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 72:sc= -0.797 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -158:sc= 0.869! (180deg=-0.99!) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.602 K(o=1.5,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.605 (180deg=-2.62!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -90:sc= -3.87! USER MOD Single : A 5 TYR OH : rot 179:sc= -4.55! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -130:sc= -3.87! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 150:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 31 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-6.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -94:sc= -6.04! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 45 THR OG1 : rot -140:sc= -0.0427 USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= -0.09 (180deg=-1.08) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= -0.0744 (180deg=-0.336) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -3.15 K(o=-3.2,f=-6.4!) USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= -0.0351 (180deg=-0.111) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= -0.347 (180deg=-0.363) USER MOD Single : A 82 GLN : amide:sc= -10.4! K(o=-10!,f=-4) USER MOD Single : A 87 GLN : amide:sc= -8.59! C(o=-8.6!,f=-12!) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= 0.188 (180deg=0.0746) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.076 -19.200 7.404 1.00 0.00 N ATOM 2 CA MET A 1 -6.685 -18.476 6.250 1.00 0.00 C ATOM 3 C MET A 1 -5.841 -17.253 5.886 1.00 0.00 C ATOM 4 O MET A 1 -5.907 -16.230 6.538 1.00 0.00 O ATOM 5 CB MET A 1 -8.068 -18.038 6.736 1.00 0.00 C ATOM 6 CG MET A 1 -7.947 -17.406 8.125 1.00 0.00 C ATOM 7 SD MET A 1 -9.597 -17.189 8.835 1.00 0.00 S ATOM 8 CE MET A 1 -9.599 -15.379 8.857 1.00 0.00 C ATOM 0 H1 MET A 1 -6.813 -19.735 7.906 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.348 -19.856 7.057 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.642 -18.514 8.054 1.00 0.00 H new ATOM 0 HA MET A 1 -6.743 -19.103 5.360 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.501 -17.323 6.036 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.740 -18.895 6.773 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.341 -18.039 8.773 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.440 -16.444 8.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.544 -15.021 9.266 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.777 -15.022 9.477 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.478 -15.003 7.841 1.00 0.00 H new ATOM 20 N LYS A 2 -5.057 -17.340 4.847 1.00 0.00 N ATOM 21 CA LYS A 2 -4.229 -16.162 4.454 1.00 0.00 C ATOM 22 C LYS A 2 -4.993 -15.324 3.433 1.00 0.00 C ATOM 23 O LYS A 2 -4.810 -15.460 2.241 1.00 0.00 O ATOM 24 CB LYS A 2 -2.926 -16.687 3.821 1.00 0.00 C ATOM 25 CG LYS A 2 -2.706 -18.174 4.130 1.00 0.00 C ATOM 26 CD LYS A 2 -3.301 -19.024 3.006 1.00 0.00 C ATOM 27 CE LYS A 2 -2.322 -19.075 1.830 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.182 -19.119 0.615 1.00 0.00 N ATOM 0 H LYS A 2 -4.953 -18.166 4.258 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.006 -15.544 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.961 -16.541 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.081 -16.108 4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.641 -18.381 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.173 -18.431 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.505 -20.032 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.253 -18.603 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.670 -18.201 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.678 -19.953 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.582 -19.155 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.787 -19.965 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.779 -18.268 0.581 1.00 0.00 H new ATOM 42 N THR A 3 -5.846 -14.454 3.893 1.00 0.00 N ATOM 43 CA THR A 3 -6.613 -13.606 2.943 1.00 0.00 C ATOM 44 C THR A 3 -6.665 -12.157 3.435 1.00 0.00 C ATOM 45 O THR A 3 -5.811 -11.358 3.117 1.00 0.00 O ATOM 46 CB THR A 3 -8.009 -14.218 2.912 1.00 0.00 C ATOM 47 OG1 THR A 3 -8.342 -14.700 4.206 1.00 0.00 O ATOM 48 CG2 THR A 3 -8.030 -15.370 1.909 1.00 0.00 C ATOM 0 H THR A 3 -6.044 -14.294 4.881 1.00 0.00 H new ATOM 0 HA THR A 3 -6.157 -13.579 1.954 1.00 0.00 H new ATOM 0 HB THR A 3 -8.737 -13.464 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.055 -15.633 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.026 -15.811 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.773 -14.995 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.306 -16.127 2.209 1.00 0.00 H new ATOM 56 N ALA A 4 -7.648 -11.810 4.217 1.00 0.00 N ATOM 57 CA ALA A 4 -7.726 -10.407 4.722 1.00 0.00 C ATOM 58 C ALA A 4 -6.707 -10.194 5.847 1.00 0.00 C ATOM 59 O ALA A 4 -6.288 -9.090 6.115 1.00 0.00 O ATOM 60 CB ALA A 4 -9.153 -10.256 5.228 1.00 0.00 C ATOM 0 H ALA A 4 -8.396 -12.430 4.528 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.493 -9.668 3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.296 -9.248 5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.850 -10.430 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.337 -10.982 6.020 1.00 0.00 H new ATOM 66 N TYR A 5 -6.300 -11.258 6.482 1.00 0.00 N ATOM 67 CA TYR A 5 -5.277 -11.180 7.572 1.00 0.00 C ATOM 68 C TYR A 5 -4.020 -10.413 7.093 1.00 0.00 C ATOM 69 O TYR A 5 -4.101 -9.425 6.395 1.00 0.00 O ATOM 70 CB TYR A 5 -4.911 -12.654 7.814 1.00 0.00 C ATOM 71 CG TYR A 5 -4.015 -13.125 6.681 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.342 -12.800 5.361 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.845 -13.845 6.948 1.00 0.00 C ATOM 74 CE1 TYR A 5 -3.521 -13.182 4.314 1.00 0.00 C ATOM 75 CE2 TYR A 5 -2.015 -14.239 5.889 1.00 0.00 C ATOM 76 CZ TYR A 5 -2.354 -13.903 4.570 1.00 0.00 C ATOM 77 OH TYR A 5 -1.531 -14.277 3.526 1.00 0.00 O ATOM 0 H TYR A 5 -6.639 -12.200 6.289 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.645 -10.662 8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.400 -12.765 8.771 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.813 -13.264 7.862 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.245 -12.245 5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.583 -14.096 7.965 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.784 -12.922 3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.115 -14.801 6.089 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.753 -14.757 3.879 1.00 0.00 H new ATOM 87 N ASP A 6 -2.857 -10.898 7.462 1.00 0.00 N ATOM 88 CA ASP A 6 -1.572 -10.264 7.041 1.00 0.00 C ATOM 89 C ASP A 6 -1.693 -9.586 5.671 1.00 0.00 C ATOM 90 O ASP A 6 -1.413 -8.414 5.521 1.00 0.00 O ATOM 91 CB ASP A 6 -0.598 -11.442 6.944 1.00 0.00 C ATOM 92 CG ASP A 6 0.807 -10.920 6.634 1.00 0.00 C ATOM 93 OD1 ASP A 6 1.044 -10.557 5.495 1.00 0.00 O ATOM 94 OD2 ASP A 6 1.621 -10.893 7.542 1.00 0.00 O ATOM 0 H ASP A 6 -2.746 -11.724 8.050 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.258 -9.487 7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.592 -12.000 7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.921 -12.131 6.164 1.00 0.00 H new ATOM 99 N VAL A 7 -2.087 -10.323 4.669 1.00 0.00 N ATOM 100 CA VAL A 7 -2.203 -9.732 3.305 1.00 0.00 C ATOM 101 C VAL A 7 -3.085 -8.476 3.326 1.00 0.00 C ATOM 102 O VAL A 7 -2.659 -7.415 3.729 1.00 0.00 O ATOM 103 CB VAL A 7 -2.840 -10.825 2.444 1.00 0.00 C ATOM 104 CG1 VAL A 7 -3.090 -10.302 1.040 1.00 0.00 C ATOM 105 CG2 VAL A 7 -1.911 -12.021 2.333 1.00 0.00 C ATOM 0 H VAL A 7 -2.334 -11.310 4.736 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.233 -9.421 2.916 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.777 -11.119 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.543 -11.087 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.762 -9.445 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.144 -9.998 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.379 -12.789 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.972 -11.711 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.714 -12.422 3.327 1.00 0.00 H new ATOM 115 N ILE A 8 -4.305 -8.580 2.879 1.00 0.00 N ATOM 116 CA ILE A 8 -5.190 -7.384 2.849 1.00 0.00 C ATOM 117 C ILE A 8 -5.904 -7.188 4.189 1.00 0.00 C ATOM 118 O ILE A 8 -6.985 -7.696 4.406 1.00 0.00 O ATOM 119 CB ILE A 8 -6.198 -7.680 1.739 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.483 -8.314 0.543 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.848 -6.374 1.288 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.425 -8.342 -0.659 1.00 0.00 C ATOM 0 H ILE A 8 -4.727 -9.442 2.533 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.629 -6.466 2.670 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.956 -8.366 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.584 -7.747 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.164 -9.326 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.568 -6.580 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.360 -5.912 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.081 -5.696 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.915 -8.793 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.311 -8.928 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.722 -7.324 -0.912 1.00 0.00 H new ATOM 134 N LEU A 9 -5.311 -6.443 5.082 1.00 0.00 N ATOM 135 CA LEU A 9 -5.959 -6.202 6.405 1.00 0.00 C ATOM 136 C LEU A 9 -7.148 -5.247 6.246 1.00 0.00 C ATOM 137 O LEU A 9 -8.234 -5.654 5.886 1.00 0.00 O ATOM 138 CB LEU A 9 -4.865 -5.574 7.271 1.00 0.00 C ATOM 139 CG LEU A 9 -4.096 -6.675 8.003 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.593 -6.451 7.830 1.00 0.00 C ATOM 141 CD2 LEU A 9 -4.448 -6.637 9.493 1.00 0.00 C ATOM 0 H LEU A 9 -4.406 -5.990 4.954 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.351 -7.117 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.184 -4.992 6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.307 -4.885 7.991 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.368 -7.645 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.046 -7.236 8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.341 -6.476 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.320 -5.481 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.901 -7.421 10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.175 -5.666 9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.519 -6.797 9.618 1.00 0.00 H new ATOM 153 N ALA A 10 -6.954 -3.980 6.508 1.00 0.00 N ATOM 154 CA ALA A 10 -8.080 -3.012 6.367 1.00 0.00 C ATOM 155 C ALA A 10 -7.858 -2.115 5.145 1.00 0.00 C ATOM 156 O ALA A 10 -6.757 -2.016 4.640 1.00 0.00 O ATOM 157 CB ALA A 10 -8.054 -2.183 7.651 1.00 0.00 C ATOM 0 H ALA A 10 -6.068 -3.576 6.812 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.038 -3.512 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.856 -1.445 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.193 -2.839 8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.094 -1.673 7.736 1.00 0.00 H new ATOM 163 N PRO A 11 -8.918 -1.488 4.713 1.00 0.00 N ATOM 164 CA PRO A 11 -8.845 -0.585 3.539 1.00 0.00 C ATOM 165 C PRO A 11 -8.144 0.723 3.915 1.00 0.00 C ATOM 166 O PRO A 11 -7.997 1.047 5.076 1.00 0.00 O ATOM 167 CB PRO A 11 -10.309 -0.334 3.190 1.00 0.00 C ATOM 168 CG PRO A 11 -11.058 -0.561 4.466 1.00 0.00 C ATOM 169 CD PRO A 11 -10.272 -1.563 5.273 1.00 0.00 C ATOM 0 HA PRO A 11 -8.279 -1.006 2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.458 0.681 2.821 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.649 -1.012 2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.171 0.373 5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.062 -0.934 4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.279 -1.314 6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.688 -2.566 5.178 1.00 0.00 H new ATOM 177 N VAL A 12 -7.708 1.477 2.942 1.00 0.00 N ATOM 178 CA VAL A 12 -7.016 2.763 3.251 1.00 0.00 C ATOM 179 C VAL A 12 -7.838 3.946 2.735 1.00 0.00 C ATOM 180 O VAL A 12 -8.391 3.906 1.653 1.00 0.00 O ATOM 181 CB VAL A 12 -5.673 2.686 2.518 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.074 1.287 2.680 1.00 0.00 C ATOM 183 CG2 VAL A 12 -5.881 2.981 1.030 1.00 0.00 C ATOM 0 H VAL A 12 -7.800 1.260 1.950 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.886 2.908 4.323 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.991 3.423 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.119 1.237 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.919 1.078 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.757 0.548 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.924 2.926 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.567 2.248 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.300 3.980 0.912 1.00 0.00 H new ATOM 193 N LEU A 13 -7.915 5.003 3.493 1.00 0.00 N ATOM 194 CA LEU A 13 -8.691 6.188 3.034 1.00 0.00 C ATOM 195 C LEU A 13 -7.739 7.276 2.532 1.00 0.00 C ATOM 196 O LEU A 13 -7.006 7.873 3.296 1.00 0.00 O ATOM 197 CB LEU A 13 -9.453 6.667 4.268 1.00 0.00 C ATOM 198 CG LEU A 13 -10.559 5.667 4.610 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.362 5.340 3.351 1.00 0.00 C ATOM 200 CD2 LEU A 13 -9.931 4.383 5.159 1.00 0.00 C ATOM 0 H LEU A 13 -7.475 5.098 4.408 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.364 5.949 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.770 6.772 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.884 7.651 4.082 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.221 6.101 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.149 4.627 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.809 6.253 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.701 4.906 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.717 3.669 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.270 3.951 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.358 4.613 6.057 1.00 0.00 H new ATOM 212 N SER A 14 -7.743 7.538 1.255 1.00 0.00 N ATOM 213 CA SER A 14 -6.835 8.588 0.708 1.00 0.00 C ATOM 214 C SER A 14 -7.509 9.313 -0.460 1.00 0.00 C ATOM 215 O SER A 14 -8.167 8.708 -1.283 1.00 0.00 O ATOM 216 CB SER A 14 -5.599 7.830 0.228 1.00 0.00 C ATOM 217 OG SER A 14 -4.883 7.338 1.353 1.00 0.00 O ATOM 0 H SER A 14 -8.334 7.072 0.566 1.00 0.00 H new ATOM 0 HA SER A 14 -6.585 9.346 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.894 7.004 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.962 8.488 -0.364 1.00 0.00 H new ATOM 0 HG SER A 14 -4.090 6.850 1.048 1.00 0.00 H new ATOM 223 N GLU A 15 -7.350 10.607 -0.537 1.00 0.00 N ATOM 224 CA GLU A 15 -7.982 11.369 -1.653 1.00 0.00 C ATOM 225 C GLU A 15 -7.810 10.613 -2.972 1.00 0.00 C ATOM 226 O GLU A 15 -8.771 10.269 -3.632 1.00 0.00 O ATOM 227 CB GLU A 15 -7.232 12.701 -1.696 1.00 0.00 C ATOM 228 CG GLU A 15 -8.161 13.794 -2.227 1.00 0.00 C ATOM 229 CD GLU A 15 -8.277 13.671 -3.748 1.00 0.00 C ATOM 230 OE1 GLU A 15 -7.319 13.232 -4.362 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.323 14.018 -4.273 1.00 0.00 O ATOM 0 H GLU A 15 -6.811 11.168 0.123 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.053 11.509 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.878 12.963 -0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.353 12.615 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.146 13.704 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.773 14.777 -1.960 1.00 0.00 H new ATOM 238 N LYS A 16 -6.593 10.353 -3.362 1.00 0.00 N ATOM 239 CA LYS A 16 -6.358 9.623 -4.637 1.00 0.00 C ATOM 240 C LYS A 16 -7.127 8.300 -4.639 1.00 0.00 C ATOM 241 O LYS A 16 -7.723 7.919 -5.627 1.00 0.00 O ATOM 242 CB LYS A 16 -4.851 9.369 -4.674 1.00 0.00 C ATOM 243 CG LYS A 16 -4.262 9.969 -5.952 1.00 0.00 C ATOM 244 CD LYS A 16 -3.062 9.135 -6.403 1.00 0.00 C ATOM 245 CE LYS A 16 -1.784 9.969 -6.281 1.00 0.00 C ATOM 246 NZ LYS A 16 -0.716 8.989 -5.943 1.00 0.00 N ATOM 0 H LYS A 16 -5.750 10.616 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.698 10.187 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.375 9.812 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.651 8.298 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.018 9.992 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.955 11.000 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.981 8.235 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.199 8.809 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.562 10.489 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.881 10.730 -5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.192 9.486 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.951 8.514 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.642 8.281 -6.701 1.00 0.00 H new ATOM 260 N ALA A 17 -7.119 7.596 -3.540 1.00 0.00 N ATOM 261 CA ALA A 17 -7.850 6.297 -3.482 1.00 0.00 C ATOM 262 C ALA A 17 -9.334 6.512 -3.782 1.00 0.00 C ATOM 263 O ALA A 17 -9.848 6.050 -4.779 1.00 0.00 O ATOM 264 CB ALA A 17 -7.665 5.800 -2.048 1.00 0.00 C ATOM 0 H ALA A 17 -6.639 7.863 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.476 5.582 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.176 4.845 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.602 5.672 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.085 6.528 -1.354 1.00 0.00 H new ATOM 270 N TYR A 18 -10.027 7.208 -2.925 1.00 0.00 N ATOM 271 CA TYR A 18 -11.479 7.449 -3.162 1.00 0.00 C ATOM 272 C TYR A 18 -11.727 7.852 -4.618 1.00 0.00 C ATOM 273 O TYR A 18 -12.764 7.568 -5.182 1.00 0.00 O ATOM 274 CB TYR A 18 -11.846 8.590 -2.214 1.00 0.00 C ATOM 275 CG TYR A 18 -12.357 8.011 -0.918 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.277 6.959 -0.944 1.00 0.00 C ATOM 277 CD2 TYR A 18 -11.908 8.521 0.306 1.00 0.00 C ATOM 278 CE1 TYR A 18 -13.752 6.413 0.255 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.382 7.976 1.506 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.305 6.923 1.481 1.00 0.00 C ATOM 281 OH TYR A 18 -13.771 6.385 2.663 1.00 0.00 O ATOM 0 H TYR A 18 -9.652 7.621 -2.071 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.080 6.558 -2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -10.975 9.218 -2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.607 9.226 -2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.622 6.567 -1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.197 9.334 0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.462 5.600 0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.036 8.368 2.451 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.080 7.106 3.251 1.00 0.00 H new ATOM 291 N ALA A 19 -10.784 8.512 -5.232 1.00 0.00 N ATOM 292 CA ALA A 19 -10.971 8.930 -6.652 1.00 0.00 C ATOM 293 C ALA A 19 -10.440 7.848 -7.599 1.00 0.00 C ATOM 294 O ALA A 19 -10.638 7.903 -8.796 1.00 0.00 O ATOM 295 CB ALA A 19 -10.163 10.219 -6.798 1.00 0.00 C ATOM 0 H ALA A 19 -9.893 8.780 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.021 9.080 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.251 10.590 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.546 10.969 -6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.115 10.019 -6.574 1.00 0.00 H new ATOM 301 N GLY A 20 -9.774 6.862 -7.064 1.00 0.00 N ATOM 302 CA GLY A 20 -9.230 5.764 -7.917 1.00 0.00 C ATOM 303 C GLY A 20 -10.008 4.494 -7.613 1.00 0.00 C ATOM 304 O GLY A 20 -10.223 3.656 -8.466 1.00 0.00 O ATOM 0 H GLY A 20 -9.581 6.768 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.321 6.022 -8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.169 5.617 -7.716 1.00 0.00 H new ATOM 308 N PHE A 21 -10.446 4.358 -6.396 1.00 0.00 N ATOM 309 CA PHE A 21 -11.230 3.161 -6.012 1.00 0.00 C ATOM 310 C PHE A 21 -12.654 3.302 -6.562 1.00 0.00 C ATOM 311 O PHE A 21 -13.404 2.350 -6.646 1.00 0.00 O ATOM 312 CB PHE A 21 -11.195 3.167 -4.470 1.00 0.00 C ATOM 313 CG PHE A 21 -12.511 3.646 -3.894 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.031 4.886 -4.279 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.207 2.847 -2.981 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.249 5.328 -3.751 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.424 3.290 -2.450 1.00 0.00 C ATOM 318 CZ PHE A 21 -14.946 4.530 -2.836 1.00 0.00 C ATOM 0 H PHE A 21 -10.292 5.032 -5.646 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.839 2.224 -6.408 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.979 2.163 -4.105 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.387 3.812 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.492 5.502 -4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.806 1.889 -2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.651 6.285 -4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.960 2.675 -1.742 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.886 4.871 -2.428 1.00 0.00 H new ATOM 328 N ALA A 22 -13.022 4.500 -6.921 1.00 0.00 N ATOM 329 CA ALA A 22 -14.384 4.747 -7.452 1.00 0.00 C ATOM 330 C ALA A 22 -14.656 3.868 -8.677 1.00 0.00 C ATOM 331 O ALA A 22 -15.791 3.623 -9.039 1.00 0.00 O ATOM 332 CB ALA A 22 -14.383 6.223 -7.839 1.00 0.00 C ATOM 0 H ALA A 22 -12.427 5.326 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.160 4.509 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.358 6.494 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.175 6.830 -6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.615 6.401 -8.592 1.00 0.00 H new ATOM 338 N GLU A 23 -13.624 3.399 -9.321 1.00 0.00 N ATOM 339 CA GLU A 23 -13.814 2.544 -10.529 1.00 0.00 C ATOM 340 C GLU A 23 -13.921 1.069 -10.131 1.00 0.00 C ATOM 341 O GLU A 23 -13.758 0.184 -10.949 1.00 0.00 O ATOM 342 CB GLU A 23 -12.560 2.775 -11.370 1.00 0.00 C ATOM 343 CG GLU A 23 -12.948 2.892 -12.845 1.00 0.00 C ATOM 344 CD GLU A 23 -11.739 3.358 -13.657 1.00 0.00 C ATOM 345 OE1 GLU A 23 -10.667 3.458 -13.082 1.00 0.00 O ATOM 346 OE2 GLU A 23 -11.905 3.606 -14.841 1.00 0.00 O ATOM 0 H GLU A 23 -12.652 3.571 -9.063 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.728 2.792 -11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.053 3.683 -11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.860 1.951 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.299 1.929 -13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.771 3.598 -12.960 1.00 0.00 H new ATOM 353 N GLY A 24 -14.178 0.796 -8.884 1.00 0.00 N ATOM 354 CA GLY A 24 -14.277 -0.612 -8.437 1.00 0.00 C ATOM 355 C GLY A 24 -12.917 -1.062 -7.900 1.00 0.00 C ATOM 356 O GLY A 24 -12.745 -2.184 -7.468 1.00 0.00 O ATOM 0 H GLY A 24 -14.324 1.494 -8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.038 -0.708 -7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.584 -1.249 -9.266 1.00 0.00 H new ATOM 360 N LYS A 25 -11.951 -0.183 -7.919 1.00 0.00 N ATOM 361 CA LYS A 25 -10.596 -0.533 -7.408 1.00 0.00 C ATOM 362 C LYS A 25 -10.582 -0.383 -5.885 1.00 0.00 C ATOM 363 O LYS A 25 -11.130 0.555 -5.352 1.00 0.00 O ATOM 364 CB LYS A 25 -9.670 0.498 -8.063 1.00 0.00 C ATOM 365 CG LYS A 25 -9.200 -0.020 -9.424 1.00 0.00 C ATOM 366 CD LYS A 25 -7.670 -0.029 -9.467 1.00 0.00 C ATOM 367 CE LYS A 25 -7.200 0.198 -10.905 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.094 1.678 -11.046 1.00 0.00 N ATOM 0 H LYS A 25 -12.045 0.770 -8.270 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.295 -1.555 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.194 1.446 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.811 0.690 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.585 -1.025 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.593 0.612 -10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.272 0.749 -8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.290 -0.981 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.241 -0.286 -11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.908 -0.217 -11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.776 1.913 -12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.024 2.111 -10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.408 2.044 -10.356 1.00 0.00 H new ATOM 382 N TYR A 26 -9.992 -1.298 -5.165 1.00 0.00 N ATOM 383 CA TYR A 26 -9.999 -1.153 -3.679 1.00 0.00 C ATOM 384 C TYR A 26 -8.597 -1.285 -3.077 1.00 0.00 C ATOM 385 O TYR A 26 -8.055 -2.366 -2.958 1.00 0.00 O ATOM 386 CB TYR A 26 -10.922 -2.260 -3.177 1.00 0.00 C ATOM 387 CG TYR A 26 -12.295 -2.067 -3.772 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.914 -0.813 -3.709 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.950 -3.140 -4.389 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.187 -0.631 -4.262 1.00 0.00 C ATOM 391 CE2 TYR A 26 -14.223 -2.958 -4.943 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.842 -1.703 -4.879 1.00 0.00 C ATOM 393 OH TYR A 26 -16.096 -1.524 -5.424 1.00 0.00 O ATOM 0 H TYR A 26 -9.515 -2.123 -5.529 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.343 -0.162 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.525 -3.236 -3.457 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.978 -2.238 -2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.409 0.015 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.473 -4.108 -4.438 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.664 0.337 -4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.728 -3.785 -5.420 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.213 -2.133 -6.183 1.00 0.00 H new ATOM 403 N THR A 27 -8.029 -0.183 -2.669 1.00 0.00 N ATOM 404 CA THR A 27 -6.684 -0.195 -2.045 1.00 0.00 C ATOM 405 C THR A 27 -6.791 -0.735 -0.623 1.00 0.00 C ATOM 406 O THR A 27 -7.735 -0.461 0.089 1.00 0.00 O ATOM 407 CB THR A 27 -6.241 1.269 -2.027 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.582 1.880 -3.263 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.729 1.346 -1.815 1.00 0.00 C ATOM 0 H THR A 27 -8.453 0.742 -2.745 1.00 0.00 H new ATOM 0 HA THR A 27 -5.976 -0.824 -2.584 1.00 0.00 H new ATOM 0 HB THR A 27 -6.744 1.791 -1.213 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.300 2.819 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.416 2.390 -1.803 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.471 0.878 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.221 0.825 -2.626 1.00 0.00 H new ATOM 417 N PHE A 28 -5.840 -1.513 -0.214 1.00 0.00 N ATOM 418 CA PHE A 28 -5.884 -2.091 1.152 1.00 0.00 C ATOM 419 C PHE A 28 -4.529 -1.928 1.832 1.00 0.00 C ATOM 420 O PHE A 28 -3.540 -1.662 1.191 1.00 0.00 O ATOM 421 CB PHE A 28 -6.184 -3.572 0.941 1.00 0.00 C ATOM 422 CG PHE A 28 -7.461 -3.735 0.156 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.580 -2.952 0.463 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.528 -4.680 -0.874 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.766 -3.112 -0.262 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.714 -4.841 -1.599 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.832 -4.058 -1.294 1.00 0.00 C ATOM 0 H PHE A 28 -5.026 -1.777 -0.770 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.627 -1.603 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.359 -4.046 0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.274 -4.074 1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.528 -2.224 1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.665 -5.285 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.629 -2.507 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.766 -5.570 -2.394 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.747 -4.182 -1.854 1.00 0.00 H new ATOM 437 N TRP A 29 -4.468 -2.127 3.116 1.00 0.00 N ATOM 438 CA TRP A 29 -3.166 -2.033 3.819 1.00 0.00 C ATOM 439 C TRP A 29 -2.675 -3.457 3.967 1.00 0.00 C ATOM 440 O TRP A 29 -3.382 -4.307 4.473 1.00 0.00 O ATOM 441 CB TRP A 29 -3.469 -1.407 5.181 1.00 0.00 C ATOM 442 CG TRP A 29 -3.343 0.080 5.085 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.329 0.960 5.373 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.189 0.874 4.680 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.855 2.243 5.171 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.542 2.243 4.744 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.884 0.544 4.269 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.633 3.248 4.411 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.033 1.555 3.933 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.342 2.904 4.004 1.00 0.00 C ATOM 0 H TRP A 29 -5.267 -2.351 3.709 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.413 -1.437 3.304 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.475 -1.678 5.502 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.780 -1.793 5.932 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.324 0.703 5.706 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.408 3.087 5.319 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.585 -0.492 4.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.926 4.286 4.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.032 1.291 3.618 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.367 3.676 3.744 1.00 0.00 H new ATOM 461 N VAL A 30 -1.520 -3.768 3.477 1.00 0.00 N ATOM 462 CA VAL A 30 -1.099 -5.176 3.553 1.00 0.00 C ATOM 463 C VAL A 30 0.398 -5.332 3.802 1.00 0.00 C ATOM 464 O VAL A 30 1.187 -4.435 3.584 1.00 0.00 O ATOM 465 CB VAL A 30 -1.503 -5.725 2.190 1.00 0.00 C ATOM 466 CG1 VAL A 30 -1.078 -4.756 1.082 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.841 -7.063 1.956 1.00 0.00 C ATOM 0 H VAL A 30 -0.863 -3.124 3.037 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.558 -5.704 4.389 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.586 -5.843 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.372 -5.160 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.563 -3.792 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.004 -4.626 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.135 -7.449 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.242 -6.944 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.152 -7.763 2.731 1.00 0.00 H new ATOM 477 N HIS A 31 0.770 -6.487 4.268 1.00 0.00 N ATOM 478 CA HIS A 31 2.200 -6.776 4.565 1.00 0.00 C ATOM 479 C HIS A 31 3.045 -6.691 3.291 1.00 0.00 C ATOM 480 O HIS A 31 2.559 -6.933 2.205 1.00 0.00 O ATOM 481 CB HIS A 31 2.186 -8.210 5.100 1.00 0.00 C ATOM 482 CG HIS A 31 3.192 -8.348 6.209 1.00 0.00 C ATOM 483 ND1 HIS A 31 4.052 -9.431 6.295 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.488 -7.546 7.284 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.817 -9.255 7.388 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.515 -8.121 8.027 1.00 0.00 N ATOM 0 H HIS A 31 0.132 -7.259 4.460 1.00 0.00 H new ATOM 0 HA HIS A 31 2.632 -6.066 5.270 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.191 -8.462 5.466 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.417 -8.910 4.297 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.999 -6.612 7.517 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.582 -9.946 7.710 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.945 -7.755 8.877 1.00 0.00 H new ATOM 494 N PRO A 32 4.294 -6.359 3.476 1.00 0.00 N ATOM 495 CA PRO A 32 5.231 -6.250 2.332 1.00 0.00 C ATOM 496 C PRO A 32 5.578 -7.645 1.818 1.00 0.00 C ATOM 497 O PRO A 32 6.684 -8.123 1.980 1.00 0.00 O ATOM 498 CB PRO A 32 6.456 -5.578 2.936 1.00 0.00 C ATOM 499 CG PRO A 32 6.400 -5.905 4.393 1.00 0.00 C ATOM 500 CD PRO A 32 4.946 -6.052 4.754 1.00 0.00 C ATOM 0 HA PRO A 32 4.824 -5.695 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.374 -5.952 2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.435 -4.501 2.773 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.945 -6.825 4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.866 -5.117 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.794 -6.849 5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.550 -5.138 5.195 1.00 0.00 H new ATOM 508 N LYS A 33 4.635 -8.308 1.217 1.00 0.00 N ATOM 509 CA LYS A 33 4.900 -9.681 0.711 1.00 0.00 C ATOM 510 C LYS A 33 3.643 -10.248 0.055 1.00 0.00 C ATOM 511 O LYS A 33 3.713 -10.982 -0.908 1.00 0.00 O ATOM 512 CB LYS A 33 5.268 -10.496 1.953 1.00 0.00 C ATOM 513 CG LYS A 33 4.337 -10.125 3.113 1.00 0.00 C ATOM 514 CD LYS A 33 3.565 -11.365 3.565 1.00 0.00 C ATOM 515 CE LYS A 33 4.510 -12.315 4.305 1.00 0.00 C ATOM 516 NZ LYS A 33 3.715 -13.556 4.522 1.00 0.00 N ATOM 0 H LYS A 33 3.691 -7.959 1.054 1.00 0.00 H new ATOM 0 HA LYS A 33 5.690 -9.701 -0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.188 -11.561 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.304 -10.304 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.916 -9.722 3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.642 -9.345 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.740 -11.075 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.128 -11.869 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.406 -12.517 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.839 -11.886 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.296 -14.257 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.872 -13.334 5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.421 -13.945 3.603 1.00 0.00 H new ATOM 530 N ALA A 34 2.490 -9.911 0.572 1.00 0.00 N ATOM 531 CA ALA A 34 1.227 -10.429 -0.023 1.00 0.00 C ATOM 532 C ALA A 34 1.302 -10.335 -1.551 1.00 0.00 C ATOM 533 O ALA A 34 0.988 -9.316 -2.134 1.00 0.00 O ATOM 534 CB ALA A 34 0.130 -9.512 0.515 1.00 0.00 C ATOM 0 H ALA A 34 2.371 -9.300 1.380 1.00 0.00 H new ATOM 0 HA ALA A 34 1.042 -11.473 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.835 -9.829 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.113 -9.565 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.329 -8.486 0.205 1.00 0.00 H new ATOM 540 N THR A 35 1.729 -11.382 -2.202 1.00 0.00 N ATOM 541 CA THR A 35 1.839 -11.348 -3.689 1.00 0.00 C ATOM 542 C THR A 35 0.626 -10.644 -4.301 1.00 0.00 C ATOM 543 O THR A 35 -0.499 -10.878 -3.907 1.00 0.00 O ATOM 544 CB THR A 35 1.878 -12.816 -4.118 1.00 0.00 C ATOM 545 OG1 THR A 35 1.338 -13.624 -3.082 1.00 0.00 O ATOM 546 CG2 THR A 35 3.324 -13.230 -4.390 1.00 0.00 C ATOM 0 H THR A 35 2.007 -12.262 -1.768 1.00 0.00 H new ATOM 0 HA THR A 35 2.721 -10.800 -4.021 1.00 0.00 H new ATOM 0 HB THR A 35 1.288 -12.947 -5.025 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.064 -13.951 -2.510 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.352 -14.276 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.737 -12.609 -5.185 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.916 -13.101 -3.484 1.00 0.00 H new ATOM 554 N LYS A 36 0.844 -9.784 -5.262 1.00 0.00 N ATOM 555 CA LYS A 36 -0.307 -9.076 -5.894 1.00 0.00 C ATOM 556 C LYS A 36 -1.436 -10.073 -6.152 1.00 0.00 C ATOM 557 O LYS A 36 -2.594 -9.789 -5.922 1.00 0.00 O ATOM 558 CB LYS A 36 0.234 -8.509 -7.209 1.00 0.00 C ATOM 559 CG LYS A 36 0.134 -6.981 -7.180 1.00 0.00 C ATOM 560 CD LYS A 36 0.121 -6.438 -8.609 1.00 0.00 C ATOM 561 CE LYS A 36 -0.306 -4.967 -8.596 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.632 -4.649 -10.013 1.00 0.00 N ATOM 0 H LYS A 36 1.763 -9.543 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.711 -8.285 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.271 -8.815 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.334 -8.906 -8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.772 -6.676 -6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.976 -6.562 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.111 -6.536 -9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.565 -7.021 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.169 -4.812 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.493 -4.327 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.569 -3.622 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.042 -5.132 -10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.597 -4.971 -10.228 1.00 0.00 H new ATOM 576 N THR A 37 -1.105 -11.250 -6.607 1.00 0.00 N ATOM 577 CA THR A 37 -2.160 -12.270 -6.852 1.00 0.00 C ATOM 578 C THR A 37 -2.757 -12.701 -5.511 1.00 0.00 C ATOM 579 O THR A 37 -3.951 -12.871 -5.377 1.00 0.00 O ATOM 580 CB THR A 37 -1.445 -13.426 -7.537 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.332 -13.153 -8.927 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.225 -14.728 -7.332 1.00 0.00 C ATOM 0 H THR A 37 -0.153 -11.548 -6.819 1.00 0.00 H new ATOM 0 HA THR A 37 -2.980 -11.900 -7.467 1.00 0.00 H new ATOM 0 HB THR A 37 -0.452 -13.538 -7.102 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.870 -13.895 -9.370 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.703 -15.547 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.305 -14.940 -6.266 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.223 -14.625 -7.757 1.00 0.00 H new ATOM 590 N GLU A 38 -1.933 -12.858 -4.509 1.00 0.00 N ATOM 591 CA GLU A 38 -2.462 -13.253 -3.175 1.00 0.00 C ATOM 592 C GLU A 38 -3.523 -12.241 -2.748 1.00 0.00 C ATOM 593 O GLU A 38 -4.550 -12.590 -2.202 1.00 0.00 O ATOM 594 CB GLU A 38 -1.258 -13.206 -2.234 1.00 0.00 C ATOM 595 CG GLU A 38 -0.757 -14.627 -1.972 1.00 0.00 C ATOM 596 CD GLU A 38 0.268 -14.606 -0.837 1.00 0.00 C ATOM 597 OE1 GLU A 38 -0.117 -14.286 0.276 1.00 0.00 O ATOM 598 OE2 GLU A 38 1.420 -14.911 -1.099 1.00 0.00 O ATOM 0 H GLU A 38 -0.922 -12.730 -4.558 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.924 -14.240 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.463 -12.604 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.536 -12.728 -1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.593 -15.276 -1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.306 -15.037 -2.876 1.00 0.00 H new ATOM 605 N ILE A 39 -3.286 -10.987 -3.020 1.00 0.00 N ATOM 606 CA ILE A 39 -4.286 -9.947 -2.661 1.00 0.00 C ATOM 607 C ILE A 39 -5.612 -10.288 -3.344 1.00 0.00 C ATOM 608 O ILE A 39 -6.681 -10.069 -2.812 1.00 0.00 O ATOM 609 CB ILE A 39 -3.700 -8.640 -3.211 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.557 -8.177 -2.303 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.778 -7.554 -3.261 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.635 -7.234 -3.081 1.00 0.00 C ATOM 0 H ILE A 39 -2.442 -10.639 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.478 -9.875 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.327 -8.816 -4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.958 -7.669 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.994 -9.038 -1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.348 -6.632 -3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.592 -7.879 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.162 -7.376 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.822 -6.905 -2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.223 -7.758 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.203 -6.367 -3.420 1.00 0.00 H new ATOM 624 N LYS A 40 -5.541 -10.842 -4.523 1.00 0.00 N ATOM 625 CA LYS A 40 -6.784 -11.219 -5.250 1.00 0.00 C ATOM 626 C LYS A 40 -7.608 -12.191 -4.405 1.00 0.00 C ATOM 627 O LYS A 40 -8.801 -12.037 -4.240 1.00 0.00 O ATOM 628 CB LYS A 40 -6.290 -11.918 -6.517 1.00 0.00 C ATOM 629 CG LYS A 40 -7.470 -12.169 -7.455 1.00 0.00 C ATOM 630 CD LYS A 40 -7.164 -13.372 -8.349 1.00 0.00 C ATOM 631 CE LYS A 40 -6.965 -12.899 -9.791 1.00 0.00 C ATOM 632 NZ LYS A 40 -5.999 -13.867 -10.382 1.00 0.00 N ATOM 0 H LYS A 40 -4.672 -11.050 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.418 -10.359 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.540 -11.303 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.809 -12.862 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.375 -12.353 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.657 -11.286 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.268 -13.883 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.981 -14.092 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.907 -12.896 -10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.575 -11.882 -9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.811 -13.609 -11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.110 -13.843 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.401 -14.825 -10.344 1.00 0.00 H new ATOM 646 N ASN A 41 -6.969 -13.199 -3.882 1.00 0.00 N ATOM 647 CA ASN A 41 -7.693 -14.205 -3.055 1.00 0.00 C ATOM 648 C ASN A 41 -8.053 -13.639 -1.676 1.00 0.00 C ATOM 649 O ASN A 41 -9.075 -13.976 -1.113 1.00 0.00 O ATOM 650 CB ASN A 41 -6.715 -15.371 -2.913 1.00 0.00 C ATOM 651 CG ASN A 41 -6.587 -16.097 -4.253 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.577 -16.442 -4.867 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.400 -16.346 -4.735 1.00 0.00 N ATOM 0 H ASN A 41 -5.970 -13.371 -3.992 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.634 -14.502 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.740 -15.004 -2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.065 -16.061 -2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.303 -16.830 -5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.569 -16.056 -4.219 1.00 0.00 H new ATOM 660 N ALA A 42 -7.220 -12.805 -1.110 1.00 0.00 N ATOM 661 CA ALA A 42 -7.541 -12.265 0.244 1.00 0.00 C ATOM 662 C ALA A 42 -8.882 -11.520 0.226 1.00 0.00 C ATOM 663 O ALA A 42 -9.743 -11.774 1.045 1.00 0.00 O ATOM 664 CB ALA A 42 -6.388 -11.324 0.620 1.00 0.00 C ATOM 0 H ALA A 42 -6.344 -12.478 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.641 -13.066 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.572 -10.899 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.452 -11.883 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.320 -10.521 -0.114 1.00 0.00 H new ATOM 670 N VAL A 43 -9.080 -10.613 -0.692 1.00 0.00 N ATOM 671 CA VAL A 43 -10.388 -9.886 -0.722 1.00 0.00 C ATOM 672 C VAL A 43 -11.518 -10.865 -1.046 1.00 0.00 C ATOM 673 O VAL A 43 -12.626 -10.728 -0.567 1.00 0.00 O ATOM 674 CB VAL A 43 -10.272 -8.818 -1.815 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.496 -7.619 -1.273 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.550 -9.386 -3.038 1.00 0.00 C ATOM 0 H VAL A 43 -8.408 -10.345 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.613 -9.429 0.242 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.273 -8.504 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.413 -6.858 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.022 -7.204 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.499 -7.938 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.475 -8.616 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.550 -9.712 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.110 -10.235 -3.429 1.00 0.00 H new ATOM 686 N GLU A 44 -11.248 -11.862 -1.846 1.00 0.00 N ATOM 687 CA GLU A 44 -12.311 -12.851 -2.179 1.00 0.00 C ATOM 688 C GLU A 44 -12.785 -13.532 -0.894 1.00 0.00 C ATOM 689 O GLU A 44 -13.966 -13.693 -0.658 1.00 0.00 O ATOM 690 CB GLU A 44 -11.641 -13.860 -3.112 1.00 0.00 C ATOM 691 CG GLU A 44 -11.874 -13.445 -4.566 1.00 0.00 C ATOM 692 CD GLU A 44 -12.772 -14.475 -5.253 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.533 -15.126 -4.556 1.00 0.00 O ATOM 694 OE2 GLU A 44 -12.685 -14.594 -6.464 1.00 0.00 O ATOM 0 H GLU A 44 -10.341 -12.033 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.182 -12.394 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.572 -13.910 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.046 -14.857 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.338 -12.459 -4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.922 -13.370 -5.091 1.00 0.00 H new ATOM 701 N THR A 45 -11.863 -13.914 -0.053 1.00 0.00 N ATOM 702 CA THR A 45 -12.240 -14.566 1.232 1.00 0.00 C ATOM 703 C THR A 45 -12.682 -13.495 2.233 1.00 0.00 C ATOM 704 O THR A 45 -13.285 -13.785 3.247 1.00 0.00 O ATOM 705 CB THR A 45 -10.963 -15.284 1.681 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.098 -16.676 1.430 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.699 -15.062 3.175 1.00 0.00 C ATOM 0 H THR A 45 -10.860 -13.802 -0.202 1.00 0.00 H new ATOM 0 HA THR A 45 -13.073 -15.264 1.144 1.00 0.00 H new ATOM 0 HB THR A 45 -10.122 -14.877 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.712 -17.182 2.176 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.787 -15.583 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.585 -13.996 3.370 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.537 -15.449 3.754 1.00 0.00 H new ATOM 715 N ALA A 46 -12.378 -12.257 1.953 1.00 0.00 N ATOM 716 CA ALA A 46 -12.771 -11.165 2.883 1.00 0.00 C ATOM 717 C ALA A 46 -13.994 -10.417 2.344 1.00 0.00 C ATOM 718 O ALA A 46 -15.073 -10.492 2.896 1.00 0.00 O ATOM 719 CB ALA A 46 -11.558 -10.238 2.936 1.00 0.00 C ATOM 0 H ALA A 46 -11.874 -11.956 1.119 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.043 -11.543 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.767 -9.403 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.694 -10.790 3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.346 -9.859 1.936 1.00 0.00 H new ATOM 725 N PHE A 47 -13.832 -9.692 1.270 1.00 0.00 N ATOM 726 CA PHE A 47 -14.984 -8.937 0.698 1.00 0.00 C ATOM 727 C PHE A 47 -15.953 -9.893 -0.004 1.00 0.00 C ATOM 728 O PHE A 47 -17.113 -9.588 -0.197 1.00 0.00 O ATOM 729 CB PHE A 47 -14.363 -7.969 -0.308 1.00 0.00 C ATOM 730 CG PHE A 47 -13.528 -6.949 0.428 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.076 -6.242 1.505 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.207 -6.709 0.032 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.301 -5.297 2.188 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.432 -5.764 0.715 1.00 0.00 C ATOM 735 CZ PHE A 47 -11.980 -5.058 1.793 1.00 0.00 C ATOM 0 H PHE A 47 -12.952 -9.590 0.764 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.556 -8.416 1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.745 -8.515 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.145 -7.470 -0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.096 -6.425 1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.786 -7.253 -0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.723 -4.752 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.412 -5.580 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.383 -4.329 2.320 1.00 0.00 H new ATOM 745 N LYS A 48 -15.483 -11.049 -0.386 1.00 0.00 N ATOM 746 CA LYS A 48 -16.372 -12.028 -1.075 1.00 0.00 C ATOM 747 C LYS A 48 -16.818 -11.472 -2.426 1.00 0.00 C ATOM 748 O LYS A 48 -17.982 -11.504 -2.773 1.00 0.00 O ATOM 749 CB LYS A 48 -17.571 -12.205 -0.142 1.00 0.00 C ATOM 750 CG LYS A 48 -17.685 -13.674 0.273 1.00 0.00 C ATOM 751 CD LYS A 48 -19.070 -13.929 0.870 1.00 0.00 C ATOM 752 CE LYS A 48 -19.235 -15.423 1.156 1.00 0.00 C ATOM 753 NZ LYS A 48 -18.188 -15.738 2.168 1.00 0.00 N ATOM 0 H LYS A 48 -14.521 -11.358 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.870 -12.975 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.455 -11.575 0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.485 -11.886 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.525 -14.320 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.912 -13.918 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.193 -13.356 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.843 -13.593 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.232 -15.644 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.101 -16.016 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.580 -16.381 2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.379 -16.194 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.873 -14.859 2.627 1.00 0.00 H new ATOM 767 N VAL A 49 -15.896 -10.957 -3.186 1.00 0.00 N ATOM 768 CA VAL A 49 -16.249 -10.388 -4.510 1.00 0.00 C ATOM 769 C VAL A 49 -15.404 -11.036 -5.613 1.00 0.00 C ATOM 770 O VAL A 49 -14.813 -12.081 -5.429 1.00 0.00 O ATOM 771 CB VAL A 49 -15.943 -8.891 -4.366 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.571 -8.543 -4.959 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.023 -8.098 -5.083 1.00 0.00 C ATOM 0 H VAL A 49 -14.906 -10.906 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.287 -10.566 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.925 -8.638 -3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.384 -7.476 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.796 -9.107 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.557 -8.799 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.816 -7.032 -4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.036 -8.372 -6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.993 -8.320 -4.639 1.00 0.00 H new ATOM 783 N LYS A 50 -15.337 -10.408 -6.753 1.00 0.00 N ATOM 784 CA LYS A 50 -14.522 -10.969 -7.868 1.00 0.00 C ATOM 785 C LYS A 50 -13.405 -9.992 -8.235 1.00 0.00 C ATOM 786 O LYS A 50 -13.653 -8.898 -8.704 1.00 0.00 O ATOM 787 CB LYS A 50 -15.492 -11.136 -9.038 1.00 0.00 C ATOM 788 CG LYS A 50 -14.911 -12.141 -10.033 1.00 0.00 C ATOM 789 CD LYS A 50 -13.729 -11.506 -10.766 1.00 0.00 C ATOM 790 CE LYS A 50 -13.489 -12.244 -12.086 1.00 0.00 C ATOM 791 NZ LYS A 50 -14.243 -11.463 -13.104 1.00 0.00 N ATOM 0 H LYS A 50 -15.812 -9.530 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.052 -11.915 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.460 -11.482 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.659 -10.176 -9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.588 -13.041 -9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.676 -12.445 -10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.930 -10.452 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.835 -11.552 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.427 -12.286 -12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.845 -13.273 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.358 -12.035 -13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.180 -11.214 -12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.719 -10.594 -13.333 1.00 0.00 H new ATOM 805 N VAL A 51 -12.176 -10.373 -8.023 1.00 0.00 N ATOM 806 CA VAL A 51 -11.047 -9.460 -8.357 1.00 0.00 C ATOM 807 C VAL A 51 -10.766 -9.486 -9.860 1.00 0.00 C ATOM 808 O VAL A 51 -10.503 -10.523 -10.436 1.00 0.00 O ATOM 809 CB VAL A 51 -9.852 -10.011 -7.583 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.608 -9.183 -7.913 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.135 -9.929 -6.083 1.00 0.00 C ATOM 0 H VAL A 51 -11.905 -11.276 -7.633 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.265 -8.425 -8.094 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.683 -11.050 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.753 -9.575 -7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.406 -9.240 -8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.777 -8.144 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.282 -10.322 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.303 -8.890 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.022 -10.517 -5.848 1.00 0.00 H new ATOM 821 N VAL A 52 -10.811 -8.349 -10.499 1.00 0.00 N ATOM 822 CA VAL A 52 -10.538 -8.306 -11.962 1.00 0.00 C ATOM 823 C VAL A 52 -9.263 -7.505 -12.231 1.00 0.00 C ATOM 824 O VAL A 52 -8.941 -7.188 -13.359 1.00 0.00 O ATOM 825 CB VAL A 52 -11.755 -7.618 -12.579 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.727 -6.123 -12.271 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.724 -7.807 -14.088 1.00 0.00 C ATOM 0 H VAL A 52 -11.025 -7.448 -10.071 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.384 -9.299 -12.385 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.660 -8.057 -12.160 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.599 -5.643 -12.716 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.742 -5.974 -11.191 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.820 -5.683 -12.686 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.590 -7.318 -14.534 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.812 -7.367 -14.491 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.748 -8.871 -14.322 1.00 0.00 H new ATOM 837 N LYS A 53 -8.534 -7.178 -11.198 1.00 0.00 N ATOM 838 CA LYS A 53 -7.273 -6.400 -11.380 1.00 0.00 C ATOM 839 C LYS A 53 -6.765 -5.906 -10.023 1.00 0.00 C ATOM 840 O LYS A 53 -7.440 -5.176 -9.325 1.00 0.00 O ATOM 841 CB LYS A 53 -7.652 -5.217 -12.271 1.00 0.00 C ATOM 842 CG LYS A 53 -7.038 -5.408 -13.658 1.00 0.00 C ATOM 843 CD LYS A 53 -6.357 -4.112 -14.100 1.00 0.00 C ATOM 844 CE LYS A 53 -5.003 -4.436 -14.736 1.00 0.00 C ATOM 845 NZ LYS A 53 -4.034 -3.531 -14.057 1.00 0.00 N ATOM 0 H LYS A 53 -8.758 -7.417 -10.232 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.479 -7.000 -11.824 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.736 -5.139 -12.349 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.297 -4.286 -11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.314 -6.222 -13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.811 -5.687 -14.374 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.988 -3.582 -14.814 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.220 -3.451 -13.244 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.737 -5.483 -14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.020 -4.261 -15.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.081 -3.694 -14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.309 -2.542 -14.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.035 -3.725 -13.035 1.00 0.00 H new ATOM 859 N VAL A 54 -5.581 -6.299 -9.643 1.00 0.00 N ATOM 860 CA VAL A 54 -5.037 -5.851 -8.329 1.00 0.00 C ATOM 861 C VAL A 54 -3.833 -4.928 -8.542 1.00 0.00 C ATOM 862 O VAL A 54 -2.870 -5.283 -9.193 1.00 0.00 O ATOM 863 CB VAL A 54 -4.634 -7.148 -7.600 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.283 -6.982 -6.890 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.695 -7.483 -6.553 1.00 0.00 C ATOM 0 H VAL A 54 -4.968 -6.909 -10.183 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.761 -5.279 -7.749 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.551 -7.946 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.022 -7.911 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.514 -6.740 -7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.353 -6.177 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.416 -8.400 -6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.768 -6.666 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.659 -7.622 -7.043 1.00 0.00 H new ATOM 875 N ASN A 55 -3.874 -3.757 -7.975 1.00 0.00 N ATOM 876 CA ASN A 55 -2.728 -2.823 -8.118 1.00 0.00 C ATOM 877 C ASN A 55 -2.249 -2.400 -6.733 1.00 0.00 C ATOM 878 O ASN A 55 -2.961 -1.759 -5.989 1.00 0.00 O ATOM 879 CB ASN A 55 -3.276 -1.625 -8.895 1.00 0.00 C ATOM 880 CG ASN A 55 -2.453 -1.422 -10.168 1.00 0.00 C ATOM 881 OD1 ASN A 55 -1.466 -2.097 -10.382 1.00 0.00 O ATOM 882 ND2 ASN A 55 -2.820 -0.512 -11.028 1.00 0.00 N ATOM 0 H ASN A 55 -4.653 -3.407 -7.418 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.879 -3.272 -8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.323 -1.791 -9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.236 -0.728 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.278 -0.367 -11.880 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.649 0.055 -10.848 1.00 0.00 H new ATOM 889 N THR A 56 -1.050 -2.755 -6.379 1.00 0.00 N ATOM 890 CA THR A 56 -0.535 -2.378 -5.034 1.00 0.00 C ATOM 891 C THR A 56 0.708 -1.500 -5.180 1.00 0.00 C ATOM 892 O THR A 56 1.449 -1.607 -6.138 1.00 0.00 O ATOM 893 CB THR A 56 -0.192 -3.697 -4.299 1.00 0.00 C ATOM 894 OG1 THR A 56 1.150 -3.639 -3.836 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.352 -4.912 -5.220 1.00 0.00 C ATOM 0 H THR A 56 -0.403 -3.289 -6.960 1.00 0.00 H new ATOM 0 HA THR A 56 -1.274 -1.808 -4.471 1.00 0.00 H new ATOM 0 HB THR A 56 -0.882 -3.809 -3.463 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.209 -3.018 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.103 -5.820 -4.671 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.383 -4.970 -5.570 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.316 -4.811 -6.075 1.00 0.00 H new ATOM 903 N LEU A 57 0.937 -0.630 -4.239 1.00 0.00 N ATOM 904 CA LEU A 57 2.128 0.261 -4.322 1.00 0.00 C ATOM 905 C LEU A 57 2.663 0.555 -2.917 1.00 0.00 C ATOM 906 O LEU A 57 1.913 0.662 -1.967 1.00 0.00 O ATOM 907 CB LEU A 57 1.612 1.540 -4.983 1.00 0.00 C ATOM 908 CG LEU A 57 0.601 2.221 -4.061 1.00 0.00 C ATOM 909 CD1 LEU A 57 1.307 3.299 -3.237 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.502 2.866 -4.903 1.00 0.00 C ATOM 0 H LEU A 57 0.351 -0.496 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 57 2.947 -0.186 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.442 2.215 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.146 1.305 -5.940 1.00 0.00 H new ATOM 0 HG LEU A 57 0.163 1.480 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.586 3.785 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.094 2.842 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.745 4.040 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.224 3.352 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.063 3.607 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.006 2.099 -5.492 1.00 0.00 H new ATOM 922 N HIS A 58 3.955 0.684 -2.776 1.00 0.00 N ATOM 923 CA HIS A 58 4.530 0.966 -1.429 1.00 0.00 C ATOM 924 C HIS A 58 4.222 2.407 -1.009 1.00 0.00 C ATOM 925 O HIS A 58 4.407 3.340 -1.765 1.00 0.00 O ATOM 926 CB HIS A 58 6.037 0.764 -1.589 1.00 0.00 C ATOM 927 CG HIS A 58 6.539 -0.135 -0.492 1.00 0.00 C ATOM 928 ND1 HIS A 58 7.402 -1.191 -0.740 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.307 -0.149 0.862 1.00 0.00 C ATOM 930 CE1 HIS A 58 7.656 -1.791 0.438 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.014 -1.197 1.446 1.00 0.00 N ATOM 0 H HIS A 58 4.635 0.607 -3.532 1.00 0.00 H new ATOM 0 HA HIS A 58 4.112 0.317 -0.660 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.255 0.325 -2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.550 1.725 -1.550 1.00 0.00 H new ATOM 0 HD1 HIS A 58 7.776 -1.464 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.673 0.546 1.392 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.301 -2.649 0.553 1.00 0.00 H new ATOM 939 N VAL A 59 3.755 2.591 0.195 1.00 0.00 N ATOM 940 CA VAL A 59 3.433 3.970 0.675 1.00 0.00 C ATOM 941 C VAL A 59 4.269 4.305 1.911 1.00 0.00 C ATOM 942 O VAL A 59 4.268 3.582 2.887 1.00 0.00 O ATOM 943 CB VAL A 59 1.934 3.974 1.035 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.164 4.768 -0.021 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.374 2.546 1.097 1.00 0.00 C ATOM 0 H VAL A 59 3.581 1.846 0.870 1.00 0.00 H new ATOM 0 HA VAL A 59 3.656 4.714 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 59 1.818 4.433 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.103 4.773 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.536 5.792 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.304 4.305 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.315 2.581 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.497 2.065 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.912 1.977 1.855 1.00 0.00 H new ATOM 955 N ARG A 60 4.982 5.397 1.880 1.00 0.00 N ATOM 956 CA ARG A 60 5.816 5.778 3.056 1.00 0.00 C ATOM 957 C ARG A 60 5.600 7.254 3.401 1.00 0.00 C ATOM 958 O ARG A 60 5.604 8.110 2.539 1.00 0.00 O ATOM 959 CB ARG A 60 7.257 5.534 2.612 1.00 0.00 C ATOM 960 CG ARG A 60 7.483 4.034 2.417 1.00 0.00 C ATOM 961 CD ARG A 60 6.859 3.591 1.091 1.00 0.00 C ATOM 962 NE ARG A 60 7.959 2.902 0.362 1.00 0.00 N ATOM 963 CZ ARG A 60 8.575 3.509 -0.615 1.00 0.00 C ATOM 964 NH1 ARG A 60 7.888 4.112 -1.546 1.00 0.00 N ATOM 965 NH2 ARG A 60 9.880 3.516 -0.661 1.00 0.00 N ATOM 0 H ARG A 60 5.024 6.042 1.091 1.00 0.00 H new ATOM 0 HA ARG A 60 5.562 5.205 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.458 6.067 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.950 5.923 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.550 3.813 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.040 3.478 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.014 2.922 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.484 4.444 0.526 1.00 0.00 H new ATOM 0 HE ARG A 60 8.231 1.955 0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.869 4.109 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.370 4.586 -2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.418 3.047 0.067 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.361 3.991 -1.425 1.00 0.00 H new ATOM 979 N GLY A 61 5.412 7.558 4.656 1.00 0.00 N ATOM 980 CA GLY A 61 5.195 8.977 5.055 1.00 0.00 C ATOM 981 C GLY A 61 6.201 9.873 4.330 1.00 0.00 C ATOM 982 O GLY A 61 7.168 9.405 3.762 1.00 0.00 O ATOM 0 H GLY A 61 5.399 6.885 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.178 9.283 4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.309 9.084 6.134 1.00 0.00 H new ATOM 986 N LYS A 62 5.980 11.160 4.343 1.00 0.00 N ATOM 987 CA LYS A 62 6.925 12.086 3.654 1.00 0.00 C ATOM 988 C LYS A 62 7.149 13.341 4.501 1.00 0.00 C ATOM 989 O LYS A 62 8.266 13.695 4.821 1.00 0.00 O ATOM 990 CB LYS A 62 6.237 12.443 2.335 1.00 0.00 C ATOM 991 CG LYS A 62 7.116 13.417 1.548 1.00 0.00 C ATOM 992 CD LYS A 62 6.285 14.082 0.450 1.00 0.00 C ATOM 993 CE LYS A 62 5.217 14.976 1.087 1.00 0.00 C ATOM 994 NZ LYS A 62 5.494 16.341 0.559 1.00 0.00 N ATOM 0 H LYS A 62 5.187 11.610 4.800 1.00 0.00 H new ATOM 0 HA LYS A 62 7.904 11.634 3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.060 11.541 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.263 12.892 2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.527 14.174 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.961 12.887 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.929 14.674 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.814 13.323 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.214 14.645 0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.280 14.953 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.735 16.988 0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.403 16.680 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.537 16.309 -0.480 1.00 0.00 H new ATOM 1008 N LYS A 63 6.094 14.017 4.866 1.00 0.00 N ATOM 1009 CA LYS A 63 6.247 15.249 5.691 1.00 0.00 C ATOM 1010 C LYS A 63 6.552 14.878 7.145 1.00 0.00 C ATOM 1011 O LYS A 63 7.239 15.591 7.848 1.00 0.00 O ATOM 1012 CB LYS A 63 4.898 15.964 5.592 1.00 0.00 C ATOM 1013 CG LYS A 63 4.681 16.445 4.156 1.00 0.00 C ATOM 1014 CD LYS A 63 4.107 17.864 4.174 1.00 0.00 C ATOM 1015 CE LYS A 63 4.824 18.718 3.127 1.00 0.00 C ATOM 1016 NZ LYS A 63 3.736 19.273 2.274 1.00 0.00 N ATOM 0 H LYS A 63 5.133 13.770 4.629 1.00 0.00 H new ATOM 0 HA LYS A 63 7.067 15.878 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.094 15.289 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.871 16.810 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.624 16.430 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.000 15.772 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.037 17.838 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.229 18.304 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.403 19.514 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.521 18.120 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.149 19.871 1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.206 18.493 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.092 19.843 2.859 1.00 0.00 H new ATOM 1030 N LYS A 64 6.046 13.765 7.602 1.00 0.00 N ATOM 1031 CA LYS A 64 6.304 13.348 9.009 1.00 0.00 C ATOM 1032 C LYS A 64 7.777 13.574 9.369 1.00 0.00 C ATOM 1033 O LYS A 64 8.123 13.758 10.519 1.00 0.00 O ATOM 1034 CB LYS A 64 5.967 11.857 9.048 1.00 0.00 C ATOM 1035 CG LYS A 64 6.152 11.329 10.472 1.00 0.00 C ATOM 1036 CD LYS A 64 5.214 10.143 10.702 1.00 0.00 C ATOM 1037 CE LYS A 64 6.033 8.852 10.785 1.00 0.00 C ATOM 1038 NZ LYS A 64 5.585 8.194 12.044 1.00 0.00 N ATOM 0 H LYS A 64 5.464 13.126 7.061 1.00 0.00 H new ATOM 0 HA LYS A 64 5.712 13.920 9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.940 11.697 8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.611 11.310 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.187 11.023 10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.942 12.118 11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.648 10.287 11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.490 10.075 9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.853 8.214 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.102 9.063 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.102 7.301 12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.775 8.822 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.565 7.999 11.990 1.00 0.00 H new ATOM 1052 N ARG A 65 8.645 13.559 8.395 1.00 0.00 N ATOM 1053 CA ARG A 65 10.093 13.770 8.683 1.00 0.00 C ATOM 1054 C ARG A 65 10.364 15.242 9.009 1.00 0.00 C ATOM 1055 O ARG A 65 11.367 15.580 9.607 1.00 0.00 O ATOM 1056 CB ARG A 65 10.814 13.367 7.395 1.00 0.00 C ATOM 1057 CG ARG A 65 11.833 12.268 7.702 1.00 0.00 C ATOM 1058 CD ARG A 65 12.464 11.778 6.397 1.00 0.00 C ATOM 1059 NE ARG A 65 13.677 12.624 6.214 1.00 0.00 N ATOM 1060 CZ ARG A 65 14.335 12.588 5.088 1.00 0.00 C ATOM 1061 NH1 ARG A 65 14.789 11.452 4.634 1.00 0.00 N ATOM 1062 NH2 ARG A 65 14.539 13.688 4.416 1.00 0.00 N ATOM 0 H ARG A 65 8.415 13.410 7.413 1.00 0.00 H new ATOM 0 HA ARG A 65 10.430 13.189 9.542 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.093 13.013 6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.316 14.232 6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.605 12.649 8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.346 11.439 8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.725 10.721 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.775 11.889 5.559 1.00 0.00 H new ATOM 0 HE ARG A 65 13.993 13.232 6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.629 10.592 5.159 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.303 11.424 3.754 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.184 14.576 4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.053 13.660 3.536 1.00 0.00 H new ATOM 1076 N LEU A 66 9.481 16.120 8.620 1.00 0.00 N ATOM 1077 CA LEU A 66 9.693 17.567 8.909 1.00 0.00 C ATOM 1078 C LEU A 66 11.078 18.002 8.425 1.00 0.00 C ATOM 1079 O LEU A 66 11.858 18.565 9.166 1.00 0.00 O ATOM 1080 CB LEU A 66 9.592 17.689 10.430 1.00 0.00 C ATOM 1081 CG LEU A 66 9.045 19.069 10.798 1.00 0.00 C ATOM 1082 CD1 LEU A 66 10.037 20.146 10.356 1.00 0.00 C ATOM 1083 CD2 LEU A 66 7.706 19.291 10.091 1.00 0.00 C ATOM 0 H LEU A 66 8.623 15.899 8.115 1.00 0.00 H new ATOM 0 HA LEU A 66 8.965 18.201 8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.939 16.911 10.825 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.573 17.543 10.883 1.00 0.00 H new ATOM 0 HG LEU A 66 8.902 19.127 11.877 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.647 21.129 10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.992 19.989 10.857 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.180 20.088 9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.315 20.274 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.850 19.233 9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.998 18.524 10.404 1.00 0.00 H new ATOM 1095 N GLY A 67 11.384 17.741 7.183 1.00 0.00 N ATOM 1096 CA GLY A 67 12.714 18.131 6.634 1.00 0.00 C ATOM 1097 C GLY A 67 13.802 17.851 7.668 1.00 0.00 C ATOM 1098 O GLY A 67 14.697 18.645 7.878 1.00 0.00 O ATOM 0 H GLY A 67 10.766 17.272 6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.917 17.575 5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.713 19.189 6.371 1.00 0.00 H new ATOM 1102 N ARG A 68 13.726 16.726 8.317 1.00 0.00 N ATOM 1103 CA ARG A 68 14.747 16.382 9.343 1.00 0.00 C ATOM 1104 C ARG A 68 14.752 14.867 9.596 1.00 0.00 C ATOM 1105 O ARG A 68 13.962 14.132 9.037 1.00 0.00 O ATOM 1106 CB ARG A 68 14.309 17.178 10.582 1.00 0.00 C ATOM 1107 CG ARG A 68 13.626 16.272 11.617 1.00 0.00 C ATOM 1108 CD ARG A 68 13.417 17.050 12.919 1.00 0.00 C ATOM 1109 NE ARG A 68 12.497 18.162 12.556 1.00 0.00 N ATOM 1110 CZ ARG A 68 11.868 18.819 13.493 1.00 0.00 C ATOM 1111 NH1 ARG A 68 10.904 18.244 14.159 1.00 0.00 N ATOM 1112 NH2 ARG A 68 12.204 20.050 13.763 1.00 0.00 N ATOM 0 H ARG A 68 12.997 16.026 8.181 1.00 0.00 H new ATOM 0 HA ARG A 68 15.766 16.631 9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.177 17.659 11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.625 17.972 10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.668 15.921 11.233 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.238 15.389 11.803 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.985 16.416 13.693 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.362 17.430 13.309 1.00 0.00 H new ATOM 0 HE ARG A 68 12.358 18.411 11.577 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.642 17.281 13.948 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.413 18.757 14.891 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.958 20.499 13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.713 20.564 14.495 1.00 0.00 H new ATOM 1126 N TYR A 69 15.633 14.398 10.437 1.00 0.00 N ATOM 1127 CA TYR A 69 15.681 12.937 10.726 1.00 0.00 C ATOM 1128 C TYR A 69 14.756 12.602 11.899 1.00 0.00 C ATOM 1129 O TYR A 69 15.143 12.674 13.049 1.00 0.00 O ATOM 1130 CB TYR A 69 17.138 12.653 11.093 1.00 0.00 C ATOM 1131 CG TYR A 69 17.453 11.202 10.818 1.00 0.00 C ATOM 1132 CD1 TYR A 69 17.131 10.639 9.577 1.00 0.00 C ATOM 1133 CD2 TYR A 69 18.067 10.420 11.803 1.00 0.00 C ATOM 1134 CE1 TYR A 69 17.423 9.294 9.321 1.00 0.00 C ATOM 1135 CE2 TYR A 69 18.359 9.074 11.547 1.00 0.00 C ATOM 1136 CZ TYR A 69 18.037 8.512 10.306 1.00 0.00 C ATOM 1137 OH TYR A 69 18.325 7.186 10.054 1.00 0.00 O ATOM 0 H TYR A 69 16.321 14.963 10.936 1.00 0.00 H new ATOM 0 HA TYR A 69 15.351 12.336 9.879 1.00 0.00 H new ATOM 0 HB2 TYR A 69 17.802 13.296 10.515 1.00 0.00 H new ATOM 0 HB3 TYR A 69 17.310 12.880 12.145 1.00 0.00 H new ATOM 0 HD1 TYR A 69 16.657 11.243 8.817 1.00 0.00 H new ATOM 0 HD2 TYR A 69 18.316 10.854 12.760 1.00 0.00 H new ATOM 0 HE1 TYR A 69 17.175 8.860 8.364 1.00 0.00 H new ATOM 0 HE2 TYR A 69 18.832 8.470 12.307 1.00 0.00 H new ATOM 0 HH TYR A 69 18.751 6.788 10.842 1.00 0.00 H new ATOM 1147 N LEU A 70 13.533 12.241 11.618 1.00 0.00 N ATOM 1148 CA LEU A 70 12.583 11.906 12.718 1.00 0.00 C ATOM 1149 C LEU A 70 11.905 10.571 12.439 1.00 0.00 C ATOM 1150 O LEU A 70 10.725 10.392 12.668 1.00 0.00 O ATOM 1151 CB LEU A 70 11.560 13.031 12.707 1.00 0.00 C ATOM 1152 CG LEU A 70 11.048 13.279 14.126 1.00 0.00 C ATOM 1153 CD1 LEU A 70 11.718 14.528 14.701 1.00 0.00 C ATOM 1154 CD2 LEU A 70 9.532 13.483 14.093 1.00 0.00 C ATOM 0 H LEU A 70 13.151 12.164 10.675 1.00 0.00 H new ATOM 0 HA LEU A 70 13.083 11.815 13.682 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.010 13.940 12.309 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.729 12.773 12.051 1.00 0.00 H new ATOM 0 HG LEU A 70 11.286 12.419 14.752 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.352 14.704 15.713 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.798 14.383 14.726 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.482 15.388 14.075 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.167 13.660 15.105 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.294 14.342 13.466 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.054 12.592 13.685 1.00 0.00 H new ATOM 1166 N GLY A 71 12.651 9.639 11.947 1.00 0.00 N ATOM 1167 CA GLY A 71 12.079 8.297 11.640 1.00 0.00 C ATOM 1168 C GLY A 71 12.749 7.728 10.389 1.00 0.00 C ATOM 1169 O GLY A 71 13.768 8.216 9.942 1.00 0.00 O ATOM 0 H GLY A 71 13.644 9.742 11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.231 7.624 12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.003 8.376 11.485 1.00 0.00 H new ATOM 1173 N LYS A 72 12.185 6.698 9.818 1.00 0.00 N ATOM 1174 CA LYS A 72 12.791 6.099 8.595 1.00 0.00 C ATOM 1175 C LYS A 72 11.699 5.511 7.697 1.00 0.00 C ATOM 1176 O LYS A 72 10.859 4.753 8.138 1.00 0.00 O ATOM 1177 CB LYS A 72 13.714 4.993 9.112 1.00 0.00 C ATOM 1178 CG LYS A 72 14.804 5.608 9.991 1.00 0.00 C ATOM 1179 CD LYS A 72 15.759 4.510 10.464 1.00 0.00 C ATOM 1180 CE LYS A 72 16.331 3.773 9.253 1.00 0.00 C ATOM 1181 NZ LYS A 72 17.595 3.155 9.741 1.00 0.00 N ATOM 0 H LYS A 72 11.331 6.246 10.146 1.00 0.00 H new ATOM 0 HA LYS A 72 13.330 6.835 7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.140 4.263 9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.165 4.460 8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.353 6.366 9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.355 6.108 10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.567 4.945 11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.232 3.810 11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.637 3.016 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.520 4.458 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.047 2.630 8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.239 3.900 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.383 2.503 10.523 1.00 0.00 H new ATOM 1195 N ARG A 73 11.705 5.856 6.437 1.00 0.00 N ATOM 1196 CA ARG A 73 10.667 5.319 5.511 1.00 0.00 C ATOM 1197 C ARG A 73 10.462 3.821 5.755 1.00 0.00 C ATOM 1198 O ARG A 73 11.294 3.014 5.395 1.00 0.00 O ATOM 1199 CB ARG A 73 11.227 5.560 4.109 1.00 0.00 C ATOM 1200 CG ARG A 73 10.339 6.561 3.368 1.00 0.00 C ATOM 1201 CD ARG A 73 11.214 7.520 2.559 1.00 0.00 C ATOM 1202 NE ARG A 73 10.253 8.421 1.863 1.00 0.00 N ATOM 1203 CZ ARG A 73 10.664 9.556 1.368 1.00 0.00 C ATOM 1204 NH1 ARG A 73 10.778 10.602 2.141 1.00 0.00 N ATOM 1205 NH2 ARG A 73 10.960 9.646 0.100 1.00 0.00 N ATOM 0 H ARG A 73 12.384 6.486 6.010 1.00 0.00 H new ATOM 0 HA ARG A 73 9.699 5.799 5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 73 12.246 5.941 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.272 4.621 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.652 6.033 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.731 7.120 4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.886 8.083 3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.837 6.980 1.846 1.00 0.00 H new ATOM 0 HE ARG A 73 9.274 8.150 1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.546 10.532 3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.099 11.489 1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.870 8.829 -0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.281 10.533 -0.287 1.00 0.00 H new ATOM 1219 N PRO A 74 9.352 3.502 6.365 1.00 0.00 N ATOM 1220 CA PRO A 74 9.028 2.087 6.665 1.00 0.00 C ATOM 1221 C PRO A 74 8.614 1.353 5.388 1.00 0.00 C ATOM 1222 O PRO A 74 8.784 1.845 4.291 1.00 0.00 O ATOM 1223 CB PRO A 74 7.856 2.183 7.632 1.00 0.00 C ATOM 1224 CG PRO A 74 7.218 3.501 7.335 1.00 0.00 C ATOM 1225 CD PRO A 74 8.304 4.417 6.829 1.00 0.00 C ATOM 0 HA PRO A 74 9.872 1.535 7.078 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.154 1.362 7.484 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.193 2.132 8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.431 3.388 6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.752 3.914 8.230 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.944 5.054 6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.669 5.076 7.617 1.00 0.00 H new ATOM 1233 N ASP A 75 8.062 0.182 5.529 1.00 0.00 N ATOM 1234 CA ASP A 75 7.622 -0.583 4.336 1.00 0.00 C ATOM 1235 C ASP A 75 6.106 -0.749 4.365 1.00 0.00 C ATOM 1236 O ASP A 75 5.582 -1.712 4.889 1.00 0.00 O ATOM 1237 CB ASP A 75 8.316 -1.941 4.456 1.00 0.00 C ATOM 1238 CG ASP A 75 9.767 -1.816 3.987 1.00 0.00 C ATOM 1239 OD1 ASP A 75 10.407 -0.847 4.360 1.00 0.00 O ATOM 1240 OD2 ASP A 75 10.212 -2.691 3.263 1.00 0.00 O ATOM 0 H ASP A 75 7.897 -0.279 6.424 1.00 0.00 H new ATOM 0 HA ASP A 75 7.875 -0.084 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.285 -2.287 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.791 -2.684 3.855 1.00 0.00 H new ATOM 1245 N ARG A 76 5.404 0.180 3.797 1.00 0.00 N ATOM 1246 CA ARG A 76 3.915 0.086 3.777 1.00 0.00 C ATOM 1247 C ARG A 76 3.433 -0.257 2.364 1.00 0.00 C ATOM 1248 O ARG A 76 3.563 0.528 1.447 1.00 0.00 O ATOM 1249 CB ARG A 76 3.424 1.472 4.193 1.00 0.00 C ATOM 1250 CG ARG A 76 2.573 1.353 5.458 1.00 0.00 C ATOM 1251 CD ARG A 76 3.433 0.808 6.600 1.00 0.00 C ATOM 1252 NE ARG A 76 2.615 1.011 7.828 1.00 0.00 N ATOM 1253 CZ ARG A 76 2.774 0.224 8.855 1.00 0.00 C ATOM 1254 NH1 ARG A 76 2.443 -1.036 8.768 1.00 0.00 N ATOM 1255 NH2 ARG A 76 3.261 0.694 9.971 1.00 0.00 N ATOM 0 H ARG A 76 5.792 1.006 3.342 1.00 0.00 H new ATOM 0 HA ARG A 76 3.538 -0.692 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.273 2.131 4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.839 1.919 3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.165 2.327 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.726 0.691 5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.666 -0.246 6.450 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.383 1.338 6.666 1.00 0.00 H new ATOM 0 HE ARG A 76 1.930 1.766 7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.060 -1.404 7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.567 -1.653 9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.518 1.679 10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.385 0.077 10.773 1.00 0.00 H new ATOM 1269 N LYS A 77 2.881 -1.424 2.182 1.00 0.00 N ATOM 1270 CA LYS A 77 2.396 -1.813 0.826 1.00 0.00 C ATOM 1271 C LYS A 77 0.866 -1.857 0.803 1.00 0.00 C ATOM 1272 O LYS A 77 0.241 -2.472 1.643 1.00 0.00 O ATOM 1273 CB LYS A 77 2.975 -3.208 0.584 1.00 0.00 C ATOM 1274 CG LYS A 77 2.479 -3.742 -0.761 1.00 0.00 C ATOM 1275 CD LYS A 77 2.724 -5.250 -0.835 1.00 0.00 C ATOM 1276 CE LYS A 77 1.772 -5.874 -1.858 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.639 -6.257 -3.006 1.00 0.00 N ATOM 0 H LYS A 77 2.744 -2.125 2.911 1.00 0.00 H new ATOM 0 HA LYS A 77 2.705 -1.104 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.064 -3.167 0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.676 -3.882 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.416 -3.530 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.997 -3.239 -1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.758 -5.447 -1.118 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.569 -5.703 0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.260 -6.742 -1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.002 -5.166 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.057 -6.693 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.108 -5.410 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.358 -6.937 -2.686 1.00 0.00 H new ATOM 1291 N LYS A 78 0.258 -1.209 -0.154 1.00 0.00 N ATOM 1292 CA LYS A 78 -1.231 -1.216 -0.228 1.00 0.00 C ATOM 1293 C LYS A 78 -1.689 -1.943 -1.496 1.00 0.00 C ATOM 1294 O LYS A 78 -0.982 -1.976 -2.478 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.640 0.256 -0.265 1.00 0.00 C ATOM 1296 CG LYS A 78 -0.858 0.977 -1.364 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.607 2.247 -1.775 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.971 3.052 -0.526 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.083 4.462 -0.997 1.00 0.00 N ATOM 0 H LYS A 78 0.727 -0.676 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.686 -1.735 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.711 0.342 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.445 0.723 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.141 1.230 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.732 0.321 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.987 2.848 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.509 1.987 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.909 2.705 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.207 2.953 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.230 5.090 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.209 4.734 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.889 4.547 -1.649 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.856 -2.544 -1.480 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.325 -3.282 -2.696 1.00 0.00 C ATOM 1315 C ALA A 79 -4.657 -2.763 -3.217 1.00 0.00 C ATOM 1316 O ALA A 79 -5.643 -2.737 -2.509 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.524 -4.713 -2.250 1.00 0.00 C ATOM 0 H ALA A 79 -3.497 -2.556 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.597 -3.164 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.868 -5.312 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.580 -5.114 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.268 -4.746 -1.454 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.701 -2.404 -4.466 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.975 -1.930 -5.063 1.00 0.00 C ATOM 1325 C ILE A 80 -6.565 -3.031 -5.944 1.00 0.00 C ATOM 1326 O ILE A 80 -6.032 -3.357 -6.984 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.586 -0.719 -5.900 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.727 0.217 -5.054 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.846 0.016 -6.356 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -4.383 1.454 -5.873 1.00 0.00 C ATOM 0 H ILE A 80 -3.904 -2.419 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.727 -1.678 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.024 -1.044 -6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.262 0.503 -4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.815 -0.291 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.565 0.882 -6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.462 -0.655 -6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.411 0.345 -5.484 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.769 2.127 -5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.832 1.158 -6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.301 1.964 -6.166 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.657 -3.610 -5.539 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.266 -4.694 -6.357 1.00 0.00 C ATOM 1344 C VAL A 81 -9.496 -4.173 -7.098 1.00 0.00 C ATOM 1345 O VAL A 81 -10.334 -3.503 -6.530 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.667 -5.771 -5.350 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.394 -6.905 -6.075 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.414 -6.323 -4.668 1.00 0.00 C ATOM 0 H VAL A 81 -8.155 -3.381 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.579 -5.075 -7.112 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.329 -5.337 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.680 -7.673 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.287 -6.513 -6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.734 -7.339 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.699 -7.091 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.752 -6.756 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.896 -5.516 -4.150 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.621 -4.484 -8.359 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.806 -4.016 -9.115 1.00 0.00 C ATOM 1360 C GLN A 82 -11.774 -5.169 -9.262 1.00 0.00 C ATOM 1361 O GLN A 82 -11.376 -6.314 -9.315 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.267 -3.604 -10.482 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.425 -3.335 -11.449 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.711 -1.834 -11.497 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -12.028 -1.298 -12.540 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.611 -1.128 -10.405 1.00 0.00 N ATOM 0 H GLN A 82 -8.954 -5.040 -8.893 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.328 -3.194 -8.624 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.651 -2.710 -10.384 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.626 -4.391 -10.880 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.174 -3.700 -12.445 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.315 -3.875 -11.127 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.345 -1.578 -9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.799 -0.126 -10.427 1.00 0.00 H new ATOM 1375 N VAL A 83 -13.034 -4.900 -9.346 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.973 -6.023 -9.513 1.00 0.00 C ATOM 1377 C VAL A 83 -14.662 -5.920 -10.864 1.00 0.00 C ATOM 1378 O VAL A 83 -14.761 -4.860 -11.449 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.989 -5.939 -8.375 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.298 -5.487 -7.088 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -16.093 -4.947 -8.743 1.00 0.00 C ATOM 0 H VAL A 83 -13.449 -3.969 -9.307 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.453 -6.980 -9.480 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.427 -6.924 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.030 -5.430 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.521 -6.203 -6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.850 -4.505 -7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.816 -4.889 -7.930 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.656 -3.963 -8.911 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.595 -5.281 -9.651 1.00 0.00 H new ATOM 1391 N ALA A 84 -15.138 -7.011 -11.355 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.826 -6.989 -12.666 1.00 0.00 C ATOM 1393 C ALA A 84 -17.138 -6.215 -12.559 1.00 0.00 C ATOM 1394 O ALA A 84 -17.489 -5.722 -11.505 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.092 -8.452 -12.973 1.00 0.00 C ATOM 0 H ALA A 84 -15.083 -7.926 -10.907 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.238 -6.502 -13.444 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.603 -8.535 -13.932 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.146 -8.992 -13.017 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.718 -8.880 -12.190 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.820 -6.145 -13.662 1.00 0.00 N ATOM 1402 CA PRO A 85 -19.117 -5.435 -13.714 1.00 0.00 C ATOM 1403 C PRO A 85 -20.196 -6.253 -13.001 1.00 0.00 C ATOM 1404 O PRO A 85 -20.256 -7.460 -13.122 1.00 0.00 O ATOM 1405 CB PRO A 85 -19.407 -5.330 -15.207 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.645 -6.444 -15.831 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.447 -6.717 -14.955 1.00 0.00 C ATOM 0 HA PRO A 85 -19.098 -4.462 -13.222 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.474 -5.422 -15.408 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -19.090 -4.365 -15.603 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -19.268 -7.334 -15.918 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -18.330 -6.176 -16.840 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.245 -7.785 -14.876 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.546 -6.251 -15.353 1.00 0.00 H new ATOM 1415 N GLY A 86 -21.047 -5.603 -12.261 1.00 0.00 N ATOM 1416 CA GLY A 86 -22.123 -6.340 -11.540 1.00 0.00 C ATOM 1417 C GLY A 86 -21.834 -6.338 -10.035 1.00 0.00 C ATOM 1418 O GLY A 86 -22.695 -6.044 -9.231 1.00 0.00 O ATOM 0 H GLY A 86 -21.045 -4.592 -12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -23.089 -5.874 -11.735 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.183 -7.365 -11.907 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.631 -6.667 -9.647 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.298 -6.686 -8.191 1.00 0.00 C ATOM 1424 C GLN A 87 -19.685 -5.353 -7.760 1.00 0.00 C ATOM 1425 O GLN A 87 -19.466 -4.467 -8.561 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.282 -7.815 -8.016 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.151 -7.654 -9.035 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.212 -8.798 -10.049 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.197 -9.234 -10.551 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -19.369 -9.304 -10.376 1.00 0.00 N ATOM 0 H GLN A 87 -19.866 -6.923 -10.272 1.00 0.00 H new ATOM 0 HA GLN A 87 -21.188 -6.840 -7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.878 -7.800 -7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.770 -8.780 -8.150 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.241 -6.695 -9.546 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.187 -7.655 -8.527 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.223 -8.938 -9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -19.420 -10.065 -11.053 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.404 -5.211 -6.493 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.801 -3.941 -5.995 1.00 0.00 C ATOM 1441 C LYS A 88 -18.579 -4.022 -4.481 1.00 0.00 C ATOM 1442 O LYS A 88 -19.495 -3.853 -3.701 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.828 -2.859 -6.327 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.174 -3.221 -5.696 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.305 -2.869 -6.666 1.00 0.00 C ATOM 1446 CE LYS A 88 -22.647 -4.094 -7.518 1.00 0.00 C ATOM 1447 NZ LYS A 88 -23.862 -3.700 -8.285 1.00 0.00 N ATOM 0 H LYS A 88 -19.566 -5.921 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.832 -3.737 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.488 -1.893 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.935 -2.764 -7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.202 -4.285 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.304 -2.682 -4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -23.185 -2.541 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.004 -2.040 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -21.825 -4.353 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -22.839 -4.968 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -24.041 -4.398 -9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.680 -3.663 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.714 -2.763 -8.712 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.371 -4.279 -4.057 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.102 -4.368 -2.592 1.00 0.00 C ATOM 1463 C ILE A 89 -17.800 -3.218 -1.859 1.00 0.00 C ATOM 1464 O ILE A 89 -17.403 -2.074 -1.956 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.582 -4.259 -2.457 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.925 -5.420 -3.212 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.195 -4.324 -0.979 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.451 -5.529 -2.810 1.00 0.00 C ATOM 0 H ILE A 89 -16.561 -4.431 -4.659 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.478 -5.294 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.243 -3.312 -2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.443 -6.352 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.008 -5.261 -4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.112 -4.246 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.667 -3.501 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.530 -5.271 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.987 -6.355 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.937 -4.600 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.379 -5.709 -1.737 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.842 -3.517 -1.133 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.580 -2.449 -0.396 1.00 0.00 C ATOM 1482 C GLU A 90 -18.802 -2.010 0.849 1.00 0.00 C ATOM 1483 O GLU A 90 -19.103 -1.000 1.453 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.908 -3.093 0.004 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.609 -3.635 -1.243 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.271 -2.481 -1.999 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -21.737 -1.385 -1.953 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -23.301 -2.712 -2.611 1.00 0.00 O ATOM 0 H GLU A 90 -19.217 -4.459 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.720 -1.556 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.733 -3.900 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.544 -2.361 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.889 -4.140 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -22.358 -4.375 -0.960 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.813 -2.763 1.242 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.030 -2.388 2.457 1.00 0.00 C ATOM 1497 C ALA A 91 -16.484 -0.962 2.327 1.00 0.00 C ATOM 1498 O ALA A 91 -16.335 -0.256 3.304 1.00 0.00 O ATOM 1499 CB ALA A 91 -15.882 -3.396 2.511 1.00 0.00 C ATOM 0 H ALA A 91 -17.512 -3.620 0.777 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.640 -2.409 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.256 -3.189 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.287 -4.405 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.283 -3.314 1.604 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.188 -0.532 1.131 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.655 0.855 0.951 1.00 0.00 C ATOM 1507 C LEU A 92 -16.735 1.747 0.343 1.00 0.00 C ATOM 1508 O LEU A 92 -16.704 2.954 0.471 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.467 0.743 -0.020 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.876 -0.666 0.017 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.592 -0.706 -0.814 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.559 -1.044 1.465 1.00 0.00 C ATOM 0 H LEU A 92 -16.290 -1.075 0.273 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.350 1.290 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.794 0.980 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.702 1.472 0.247 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.595 -1.373 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.172 -1.711 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.818 -0.435 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.870 0.000 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.137 -2.049 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.840 -0.336 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.474 -1.017 2.057 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.686 1.159 -0.326 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.763 1.970 -0.953 1.00 0.00 C ATOM 1526 C GLU A 93 -19.368 2.935 0.070 1.00 0.00 C ATOM 1527 O GLU A 93 -19.748 4.043 -0.256 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.809 0.955 -1.414 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.330 0.278 -2.700 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.602 1.197 -3.892 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -20.651 1.819 -3.908 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -18.756 1.263 -4.769 1.00 0.00 O ATOM 0 H GLU A 93 -17.763 0.152 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.391 2.577 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.974 0.209 -0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.763 1.453 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.265 0.058 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.844 -0.673 -2.836 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.464 2.523 1.305 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.048 3.416 2.346 1.00 0.00 C ATOM 1541 C GLY A 94 -18.929 4.169 3.067 1.00 0.00 C ATOM 1542 O GLY A 94 -19.139 5.230 3.620 1.00 0.00 O ATOM 0 H GLY A 94 -19.163 1.607 1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.738 4.124 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.624 2.829 3.061 1.00 0.00 H new ATOM 1546 N LEU A 95 -17.740 3.631 3.066 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.610 4.319 3.754 1.00 0.00 C ATOM 1548 C LEU A 95 -16.641 5.820 3.449 1.00 0.00 C ATOM 1549 O LEU A 95 -16.176 6.631 4.226 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.347 3.680 3.177 1.00 0.00 C ATOM 1551 CG LEU A 95 -14.682 2.809 4.244 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.724 1.882 4.869 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.577 1.970 3.598 1.00 0.00 C ATOM 0 H LEU A 95 -17.502 2.746 2.619 1.00 0.00 H new ATOM 0 HA LEU A 95 -16.660 4.214 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.598 3.077 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.656 4.453 2.842 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.253 3.446 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.250 1.261 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.513 2.478 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.154 1.244 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.102 1.348 4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.008 1.333 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.833 2.630 3.151 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.185 6.195 2.324 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.246 7.643 1.970 1.00 0.00 C ATOM 1567 C ILE A 96 -17.836 8.447 3.133 1.00 0.00 C ATOM 1568 O ILE A 96 -18.197 7.837 4.126 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.163 7.714 0.749 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.478 7.039 -0.441 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.448 9.179 0.409 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -16.309 7.904 -0.916 1.00 0.00 C ATOM 1573 OXT ILE A 96 -17.917 9.658 3.009 1.00 0.00 O ATOM 0 H ILE A 96 -17.590 5.562 1.634 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.260 8.060 1.764 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.101 7.203 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -17.120 6.050 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.192 6.897 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.102 9.230 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.934 9.661 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.511 9.690 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -15.821 7.423 -1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -16.680 8.883 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -15.591 8.023 -0.104 1.00 0.00 H new TER 1585 ILE A 96