0.00 O ATOM 0 H GLU A 93 -17.427 0.267 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.056 2.972 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.116 0.168 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.367 1.395 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.060 1.904 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.035 0.507 -3.464 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.521 1.922 1.558 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.288 2.439 2.727 1.00 0.00 C ATOM 1541 C GLY A 94 -19.314 2.890 3.818 1.00 0.00 C ATOM 1542 O GLY A 94 -19.709 3.208 4.923 1.00 0.00 O ATOM 0 H GLY A 94 -19.268 0.935 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.919 3.273 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.949 1.663 3.113 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.044 2.919 3.519 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.047 3.349 4.541 1.00 0.00 C ATOM 1548 C LEU A 95 -16.854 4.866 4.487 1.00 0.00 C ATOM 1549 O LEU A 95 -15.825 5.385 4.873 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.753 2.630 4.156 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.091 2.064 5.413 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.906 0.876 5.929 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.673 1.598 5.075 1.00 0.00 C ATOM 0 H LEU A 95 -17.654 2.664 2.612 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.364 3.106 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.967 1.826 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.075 3.321 3.655 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.049 2.837 6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.434 0.473 6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.917 1.205 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.948 0.103 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.200 1.194 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.717 0.825 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.091 2.442 4.706 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.835 5.582 4.010 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.706 7.065 3.932 1.00 0.00 C ATOM 1567 C ILE A 96 -18.673 7.733 4.912 1.00 0.00 C ATOM 1568 O ILE A 96 -18.203 8.286 5.893 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.073 7.417 2.490 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.064 6.774 1.536 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.045 8.937 2.312 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.799 6.213 0.318 1.00 0.00 C ATOM 1573 OXT ILE A 96 -19.867 7.681 4.665 1.00 0.00 O ATOM 0 H ILE A 96 -18.720 5.205 3.671 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.705 7.408 4.193 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.073 7.044 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.325 7.511 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.522 5.977 2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.307 9.188 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.763 9.396 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.045 9.311 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.080 5.755 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.521 5.463 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.321 7.020 -0.196 1.00 0.00 H new TER 1585 ILE A 96