USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 842 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 38 ASN : amide:sc= -2.34 K(o=-1.3,f=-9.3!) USER MOD Set 1.2: A 42 THR OG1 : rot 94:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0149 (180deg=-0.168) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= -1.26 (180deg=-2.03) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= -0.895 (180deg=-1.79!) USER MOD Single : A 7 HIS : no HD1:sc= -0.489 X(o=-0.49,f=-0.25) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 171:sc= -2.26 (180deg=-2.52!) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 2.06 (180deg=0.214) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.171 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -12.3! C(o=-12!,f=-10!) USER MOD Single : A 36 MET CE :methyl -155:sc= -3.18 (180deg=-3.53!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= -0.0805 (180deg=-0.419) USER MOD Single : A 46 SER OG : rot -35:sc= 0.448 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -2.13 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -145:sc= 1.11 (180deg=-0.414) USER MOD Single : A 58 MET CE :methyl 151:sc= -0.105 (180deg=-1.04) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.344 (180deg=-1.48!) USER MOD Single : A 60 TYR OH : rot 130:sc= -0.225 USER MOD Single : A 62 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.268 K(o=-0.27,f=-2.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.85 K(o=-0.85,f=-2.5!) USER MOD Single : A 74 ASN : amide:sc=-0.00894 X(o=-0.0089,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.012 K(o=-0.012,f=-1.2) USER MOD Single : A 87 GLN : amide:sc= -0.712 K(o=-0.71,f=-3.6!) USER MOD Single : A 88 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.8!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc=-0.00777 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.310 10.275 -6.555 1.00 0.00 N ATOM 2 CA MET A 1 -13.612 11.196 -7.683 1.00 0.00 C ATOM 3 C MET A 1 -13.181 12.623 -7.360 1.00 0.00 C ATOM 4 O MET A 1 -12.755 13.367 -8.243 1.00 0.00 O ATOM 5 CB MET A 1 -15.115 11.149 -7.962 1.00 0.00 C ATOM 6 CG MET A 1 -15.474 11.426 -9.413 1.00 0.00 C ATOM 7 SD MET A 1 -15.538 9.928 -10.412 1.00 0.00 S ATOM 8 CE MET A 1 -15.394 10.613 -12.061 1.00 0.00 C ATOM 0 H1 MET A 1 -13.438 9.291 -6.866 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.327 10.415 -6.246 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.954 10.474 -5.763 1.00 0.00 H new ATOM 0 HA MET A 1 -13.056 10.877 -8.564 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.497 10.167 -7.683 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.617 11.879 -7.327 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.441 11.927 -9.454 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.742 12.111 -9.840 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.418 9.806 -12.794 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.224 11.295 -12.245 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.452 11.155 -12.149 1.00 0.00 H new ATOM 20 N LYS A 2 -13.294 12.997 -6.090 1.00 0.00 N ATOM 21 CA LYS A 2 -12.915 14.334 -5.651 1.00 0.00 C ATOM 22 C LYS A 2 -12.549 14.337 -4.171 1.00 0.00 C ATOM 23 O LYS A 2 -13.385 14.049 -3.312 1.00 0.00 O ATOM 24 CB LYS A 2 -14.056 15.320 -5.906 1.00 0.00 C ATOM 25 CG LYS A 2 -15.359 14.936 -5.222 1.00 0.00 C ATOM 26 CD LYS A 2 -15.780 15.977 -4.196 1.00 0.00 C ATOM 27 CE LYS A 2 -16.849 16.907 -4.749 1.00 0.00 C ATOM 28 NZ LYS A 2 -17.965 17.107 -3.784 1.00 0.00 N ATOM 0 H LYS A 2 -13.645 12.393 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.041 14.643 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.753 16.309 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.228 15.394 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.144 14.823 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.243 13.969 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.157 15.478 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.911 16.561 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.401 17.871 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.242 16.496 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.672 17.747 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.409 16.191 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.594 17.523 -2.906 1.00 0.00 H new ATOM 42 N LYS A 3 -11.293 14.662 -3.877 1.00 0.00 N ATOM 43 CA LYS A 3 -10.815 14.702 -2.501 1.00 0.00 C ATOM 44 C LYS A 3 -10.915 13.326 -1.850 1.00 0.00 C ATOM 45 O LYS A 3 -12.009 12.795 -1.661 1.00 0.00 O ATOM 46 CB LYS A 3 -11.614 15.724 -1.689 1.00 0.00 C ATOM 47 CG LYS A 3 -10.899 17.056 -1.515 1.00 0.00 C ATOM 48 CD LYS A 3 -11.639 18.186 -2.217 1.00 0.00 C ATOM 49 CE LYS A 3 -12.923 18.547 -1.489 1.00 0.00 C ATOM 50 NZ LYS A 3 -14.129 18.040 -2.201 1.00 0.00 N ATOM 0 H LYS A 3 -10.589 14.901 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.767 15.001 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.572 15.897 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.830 15.306 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.808 17.285 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.887 16.981 -1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.994 19.063 -2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.870 17.890 -3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.897 18.134 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.990 19.630 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.969 18.559 -1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.012 18.180 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.249 17.026 -2.001 1.00 0.00 H new ATOM 64 N LEU A 4 -9.765 12.752 -1.510 1.00 0.00 N ATOM 65 CA LEU A 4 -9.723 11.438 -0.881 1.00 0.00 C ATOM 66 C LEU A 4 -9.203 11.537 0.550 1.00 0.00 C ATOM 67 O LEU A 4 -8.674 12.570 0.959 1.00 0.00 O ATOM 68 CB LEU A 4 -8.841 10.487 -1.693 1.00 0.00 C ATOM 69 CG LEU A 4 -7.418 10.990 -1.956 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.406 10.163 -1.177 1.00 0.00 C ATOM 71 CD2 LEU A 4 -7.105 10.954 -3.445 1.00 0.00 C ATOM 0 H LEU A 4 -8.850 13.177 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.739 11.044 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.782 9.533 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.325 10.295 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.351 12.023 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.401 10.535 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.617 10.241 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.474 9.120 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.090 11.315 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.191 9.931 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.809 11.591 -3.980 1.00 0.00 H new ATOM 83 N LYS A 5 -9.357 10.455 1.306 1.00 0.00 N ATOM 84 CA LYS A 5 -8.903 10.421 2.692 1.00 0.00 C ATOM 85 C LYS A 5 -7.381 10.460 2.767 1.00 0.00 C ATOM 86 O LYS A 5 -6.708 9.480 2.445 1.00 0.00 O ATOM 87 CB LYS A 5 -9.429 9.164 3.390 1.00 0.00 C ATOM 88 CG LYS A 5 -10.945 9.052 3.379 1.00 0.00 C ATOM 89 CD LYS A 5 -11.397 7.635 3.065 1.00 0.00 C ATOM 90 CE LYS A 5 -12.614 7.628 2.152 1.00 0.00 C ATOM 91 NZ LYS A 5 -12.765 6.329 1.438 1.00 0.00 N ATOM 0 H LYS A 5 -9.792 9.591 0.983 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.295 11.302 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.004 8.285 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.080 9.159 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.340 9.355 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.356 9.739 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.582 7.089 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.633 7.113 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.510 7.825 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.526 8.434 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.605 6.365 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.921 6.152 0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.874 5.562 2.132 1.00 0.00 H new ATOM 105 N LYS A 6 -6.843 11.597 3.195 1.00 0.00 N ATOM 106 CA LYS A 6 -5.399 11.764 3.314 1.00 0.00 C ATOM 107 C LYS A 6 -5.055 13.130 3.894 1.00 0.00 C ATOM 108 O LYS A 6 -5.076 14.140 3.189 1.00 0.00 O ATOM 109 CB LYS A 6 -4.731 11.594 1.947 1.00 0.00 C ATOM 110 CG LYS A 6 -3.294 11.110 2.029 1.00 0.00 C ATOM 111 CD LYS A 6 -2.814 10.560 0.697 1.00 0.00 C ATOM 112 CE LYS A 6 -2.407 11.677 -0.252 1.00 0.00 C ATOM 113 NZ LYS A 6 -3.539 12.109 -1.117 1.00 0.00 N ATOM 0 H LYS A 6 -7.386 12.417 3.465 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.024 10.997 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.311 10.887 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.755 12.547 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.649 11.933 2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.212 10.337 2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.967 9.894 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.605 9.964 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.044 12.529 0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.580 11.339 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.394 13.096 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.585 11.500 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.430 12.033 -0.586 1.00 0.00 H new ATOM 127 N HIS A 7 -4.739 13.157 5.186 1.00 0.00 N ATOM 128 CA HIS A 7 -4.389 14.400 5.861 1.00 0.00 C ATOM 129 C HIS A 7 -2.873 14.569 5.943 1.00 0.00 C ATOM 130 O HIS A 7 -2.120 13.654 5.609 1.00 0.00 O ATOM 131 CB HIS A 7 -4.996 14.428 7.267 1.00 0.00 C ATOM 132 CG HIS A 7 -6.198 15.313 7.381 1.00 0.00 C ATOM 133 ND1 HIS A 7 -7.075 15.257 8.444 1.00 0.00 N ATOM 134 CD2 HIS A 7 -6.668 16.282 6.559 1.00 0.00 C ATOM 135 CE1 HIS A 7 -8.033 16.151 8.269 1.00 0.00 C ATOM 136 NE2 HIS A 7 -7.808 16.786 7.133 1.00 0.00 N ATOM 0 H HIS A 7 -4.719 12.332 5.785 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.796 15.228 5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.273 13.414 7.555 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.238 14.765 7.975 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.227 16.599 5.625 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.859 16.331 8.941 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.388 17.530 6.745 1.00 0.00 H new ATOM 145 N PRO A 8 -2.404 15.746 6.391 1.00 0.00 N ATOM 146 CA PRO A 8 -0.971 16.029 6.515 1.00 0.00 C ATOM 147 C PRO A 8 -0.234 14.953 7.306 1.00 0.00 C ATOM 148 O PRO A 8 -0.822 14.283 8.153 1.00 0.00 O ATOM 149 CB PRO A 8 -0.934 17.364 7.264 1.00 0.00 C ATOM 150 CG PRO A 8 -2.237 18.011 6.947 1.00 0.00 C ATOM 151 CD PRO A 8 -3.233 16.893 6.812 1.00 0.00 C ATOM 0 HA PRO A 8 -0.476 16.057 5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.818 17.213 8.337 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.096 17.979 6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.531 18.703 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.172 18.589 6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.745 16.695 7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.001 17.126 6.075 1.00 0.00 H new ATOM 159 N ASP A 9 1.055 14.795 7.023 1.00 0.00 N ATOM 160 CA ASP A 9 1.871 13.800 7.709 1.00 0.00 C ATOM 161 C ASP A 9 1.342 12.393 7.450 1.00 0.00 C ATOM 162 O ASP A 9 0.152 12.203 7.202 1.00 0.00 O ATOM 163 CB ASP A 9 1.900 14.079 9.213 1.00 0.00 C ATOM 164 CG ASP A 9 2.432 15.462 9.534 1.00 0.00 C ATOM 165 OD1 ASP A 9 2.311 16.360 8.674 1.00 0.00 O ATOM 166 OD2 ASP A 9 2.968 15.649 10.647 1.00 0.00 O ATOM 0 H ASP A 9 1.557 15.343 6.324 1.00 0.00 H new ATOM 0 HA ASP A 9 2.886 13.866 7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.893 13.977 9.618 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.520 13.331 9.707 1.00 0.00 H new ATOM 171 N PHE A 10 2.234 11.410 7.509 1.00 0.00 N ATOM 172 CA PHE A 10 1.856 10.020 7.278 1.00 0.00 C ATOM 173 C PHE A 10 1.253 9.846 5.886 1.00 0.00 C ATOM 174 O PHE A 10 0.035 9.737 5.736 1.00 0.00 O ATOM 175 CB PHE A 10 0.857 9.560 8.343 1.00 0.00 C ATOM 176 CG PHE A 10 1.499 8.857 9.504 1.00 0.00 C ATOM 177 CD1 PHE A 10 2.148 7.646 9.326 1.00 0.00 C ATOM 178 CD2 PHE A 10 1.453 9.406 10.776 1.00 0.00 C ATOM 179 CE1 PHE A 10 2.740 6.995 10.393 1.00 0.00 C ATOM 180 CE2 PHE A 10 2.042 8.762 11.846 1.00 0.00 C ATOM 181 CZ PHE A 10 2.687 7.555 11.655 1.00 0.00 C ATOM 0 H PHE A 10 3.223 11.550 7.715 1.00 0.00 H new ATOM 0 HA PHE A 10 2.754 9.406 7.344 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.307 10.426 8.712 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.129 8.893 7.882 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.192 7.205 8.341 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.950 10.349 10.932 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.242 6.051 10.240 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.999 9.201 12.832 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.149 7.050 12.491 1.00 0.00 H new ATOM 191 N PRO A 11 2.102 9.819 4.844 1.00 0.00 N ATOM 192 CA PRO A 11 1.647 9.659 3.461 1.00 0.00 C ATOM 193 C PRO A 11 1.156 8.246 3.169 1.00 0.00 C ATOM 194 O PRO A 11 1.945 7.303 3.102 1.00 0.00 O ATOM 195 CB PRO A 11 2.897 9.971 2.638 1.00 0.00 C ATOM 196 CG PRO A 11 4.034 9.631 3.536 1.00 0.00 C ATOM 197 CD PRO A 11 3.570 9.943 4.934 1.00 0.00 C ATOM 0 HA PRO A 11 0.799 10.305 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.926 9.381 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.925 11.020 2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.305 8.579 3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.920 10.213 3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.988 9.246 5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.870 10.944 5.243 1.00 0.00 H new ATOM 205 N LYS A 12 -0.153 8.106 2.992 1.00 0.00 N ATOM 206 CA LYS A 12 -0.753 6.809 2.702 1.00 0.00 C ATOM 207 C LYS A 12 -1.458 6.834 1.350 1.00 0.00 C ATOM 208 O LYS A 12 -2.278 7.714 1.084 1.00 0.00 O ATOM 209 CB LYS A 12 -1.747 6.426 3.801 1.00 0.00 C ATOM 210 CG LYS A 12 -1.138 5.568 4.899 1.00 0.00 C ATOM 211 CD LYS A 12 -2.205 4.801 5.662 1.00 0.00 C ATOM 212 CE LYS A 12 -3.177 5.741 6.357 1.00 0.00 C ATOM 213 NZ LYS A 12 -4.575 5.230 6.310 1.00 0.00 N ATOM 0 H LYS A 12 -0.820 8.876 3.044 1.00 0.00 H new ATOM 0 HA LYS A 12 0.042 6.064 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.154 7.335 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.583 5.889 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.427 4.867 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.579 6.200 5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.751 4.154 4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.732 4.154 6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.874 5.873 7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.133 6.722 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.206 5.900 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.874 5.128 5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.623 4.305 6.783 1.00 0.00 H new ATOM 227 N LYS A 13 -1.137 5.866 0.499 1.00 0.00 N ATOM 228 CA LYS A 13 -1.745 5.787 -0.824 1.00 0.00 C ATOM 229 C LYS A 13 -1.549 4.402 -1.442 1.00 0.00 C ATOM 230 O LYS A 13 -2.519 3.680 -1.668 1.00 0.00 O ATOM 231 CB LYS A 13 -1.166 6.866 -1.744 1.00 0.00 C ATOM 232 CG LYS A 13 -2.220 7.793 -2.326 1.00 0.00 C ATOM 233 CD LYS A 13 -2.166 7.819 -3.846 1.00 0.00 C ATOM 234 CE LYS A 13 -3.534 8.098 -4.450 1.00 0.00 C ATOM 235 NZ LYS A 13 -3.917 7.069 -5.457 1.00 0.00 N ATOM 0 H LYS A 13 -0.462 5.128 0.700 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.816 5.958 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.441 7.458 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.625 6.386 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.209 7.469 -2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.072 8.801 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.461 8.583 -4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.793 6.863 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.282 8.126 -3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.530 9.082 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.855 7.295 -5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.217 7.059 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.946 6.134 -5.004 1.00 0.00 H new ATOM 249 N PRO A 14 -0.295 4.009 -1.728 1.00 0.00 N ATOM 250 CA PRO A 14 -0.002 2.706 -2.325 1.00 0.00 C ATOM 251 C PRO A 14 -0.655 1.560 -1.561 1.00 0.00 C ATOM 252 O PRO A 14 -1.231 1.760 -0.491 1.00 0.00 O ATOM 253 CB PRO A 14 1.527 2.590 -2.256 1.00 0.00 C ATOM 254 CG PRO A 14 1.986 3.723 -1.400 1.00 0.00 C ATOM 255 CD PRO A 14 0.932 4.788 -1.505 1.00 0.00 C ATOM 0 HA PRO A 14 -0.393 2.639 -3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.827 1.633 -1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.968 2.649 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.112 3.402 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.952 4.098 -1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.871 5.388 -0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.131 5.474 -2.328 1.00 0.00 H new ATOM 263 N LEU A 15 -0.561 0.361 -2.121 1.00 0.00 N ATOM 264 CA LEU A 15 -1.141 -0.822 -1.497 1.00 0.00 C ATOM 265 C LEU A 15 -0.049 -1.740 -0.965 1.00 0.00 C ATOM 266 O LEU A 15 1.140 -1.464 -1.127 1.00 0.00 O ATOM 267 CB LEU A 15 -2.015 -1.580 -2.500 1.00 0.00 C ATOM 268 CG LEU A 15 -3.162 -0.769 -3.106 1.00 0.00 C ATOM 269 CD1 LEU A 15 -3.274 -1.036 -4.599 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.474 -1.096 -2.405 1.00 0.00 C ATOM 0 H LEU A 15 -0.088 0.181 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.761 -0.496 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.381 -1.943 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.433 -2.456 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.949 0.290 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.095 -0.451 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.343 -0.753 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.464 -2.096 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.279 -0.510 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.692 -2.158 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.391 -0.854 -1.345 1.00 0.00 H new ATOM 282 N THR A 16 -0.457 -2.836 -0.339 1.00 0.00 N ATOM 283 CA THR A 16 0.490 -3.798 0.210 1.00 0.00 C ATOM 284 C THR A 16 0.579 -5.033 -0.686 1.00 0.00 C ATOM 285 O THR A 16 -0.357 -5.345 -1.422 1.00 0.00 O ATOM 286 CB THR A 16 0.099 -4.201 1.639 1.00 0.00 C ATOM 287 OG1 THR A 16 0.608 -5.483 1.960 1.00 0.00 O ATOM 288 CG2 THR A 16 -1.395 -4.232 1.877 1.00 0.00 C ATOM 0 H THR A 16 -1.437 -3.081 -0.199 1.00 0.00 H new ATOM 0 HA THR A 16 1.470 -3.323 0.247 1.00 0.00 H new ATOM 0 HB THR A 16 0.533 -3.430 2.275 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.348 -5.718 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.593 -4.525 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.813 -3.242 1.694 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.856 -4.951 1.200 1.00 0.00 H new ATOM 296 N PRO A 17 1.714 -5.749 -0.635 1.00 0.00 N ATOM 297 CA PRO A 17 1.938 -6.952 -1.440 1.00 0.00 C ATOM 298 C PRO A 17 0.726 -7.880 -1.458 1.00 0.00 C ATOM 299 O PRO A 17 0.247 -8.267 -2.524 1.00 0.00 O ATOM 300 CB PRO A 17 3.137 -7.633 -0.755 1.00 0.00 C ATOM 301 CG PRO A 17 3.430 -6.820 0.467 1.00 0.00 C ATOM 302 CD PRO A 17 2.873 -5.454 0.205 1.00 0.00 C ATOM 0 HA PRO A 17 2.117 -6.708 -2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.902 -8.664 -0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.000 -7.664 -1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.970 -7.265 1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.503 -6.773 0.655 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.589 -4.946 1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.592 -4.812 -0.304 1.00 0.00 H new ATOM 310 N TYR A 18 0.227 -8.228 -0.277 1.00 0.00 N ATOM 311 CA TYR A 18 -0.934 -9.104 -0.169 1.00 0.00 C ATOM 312 C TYR A 18 -2.125 -8.502 -0.911 1.00 0.00 C ATOM 313 O TYR A 18 -2.944 -9.224 -1.480 1.00 0.00 O ATOM 314 CB TYR A 18 -1.293 -9.337 1.302 1.00 0.00 C ATOM 315 CG TYR A 18 -2.529 -10.188 1.504 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.793 -11.274 0.678 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.432 -9.905 2.521 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.919 -12.054 0.861 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.561 -10.680 2.710 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.800 -11.753 1.877 1.00 0.00 C ATOM 321 OH TYR A 18 -5.923 -12.525 2.062 1.00 0.00 O ATOM 0 H TYR A 18 0.607 -7.918 0.617 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.686 -10.063 -0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.449 -9.815 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.445 -8.372 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.106 -11.513 -0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.249 -9.065 3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.108 -12.895 0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.253 -10.446 3.506 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.437 -12.178 2.821 1.00 0.00 H new ATOM 331 N PHE A 19 -2.208 -7.174 -0.908 1.00 0.00 N ATOM 332 CA PHE A 19 -3.290 -6.475 -1.588 1.00 0.00 C ATOM 333 C PHE A 19 -3.121 -6.579 -3.100 1.00 0.00 C ATOM 334 O PHE A 19 -4.029 -7.008 -3.809 1.00 0.00 O ATOM 335 CB PHE A 19 -3.333 -5.005 -1.163 1.00 0.00 C ATOM 336 CG PHE A 19 -4.485 -4.677 -0.256 1.00 0.00 C ATOM 337 CD1 PHE A 19 -4.503 -5.126 1.055 1.00 0.00 C ATOM 338 CD2 PHE A 19 -5.550 -3.920 -0.716 1.00 0.00 C ATOM 339 CE1 PHE A 19 -5.562 -4.826 1.890 1.00 0.00 C ATOM 340 CE2 PHE A 19 -6.612 -3.616 0.115 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.618 -4.070 1.419 1.00 0.00 C ATOM 0 H PHE A 19 -1.538 -6.562 -0.442 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.232 -6.945 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.400 -4.754 -0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.392 -4.379 -2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.680 -5.717 1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.551 -3.563 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.564 -5.182 2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.436 -3.024 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.447 -3.834 2.070 1.00 0.00 H new ATOM 351 N ARG A 20 -1.942 -6.198 -3.585 1.00 0.00 N ATOM 352 CA ARG A 20 -1.647 -6.265 -5.011 1.00 0.00 C ATOM 353 C ARG A 20 -1.770 -7.703 -5.511 1.00 0.00 C ATOM 354 O ARG A 20 -1.955 -7.943 -6.701 1.00 0.00 O ATOM 355 CB ARG A 20 -0.236 -5.744 -5.295 1.00 0.00 C ATOM 356 CG ARG A 20 0.048 -4.378 -4.694 1.00 0.00 C ATOM 357 CD ARG A 20 1.542 -4.138 -4.550 1.00 0.00 C ATOM 358 NE ARG A 20 2.257 -4.368 -5.805 1.00 0.00 N ATOM 359 CZ ARG A 20 2.279 -3.502 -6.815 1.00 0.00 C ATOM 360 NH1 ARG A 20 1.632 -2.347 -6.722 1.00 0.00 N ATOM 361 NH2 ARG A 20 2.950 -3.793 -7.921 1.00 0.00 N ATOM 0 H ARG A 20 -1.178 -5.841 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.368 -5.639 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.490 -6.459 -4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.088 -5.693 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.388 -3.603 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.431 -4.301 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.714 -3.115 -4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.942 -4.796 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 20 2.769 -5.244 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.114 -2.119 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.652 -1.687 -7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.448 -4.680 -7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.968 -3.130 -8.696 1.00 0.00 H new ATOM 375 N PHE A 21 -1.661 -8.648 -4.583 1.00 0.00 N ATOM 376 CA PHE A 21 -1.751 -10.068 -4.900 1.00 0.00 C ATOM 377 C PHE A 21 -3.206 -10.530 -4.908 1.00 0.00 C ATOM 378 O PHE A 21 -3.611 -11.348 -5.742 1.00 0.00 O ATOM 379 CB PHE A 21 -0.960 -10.864 -3.862 1.00 0.00 C ATOM 380 CG PHE A 21 -0.481 -12.200 -4.345 1.00 0.00 C ATOM 381 CD1 PHE A 21 0.724 -12.316 -5.016 1.00 0.00 C ATOM 382 CD2 PHE A 21 -1.229 -13.341 -4.116 1.00 0.00 C ATOM 383 CE1 PHE A 21 1.175 -13.545 -5.452 1.00 0.00 C ATOM 384 CE2 PHE A 21 -0.786 -14.575 -4.550 1.00 0.00 C ATOM 385 CZ PHE A 21 0.418 -14.678 -5.220 1.00 0.00 C ATOM 0 H PHE A 21 -1.508 -8.452 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.334 -10.236 -5.893 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.099 -10.274 -3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.584 -11.011 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.319 -11.434 -5.201 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.170 -13.266 -3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.118 -13.622 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.380 -15.458 -4.366 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.767 -15.641 -5.562 1.00 0.00 H new ATOM 395 N PHE A 22 -3.986 -9.989 -3.980 1.00 0.00 N ATOM 396 CA PHE A 22 -5.395 -10.328 -3.865 1.00 0.00 C ATOM 397 C PHE A 22 -6.176 -9.609 -4.951 1.00 0.00 C ATOM 398 O PHE A 22 -7.012 -10.196 -5.638 1.00 0.00 O ATOM 399 CB PHE A 22 -5.895 -9.933 -2.467 1.00 0.00 C ATOM 400 CG PHE A 22 -7.391 -9.933 -2.298 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.168 -8.940 -2.871 1.00 0.00 C ATOM 402 CD2 PHE A 22 -8.013 -10.918 -1.548 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.539 -8.932 -2.703 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.383 -10.914 -1.374 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.148 -9.921 -1.953 1.00 0.00 C ATOM 0 H PHE A 22 -3.661 -9.309 -3.293 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.539 -11.401 -3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.463 -10.618 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.519 -8.937 -2.232 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.697 -8.164 -3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.420 -11.698 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.135 -8.154 -3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.855 -11.687 -0.786 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.220 -9.917 -1.820 1.00 0.00 H new ATOM 415 N MET A 23 -5.869 -8.331 -5.100 1.00 0.00 N ATOM 416 CA MET A 23 -6.500 -7.487 -6.095 1.00 0.00 C ATOM 417 C MET A 23 -6.117 -7.927 -7.513 1.00 0.00 C ATOM 418 O MET A 23 -6.836 -7.655 -8.475 1.00 0.00 O ATOM 419 CB MET A 23 -6.095 -6.031 -5.822 1.00 0.00 C ATOM 420 CG MET A 23 -4.997 -5.472 -6.725 1.00 0.00 C ATOM 421 SD MET A 23 -5.572 -4.119 -7.770 1.00 0.00 S ATOM 422 CE MET A 23 -6.824 -4.947 -8.747 1.00 0.00 C ATOM 0 H MET A 23 -5.172 -7.850 -4.531 1.00 0.00 H new ATOM 0 HA MET A 23 -7.584 -7.577 -6.026 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.979 -5.402 -5.923 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.764 -5.953 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.169 -5.122 -6.108 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.609 -6.272 -7.355 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.380 -4.210 -9.326 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.347 -5.656 -9.424 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.508 -5.480 -8.086 1.00 0.00 H new ATOM 432 N GLU A 24 -4.974 -8.601 -7.630 1.00 0.00 N ATOM 433 CA GLU A 24 -4.483 -9.069 -8.924 1.00 0.00 C ATOM 434 C GLU A 24 -5.282 -10.264 -9.432 1.00 0.00 C ATOM 435 O GLU A 24 -5.751 -10.270 -10.569 1.00 0.00 O ATOM 436 CB GLU A 24 -3.007 -9.460 -8.818 1.00 0.00 C ATOM 437 CG GLU A 24 -2.059 -8.424 -9.391 1.00 0.00 C ATOM 438 CD GLU A 24 -0.619 -8.658 -8.980 1.00 0.00 C ATOM 439 OE1 GLU A 24 -0.145 -9.807 -9.104 1.00 0.00 O ATOM 440 OE2 GLU A 24 0.035 -7.693 -8.532 1.00 0.00 O ATOM 0 H GLU A 24 -4.370 -8.835 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.602 -8.249 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.759 -9.626 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.853 -10.407 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.129 -8.436 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.370 -7.432 -9.063 1.00 0.00 H new ATOM 447 N LYS A 25 -5.404 -11.287 -8.593 1.00 0.00 N ATOM 448 CA LYS A 25 -6.116 -12.499 -8.977 1.00 0.00 C ATOM 449 C LYS A 25 -7.624 -12.369 -8.804 1.00 0.00 C ATOM 450 O LYS A 25 -8.373 -13.270 -9.178 1.00 0.00 O ATOM 451 CB LYS A 25 -5.596 -13.684 -8.177 1.00 0.00 C ATOM 452 CG LYS A 25 -4.226 -14.140 -8.632 1.00 0.00 C ATOM 453 CD LYS A 25 -3.212 -14.096 -7.500 1.00 0.00 C ATOM 454 CE LYS A 25 -1.898 -14.750 -7.903 1.00 0.00 C ATOM 455 NZ LYS A 25 -0.773 -13.773 -7.921 1.00 0.00 N ATOM 0 H LYS A 25 -5.021 -11.301 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.929 -12.661 -10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.553 -13.414 -7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.298 -14.513 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.292 -15.156 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.885 -13.506 -9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.031 -13.060 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.619 -14.603 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.666 -15.557 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.004 -15.200 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.082 -14.053 -8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.140 -12.825 -8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.311 -13.758 -6.989 1.00 0.00 H new ATOM 469 N ARG A 26 -8.072 -11.247 -8.257 1.00 0.00 N ATOM 470 CA ARG A 26 -9.502 -11.029 -8.069 1.00 0.00 C ATOM 471 C ARG A 26 -10.219 -11.194 -9.399 1.00 0.00 C ATOM 472 O ARG A 26 -11.359 -11.657 -9.454 1.00 0.00 O ATOM 473 CB ARG A 26 -9.783 -9.635 -7.494 1.00 0.00 C ATOM 474 CG ARG A 26 -9.821 -9.556 -5.969 1.00 0.00 C ATOM 475 CD ARG A 26 -10.077 -10.905 -5.303 1.00 0.00 C ATOM 476 NE ARG A 26 -11.314 -11.533 -5.759 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.528 -11.033 -5.540 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.682 -9.926 -4.825 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.597 -11.653 -6.022 1.00 0.00 N ATOM 0 H ARG A 26 -7.476 -10.482 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.871 -11.767 -7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.019 -8.948 -7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.739 -9.285 -7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.874 -9.154 -5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.600 -8.856 -5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.239 -11.571 -5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.120 -10.770 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.243 -12.409 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.866 -9.451 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.616 -9.550 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.489 -12.513 -6.560 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.527 -11.270 -5.854 1.00 0.00 H new ATOM 493 N ALA A 27 -9.526 -10.835 -10.471 1.00 0.00 N ATOM 494 CA ALA A 27 -10.073 -10.965 -11.810 1.00 0.00 C ATOM 495 C ALA A 27 -10.248 -12.436 -12.148 1.00 0.00 C ATOM 496 O ALA A 27 -11.205 -12.830 -12.813 1.00 0.00 O ATOM 497 CB ALA A 27 -9.149 -10.304 -12.818 1.00 0.00 C ATOM 0 H ALA A 27 -8.582 -10.451 -10.437 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.043 -10.470 -11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.569 -10.407 -13.819 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.044 -9.246 -12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.171 -10.783 -12.784 1.00 0.00 H new ATOM 503 N LYS A 28 -9.303 -13.238 -11.673 1.00 0.00 N ATOM 504 CA LYS A 28 -9.326 -14.677 -11.904 1.00 0.00 C ATOM 505 C LYS A 28 -10.224 -15.393 -10.893 1.00 0.00 C ATOM 506 O LYS A 28 -10.554 -16.566 -11.066 1.00 0.00 O ATOM 507 CB LYS A 28 -7.907 -15.246 -11.831 1.00 0.00 C ATOM 508 CG LYS A 28 -7.251 -15.432 -13.191 1.00 0.00 C ATOM 509 CD LYS A 28 -8.064 -16.351 -14.092 1.00 0.00 C ATOM 510 CE LYS A 28 -8.389 -17.671 -13.407 1.00 0.00 C ATOM 511 NZ LYS A 28 -8.881 -18.692 -14.373 1.00 0.00 N ATOM 0 H LYS A 28 -8.507 -12.914 -11.123 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.735 -14.847 -12.900 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.289 -14.581 -11.228 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.937 -16.207 -11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.134 -14.462 -13.673 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.251 -15.845 -13.058 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.990 -15.853 -14.379 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.509 -16.545 -15.010 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.499 -18.047 -12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.144 -17.505 -12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.091 -19.576 -13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.745 -18.344 -14.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.151 -18.870 -15.092 1.00 0.00 H new ATOM 525 N TYR A 29 -10.613 -14.683 -9.836 1.00 0.00 N ATOM 526 CA TYR A 29 -11.466 -15.256 -8.801 1.00 0.00 C ATOM 527 C TYR A 29 -12.913 -14.827 -8.983 1.00 0.00 C ATOM 528 O TYR A 29 -13.832 -15.615 -8.776 1.00 0.00 O ATOM 529 CB TYR A 29 -10.982 -14.830 -7.419 1.00 0.00 C ATOM 530 CG TYR A 29 -9.704 -15.498 -6.995 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.617 -16.878 -6.882 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.584 -14.743 -6.705 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.441 -17.487 -6.492 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.407 -15.338 -6.317 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.336 -16.711 -6.210 1.00 0.00 C ATOM 536 OH TYR A 29 -6.160 -17.307 -5.819 1.00 0.00 O ATOM 0 H TYR A 29 -10.350 -13.711 -9.675 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.410 -16.341 -8.888 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.837 -13.750 -7.411 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.758 -15.053 -6.687 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.483 -17.485 -7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.634 -13.667 -6.784 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.387 -18.562 -6.408 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.541 -14.732 -6.097 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.427 -16.661 -5.890 1.00 0.00 H new ATOM 546 N ALA A 30 -13.106 -13.581 -9.395 1.00 0.00 N ATOM 547 CA ALA A 30 -14.441 -13.051 -9.622 1.00 0.00 C ATOM 548 C ALA A 30 -15.167 -13.915 -10.634 1.00 0.00 C ATOM 549 O ALA A 30 -16.396 -13.967 -10.677 1.00 0.00 O ATOM 550 CB ALA A 30 -14.363 -11.605 -10.084 1.00 0.00 C ATOM 0 H ALA A 30 -12.352 -12.919 -9.579 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.003 -13.070 -8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.370 -11.221 -10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.867 -11.005 -9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.796 -11.550 -11.013 1.00 0.00 H new ATOM 556 N LYS A 31 -14.374 -14.614 -11.429 1.00 0.00 N ATOM 557 CA LYS A 31 -14.878 -15.518 -12.436 1.00 0.00 C ATOM 558 C LYS A 31 -14.918 -16.939 -11.877 1.00 0.00 C ATOM 559 O LYS A 31 -15.662 -17.796 -12.353 1.00 0.00 O ATOM 560 CB LYS A 31 -13.960 -15.444 -13.648 1.00 0.00 C ATOM 561 CG LYS A 31 -14.686 -15.121 -14.942 1.00 0.00 C ATOM 562 CD LYS A 31 -14.626 -13.634 -15.263 1.00 0.00 C ATOM 563 CE LYS A 31 -13.873 -13.372 -16.558 1.00 0.00 C ATOM 564 NZ LYS A 31 -14.788 -13.321 -17.732 1.00 0.00 N ATOM 0 H LYS A 31 -13.356 -14.566 -11.389 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.890 -15.239 -12.728 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.198 -14.686 -13.470 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.442 -16.397 -13.760 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.242 -15.688 -15.760 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.727 -15.435 -14.864 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.638 -13.237 -15.343 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.139 -13.104 -14.444 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.331 -12.429 -16.479 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.130 -14.155 -16.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.236 -13.141 -18.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.286 -14.229 -17.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.481 -12.557 -17.599 1.00 0.00 H new ATOM 578 N LEU A 32 -14.094 -17.163 -10.858 1.00 0.00 N ATOM 579 CA LEU A 32 -13.985 -18.454 -10.195 1.00 0.00 C ATOM 580 C LEU A 32 -15.232 -18.786 -9.384 1.00 0.00 C ATOM 581 O LEU A 32 -15.601 -19.952 -9.258 1.00 0.00 O ATOM 582 CB LEU A 32 -12.763 -18.449 -9.272 1.00 0.00 C ATOM 583 CG LEU A 32 -12.569 -19.704 -8.415 1.00 0.00 C ATOM 584 CD1 LEU A 32 -13.420 -19.627 -7.156 1.00 0.00 C ATOM 585 CD2 LEU A 32 -12.902 -20.959 -9.206 1.00 0.00 C ATOM 0 H LEU A 32 -13.480 -16.448 -10.468 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.877 -19.217 -10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.871 -18.307 -9.882 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.836 -17.587 -8.609 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.520 -19.755 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.269 -20.527 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.130 -18.753 -6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.471 -19.546 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.756 -21.836 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.940 -20.917 -9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.248 -21.025 -10.076 1.00 0.00 H new ATOM 597 N HIS A 33 -15.870 -17.767 -8.821 1.00 0.00 N ATOM 598 CA HIS A 33 -17.064 -17.991 -8.008 1.00 0.00 C ATOM 599 C HIS A 33 -18.340 -17.598 -8.744 1.00 0.00 C ATOM 600 O HIS A 33 -18.910 -16.536 -8.494 1.00 0.00 O ATOM 601 CB HIS A 33 -16.975 -17.234 -6.678 1.00 0.00 C ATOM 602 CG HIS A 33 -16.898 -15.750 -6.825 1.00 0.00 C ATOM 603 ND1 HIS A 33 -17.998 -14.924 -6.727 1.00 0.00 N ATOM 604 CD2 HIS A 33 -15.838 -14.940 -7.034 1.00 0.00 C ATOM 605 CE1 HIS A 33 -17.616 -13.669 -6.870 1.00 0.00 C ATOM 606 NE2 HIS A 33 -16.309 -13.648 -7.055 1.00 0.00 N ATOM 0 H HIS A 33 -15.588 -16.791 -8.909 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.109 -19.061 -7.805 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -17.845 -17.484 -6.071 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.097 -17.580 -6.133 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -18.957 -15.234 -6.569 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -14.811 -15.249 -7.161 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -18.263 -12.805 -6.841 1.00 0.00 H new ATOM 615 N PRO A 34 -18.823 -18.463 -9.650 1.00 0.00 N ATOM 616 CA PRO A 34 -20.055 -18.208 -10.399 1.00 0.00 C ATOM 617 C PRO A 34 -21.284 -18.316 -9.503 1.00 0.00 C ATOM 618 O PRO A 34 -22.340 -17.766 -9.809 1.00 0.00 O ATOM 619 CB PRO A 34 -20.062 -19.311 -11.457 1.00 0.00 C ATOM 620 CG PRO A 34 -19.283 -20.422 -10.846 1.00 0.00 C ATOM 621 CD PRO A 34 -18.225 -19.768 -10.000 1.00 0.00 C ATOM 0 HA PRO A 34 -20.087 -17.204 -10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -21.078 -19.624 -11.696 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.606 -18.971 -12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.925 -21.063 -10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.835 -21.053 -11.614 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.000 -20.358 -9.111 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.290 -19.648 -10.548 1.00 0.00 H new ATOM 629 N GLU A 35 -21.132 -19.031 -8.387 1.00 0.00 N ATOM 630 CA GLU A 35 -22.225 -19.213 -7.440 1.00 0.00 C ATOM 631 C GLU A 35 -21.705 -19.322 -6.007 1.00 0.00 C ATOM 632 O GLU A 35 -22.385 -19.859 -5.132 1.00 0.00 O ATOM 633 CB GLU A 35 -23.035 -20.463 -7.796 1.00 0.00 C ATOM 634 CG GLU A 35 -23.677 -20.402 -9.172 1.00 0.00 C ATOM 635 CD GLU A 35 -24.313 -21.717 -9.577 1.00 0.00 C ATOM 636 OE1 GLU A 35 -25.468 -21.968 -9.170 1.00 0.00 O ATOM 637 OE2 GLU A 35 -23.658 -22.495 -10.301 1.00 0.00 O ATOM 0 H GLU A 35 -20.262 -19.492 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.870 -18.337 -7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -22.382 -21.334 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -23.814 -20.606 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -24.434 -19.618 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -22.923 -20.125 -9.909 1.00 0.00 H new ATOM 644 N MET A 36 -20.503 -18.804 -5.767 1.00 0.00 N ATOM 645 CA MET A 36 -19.907 -18.838 -4.434 1.00 0.00 C ATOM 646 C MET A 36 -19.844 -17.436 -3.841 1.00 0.00 C ATOM 647 O MET A 36 -20.483 -16.511 -4.343 1.00 0.00 O ATOM 648 CB MET A 36 -18.501 -19.451 -4.473 1.00 0.00 C ATOM 649 CG MET A 36 -18.335 -20.547 -5.514 1.00 0.00 C ATOM 650 SD MET A 36 -17.083 -21.760 -5.050 1.00 0.00 S ATOM 651 CE MET A 36 -15.592 -20.774 -5.170 1.00 0.00 C ATOM 0 H MET A 36 -19.923 -18.356 -6.477 1.00 0.00 H new ATOM 0 HA MET A 36 -20.539 -19.463 -3.803 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.777 -18.661 -4.672 1.00 0.00 H new ATOM 0 HB3 MET A 36 -18.266 -19.859 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 36 -19.290 -21.053 -5.659 1.00 0.00 H new ATOM 0 HG3 MET A 36 -18.064 -20.098 -6.469 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.738 -21.426 -5.355 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.691 -20.064 -5.991 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.439 -20.231 -4.237 1.00 0.00 H new ATOM 661 N SER A 37 -19.068 -17.284 -2.774 1.00 0.00 N ATOM 662 CA SER A 37 -18.922 -15.992 -2.118 1.00 0.00 C ATOM 663 C SER A 37 -17.455 -15.582 -2.050 1.00 0.00 C ATOM 664 O SER A 37 -16.562 -16.428 -2.069 1.00 0.00 O ATOM 665 CB SER A 37 -19.515 -16.043 -0.709 1.00 0.00 C ATOM 666 OG SER A 37 -20.762 -16.715 -0.703 1.00 0.00 O ATOM 0 H SER A 37 -18.531 -18.039 -2.346 1.00 0.00 H new ATOM 0 HA SER A 37 -19.462 -15.250 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.822 -16.550 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.643 -15.030 -0.328 1.00 0.00 H new ATOM 0 HG SER A 37 -21.118 -16.735 0.210 1.00 0.00 H new ATOM 672 N ASN A 38 -17.219 -14.277 -1.961 1.00 0.00 N ATOM 673 CA ASN A 38 -15.863 -13.741 -1.880 1.00 0.00 C ATOM 674 C ASN A 38 -15.074 -14.398 -0.749 1.00 0.00 C ATOM 675 O ASN A 38 -13.845 -14.362 -0.736 1.00 0.00 O ATOM 676 CB ASN A 38 -15.913 -12.230 -1.655 1.00 0.00 C ATOM 677 CG ASN A 38 -14.808 -11.497 -2.389 1.00 0.00 C ATOM 678 OD1 ASN A 38 -14.903 -11.247 -3.591 1.00 0.00 O ATOM 679 ND2 ASN A 38 -13.750 -11.149 -1.668 1.00 0.00 N ATOM 0 H ASN A 38 -17.952 -13.568 -1.943 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.359 -13.958 -2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.879 -11.849 -1.985 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.836 -12.022 -0.588 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.974 -10.654 -2.107 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -13.713 -11.376 -0.674 1.00 0.00 H new ATOM 686 N LEU A 39 -15.785 -14.997 0.198 1.00 0.00 N ATOM 687 CA LEU A 39 -15.141 -15.655 1.328 1.00 0.00 C ATOM 688 C LEU A 39 -14.412 -16.915 0.876 1.00 0.00 C ATOM 689 O LEU A 39 -13.340 -17.240 1.384 1.00 0.00 O ATOM 690 CB LEU A 39 -16.170 -16.005 2.404 1.00 0.00 C ATOM 691 CG LEU A 39 -16.564 -14.848 3.325 1.00 0.00 C ATOM 692 CD1 LEU A 39 -17.889 -14.243 2.888 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.642 -15.319 4.771 1.00 0.00 C ATOM 0 H LEU A 39 -16.804 -15.041 0.207 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.412 -14.963 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.069 -16.383 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.773 -16.816 3.014 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.796 -14.077 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.152 -13.422 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.799 -13.868 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.667 -15.005 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.923 -14.483 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -17.388 -16.109 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.670 -15.703 5.082 1.00 0.00 H new ATOM 705 N ASP A 40 -15.000 -17.621 -0.084 1.00 0.00 N ATOM 706 CA ASP A 40 -14.402 -18.844 -0.605 1.00 0.00 C ATOM 707 C ASP A 40 -13.096 -18.538 -1.330 1.00 0.00 C ATOM 708 O ASP A 40 -12.111 -19.260 -1.186 1.00 0.00 O ATOM 709 CB ASP A 40 -15.374 -19.552 -1.552 1.00 0.00 C ATOM 710 CG ASP A 40 -16.293 -20.512 -0.823 1.00 0.00 C ATOM 711 OD1 ASP A 40 -15.836 -21.621 -0.474 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.470 -20.156 -0.602 1.00 0.00 O ATOM 0 H ASP A 40 -15.888 -17.368 -0.516 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.187 -19.503 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.973 -18.808 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.809 -20.097 -2.308 1.00 0.00 H new ATOM 717 N LEU A 41 -13.098 -17.459 -2.107 1.00 0.00 N ATOM 718 CA LEU A 41 -11.915 -17.052 -2.852 1.00 0.00 C ATOM 719 C LEU A 41 -10.931 -16.312 -1.953 1.00 0.00 C ATOM 720 O LEU A 41 -9.726 -16.562 -2.000 1.00 0.00 O ATOM 721 CB LEU A 41 -12.308 -16.173 -4.040 1.00 0.00 C ATOM 722 CG LEU A 41 -13.432 -15.174 -3.774 1.00 0.00 C ATOM 723 CD1 LEU A 41 -13.039 -13.782 -4.245 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.708 -15.628 -4.459 1.00 0.00 C ATOM 0 H LEU A 41 -13.907 -16.851 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.426 -17.952 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.427 -15.623 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.608 -16.820 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.609 -15.130 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.854 -13.087 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.146 -13.456 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.835 -13.804 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.502 -14.908 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.539 -15.698 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.000 -16.605 -4.074 1.00 0.00 H new ATOM 736 N THR A 42 -11.447 -15.405 -1.125 1.00 0.00 N ATOM 737 CA THR A 42 -10.606 -14.639 -0.210 1.00 0.00 C ATOM 738 C THR A 42 -9.669 -15.570 0.555 1.00 0.00 C ATOM 739 O THR A 42 -8.509 -15.239 0.799 1.00 0.00 O ATOM 740 CB THR A 42 -11.474 -13.835 0.764 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.177 -12.815 0.079 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.687 -13.173 1.875 1.00 0.00 C ATOM 0 H THR A 42 -12.441 -15.184 -1.070 1.00 0.00 H new ATOM 0 HA THR A 42 -10.003 -13.943 -0.792 1.00 0.00 H new ATOM 0 HB THR A 42 -12.152 -14.564 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.068 -13.141 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.367 -12.622 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.167 -13.935 2.456 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.959 -12.485 1.445 1.00 0.00 H new ATOM 750 N LYS A 43 -10.179 -16.746 0.911 1.00 0.00 N ATOM 751 CA LYS A 43 -9.384 -17.733 1.627 1.00 0.00 C ATOM 752 C LYS A 43 -8.251 -18.225 0.730 1.00 0.00 C ATOM 753 O LYS A 43 -7.126 -18.435 1.184 1.00 0.00 O ATOM 754 CB LYS A 43 -10.280 -18.898 2.077 1.00 0.00 C ATOM 755 CG LYS A 43 -9.598 -20.260 2.079 1.00 0.00 C ATOM 756 CD LYS A 43 -9.907 -21.040 0.810 1.00 0.00 C ATOM 757 CE LYS A 43 -10.917 -22.148 1.067 1.00 0.00 C ATOM 758 NZ LYS A 43 -10.378 -23.187 1.988 1.00 0.00 N ATOM 0 H LYS A 43 -11.137 -17.036 0.715 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.947 -17.279 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.647 -18.689 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.150 -18.943 1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.520 -20.128 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.926 -20.831 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.295 -20.362 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.987 -21.470 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.825 -21.720 1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.197 -22.611 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.845 -24.097 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.353 -23.285 1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.559 -22.906 2.973 1.00 0.00 H new ATOM 772 N ILE A 44 -8.566 -18.398 -0.548 1.00 0.00 N ATOM 773 CA ILE A 44 -7.590 -18.857 -1.531 1.00 0.00 C ATOM 774 C ILE A 44 -6.350 -17.967 -1.529 1.00 0.00 C ATOM 775 O ILE A 44 -5.221 -18.455 -1.572 1.00 0.00 O ATOM 776 CB ILE A 44 -8.183 -18.860 -2.956 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.506 -19.624 -3.000 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.196 -19.462 -3.943 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.156 -19.613 -4.368 1.00 0.00 C ATOM 0 H ILE A 44 -9.496 -18.226 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.317 -19.874 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.377 -17.826 -3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.332 -20.656 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.194 -19.189 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.631 -19.456 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.278 -18.875 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.970 -20.488 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.091 -20.172 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.360 -18.584 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.486 -20.074 -5.093 1.00 0.00 H new ATOM 791 N LEU A 45 -6.573 -16.657 -1.492 1.00 0.00 N ATOM 792 CA LEU A 45 -5.479 -15.692 -1.500 1.00 0.00 C ATOM 793 C LEU A 45 -4.878 -15.510 -0.110 1.00 0.00 C ATOM 794 O LEU A 45 -3.729 -15.089 0.024 1.00 0.00 O ATOM 795 CB LEU A 45 -5.971 -14.350 -2.039 1.00 0.00 C ATOM 796 CG LEU A 45 -6.355 -14.355 -3.518 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.251 -13.171 -3.844 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.108 -14.342 -4.390 1.00 0.00 C ATOM 0 H LEU A 45 -7.503 -16.239 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.696 -16.080 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.836 -14.035 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.192 -13.604 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.911 -15.269 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.513 -13.193 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.159 -13.226 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.724 -12.243 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.399 -14.346 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.525 -13.446 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.506 -15.225 -4.177 1.00 0.00 H new ATOM 810 N SER A 46 -5.651 -15.828 0.923 1.00 0.00 N ATOM 811 CA SER A 46 -5.172 -15.694 2.294 1.00 0.00 C ATOM 812 C SER A 46 -4.212 -16.820 2.642 1.00 0.00 C ATOM 813 O SER A 46 -3.369 -16.686 3.528 1.00 0.00 O ATOM 814 CB SER A 46 -6.346 -15.677 3.273 1.00 0.00 C ATOM 815 OG SER A 46 -6.879 -16.978 3.457 1.00 0.00 O ATOM 0 H SER A 46 -6.605 -16.178 0.838 1.00 0.00 H new ATOM 0 HA SER A 46 -4.637 -14.748 2.375 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.017 -15.277 4.232 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.125 -15.012 2.900 1.00 0.00 H new ATOM 0 HG SER A 46 -6.818 -17.478 2.617 1.00 0.00 H new ATOM 821 N LYS A 47 -4.348 -17.926 1.933 1.00 0.00 N ATOM 822 CA LYS A 47 -3.512 -19.085 2.143 1.00 0.00 C ATOM 823 C LYS A 47 -2.241 -18.994 1.304 1.00 0.00 C ATOM 824 O LYS A 47 -1.140 -19.243 1.795 1.00 0.00 O ATOM 825 CB LYS A 47 -4.304 -20.332 1.767 1.00 0.00 C ATOM 826 CG LYS A 47 -4.827 -21.122 2.956 1.00 0.00 C ATOM 827 CD LYS A 47 -3.745 -21.361 3.994 1.00 0.00 C ATOM 828 CE LYS A 47 -2.659 -22.286 3.468 1.00 0.00 C ATOM 829 NZ LYS A 47 -2.353 -23.386 4.423 1.00 0.00 N ATOM 0 H LYS A 47 -5.043 -18.042 1.196 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.217 -19.134 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.147 -20.038 1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.671 -20.982 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.657 -20.584 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.219 -22.079 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.303 -20.408 4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.189 -21.793 4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.975 -22.711 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.754 -21.710 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.608 -23.993 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.027 -22.982 5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.210 -23.952 4.587 1.00 0.00 H new ATOM 843 N LYS A 48 -2.404 -18.636 0.034 1.00 0.00 N ATOM 844 CA LYS A 48 -1.275 -18.510 -0.881 1.00 0.00 C ATOM 845 C LYS A 48 -0.241 -17.525 -0.343 1.00 0.00 C ATOM 846 O LYS A 48 0.905 -17.892 -0.086 1.00 0.00 O ATOM 847 CB LYS A 48 -1.758 -18.061 -2.261 1.00 0.00 C ATOM 848 CG LYS A 48 -1.971 -19.209 -3.234 1.00 0.00 C ATOM 849 CD LYS A 48 -3.435 -19.612 -3.310 1.00 0.00 C ATOM 850 CE LYS A 48 -3.683 -20.592 -4.445 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.609 -22.006 -3.985 1.00 0.00 N ATOM 0 H LYS A 48 -3.310 -18.428 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.802 -19.488 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.693 -17.513 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.031 -17.368 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.621 -18.917 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.373 -20.066 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.739 -20.063 -2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.051 -18.724 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.664 -20.403 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.948 -20.428 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.784 -22.642 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.664 -22.195 -3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.327 -22.170 -3.251 1.00 0.00 H new ATOM 865 N TYR A 49 -0.653 -16.271 -0.180 1.00 0.00 N ATOM 866 CA TYR A 49 0.233 -15.229 0.321 1.00 0.00 C ATOM 867 C TYR A 49 0.990 -15.683 1.565 1.00 0.00 C ATOM 868 O TYR A 49 2.165 -15.364 1.736 1.00 0.00 O ATOM 869 CB TYR A 49 -0.566 -13.970 0.639 1.00 0.00 C ATOM 870 CG TYR A 49 0.309 -12.772 0.884 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.792 -12.021 -0.175 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.663 -12.401 2.172 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.606 -10.927 0.041 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.476 -11.311 2.400 1.00 0.00 C ATOM 875 CZ TYR A 49 1.946 -10.575 1.331 1.00 0.00 C ATOM 876 OH TYR A 49 2.759 -9.487 1.555 1.00 0.00 O ATOM 0 H TYR A 49 -1.599 -15.953 -0.389 1.00 0.00 H new ATOM 0 HA TYR A 49 0.963 -15.014 -0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.244 -13.757 -0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.184 -14.149 1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.528 -12.296 -1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.296 -12.975 3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.974 -10.350 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.744 -11.035 3.409 1.00 0.00 H new ATOM 0 HH TYR A 49 2.900 -9.377 2.519 1.00 0.00 H new ATOM 886 N LYS A 50 0.314 -16.424 2.433 1.00 0.00 N ATOM 887 CA LYS A 50 0.934 -16.912 3.655 1.00 0.00 C ATOM 888 C LYS A 50 1.891 -18.060 3.340 1.00 0.00 C ATOM 889 O LYS A 50 2.999 -18.126 3.876 1.00 0.00 O ATOM 890 CB LYS A 50 -0.161 -17.335 4.655 1.00 0.00 C ATOM 891 CG LYS A 50 -0.013 -18.736 5.242 1.00 0.00 C ATOM 892 CD LYS A 50 0.709 -18.707 6.581 1.00 0.00 C ATOM 893 CE LYS A 50 2.115 -18.144 6.447 1.00 0.00 C ATOM 894 NZ LYS A 50 2.701 -17.792 7.771 1.00 0.00 N ATOM 0 H LYS A 50 -0.661 -16.699 2.313 1.00 0.00 H new ATOM 0 HA LYS A 50 1.521 -16.116 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.176 -16.617 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.128 -17.270 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.998 -19.184 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.537 -19.367 4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.141 -18.103 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.758 -19.716 6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.753 -18.875 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.092 -17.258 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.660 -17.412 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.106 -17.076 8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.747 -18.643 8.368 1.00 0.00 H new ATOM 908 N GLU A 51 1.455 -18.958 2.465 1.00 0.00 N ATOM 909 CA GLU A 51 2.264 -20.106 2.071 1.00 0.00 C ATOM 910 C GLU A 51 3.460 -19.677 1.220 1.00 0.00 C ATOM 911 O GLU A 51 4.426 -20.426 1.074 1.00 0.00 O ATOM 912 CB GLU A 51 1.408 -21.117 1.304 1.00 0.00 C ATOM 913 CG GLU A 51 1.297 -22.467 1.990 1.00 0.00 C ATOM 914 CD GLU A 51 2.222 -23.506 1.387 1.00 0.00 C ATOM 915 OE1 GLU A 51 2.531 -23.397 0.181 1.00 0.00 O ATOM 916 OE2 GLU A 51 2.637 -24.428 2.119 1.00 0.00 O ATOM 0 H GLU A 51 0.542 -18.913 2.013 1.00 0.00 H new ATOM 0 HA GLU A 51 2.646 -20.575 2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.408 -20.705 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.832 -21.258 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.527 -22.352 3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.268 -22.820 1.924 1.00 0.00 H new ATOM 923 N LEU A 52 3.391 -18.470 0.659 1.00 0.00 N ATOM 924 CA LEU A 52 4.470 -17.949 -0.177 1.00 0.00 C ATOM 925 C LEU A 52 5.822 -18.078 0.525 1.00 0.00 C ATOM 926 O LEU A 52 5.986 -17.634 1.661 1.00 0.00 O ATOM 927 CB LEU A 52 4.206 -16.483 -0.532 1.00 0.00 C ATOM 928 CG LEU A 52 3.731 -16.239 -1.966 1.00 0.00 C ATOM 929 CD1 LEU A 52 2.868 -14.986 -2.040 1.00 0.00 C ATOM 930 CD2 LEU A 52 4.921 -16.129 -2.909 1.00 0.00 C ATOM 0 H LEU A 52 2.600 -17.836 0.769 1.00 0.00 H new ATOM 0 HA LEU A 52 4.500 -18.540 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.457 -16.088 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.121 -15.915 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 52 3.124 -17.089 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.540 -14.830 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.997 -15.106 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.448 -14.125 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.566 -15.956 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.555 -15.298 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.496 -17.055 -2.879 1.00 0.00 H new ATOM 942 N PRO A 53 6.815 -18.688 -0.149 1.00 0.00 N ATOM 943 CA PRO A 53 8.159 -18.873 0.414 1.00 0.00 C ATOM 944 C PRO A 53 8.953 -17.580 0.506 1.00 0.00 C ATOM 945 O PRO A 53 10.182 -17.600 0.563 1.00 0.00 O ATOM 946 CB PRO A 53 8.845 -19.797 -0.584 1.00 0.00 C ATOM 947 CG PRO A 53 8.107 -19.622 -1.866 1.00 0.00 C ATOM 948 CD PRO A 53 6.698 -19.250 -1.507 1.00 0.00 C ATOM 0 HA PRO A 53 8.099 -19.258 1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.897 -19.537 -0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.807 -20.833 -0.248 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.569 -18.845 -2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.127 -20.541 -2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.286 -18.522 -2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.039 -20.118 -1.525 1.00 0.00 H new ATOM 956 N GLU A 54 8.254 -16.463 0.494 1.00 0.00 N ATOM 957 CA GLU A 54 8.893 -15.153 0.552 1.00 0.00 C ATOM 958 C GLU A 54 9.886 -14.988 -0.597 1.00 0.00 C ATOM 959 O GLU A 54 10.695 -14.060 -0.597 1.00 0.00 O ATOM 960 CB GLU A 54 9.609 -14.928 1.896 1.00 0.00 C ATOM 961 CG GLU A 54 9.479 -16.079 2.882 1.00 0.00 C ATOM 962 CD GLU A 54 9.712 -15.646 4.318 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.765 -15.033 4.590 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.841 -15.924 5.168 1.00 0.00 O ATOM 0 H GLU A 54 7.236 -16.431 0.444 1.00 0.00 H new ATOM 0 HA GLU A 54 8.106 -14.405 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.667 -14.749 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.211 -14.024 2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.484 -16.517 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.194 -16.859 2.621 1.00 0.00 H new ATOM 971 N LYS A 55 9.825 -15.889 -1.580 1.00 0.00 N ATOM 972 CA LYS A 55 10.727 -15.818 -2.720 1.00 0.00 C ATOM 973 C LYS A 55 10.222 -14.804 -3.742 1.00 0.00 C ATOM 974 O LYS A 55 11.009 -14.148 -4.426 1.00 0.00 O ATOM 975 CB LYS A 55 10.888 -17.199 -3.368 1.00 0.00 C ATOM 976 CG LYS A 55 9.722 -17.607 -4.256 1.00 0.00 C ATOM 977 CD LYS A 55 10.004 -17.308 -5.720 1.00 0.00 C ATOM 978 CE LYS A 55 11.134 -18.170 -6.256 1.00 0.00 C ATOM 979 NZ LYS A 55 11.218 -18.113 -7.742 1.00 0.00 N ATOM 0 H LYS A 55 9.166 -16.667 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 55 11.703 -15.490 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.803 -17.206 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.012 -17.945 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.525 -18.672 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.822 -17.078 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.103 -17.481 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.262 -16.255 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.079 -17.839 -5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.985 -19.202 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.001 -18.714 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.325 -18.453 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.386 -17.132 -8.043 1.00 0.00 H new ATOM 993 N LYS A 56 8.901 -14.679 -3.838 1.00 0.00 N ATOM 994 CA LYS A 56 8.282 -13.744 -4.770 1.00 0.00 C ATOM 995 C LYS A 56 7.847 -12.470 -4.053 1.00 0.00 C ATOM 996 O LYS A 56 7.719 -11.411 -4.668 1.00 0.00 O ATOM 997 CB LYS A 56 7.077 -14.394 -5.452 1.00 0.00 C ATOM 998 CG LYS A 56 7.390 -15.739 -6.089 1.00 0.00 C ATOM 999 CD LYS A 56 6.314 -16.148 -7.080 1.00 0.00 C ATOM 1000 CE LYS A 56 6.498 -17.589 -7.536 1.00 0.00 C ATOM 1001 NZ LYS A 56 5.194 -18.280 -7.732 1.00 0.00 N ATOM 0 H LYS A 56 8.238 -15.216 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 56 9.021 -13.481 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.282 -14.525 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.696 -13.719 -6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.353 -15.687 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.479 -16.499 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.332 -16.032 -6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.342 -15.485 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.061 -17.605 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.089 -18.131 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.363 -19.258 -8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.667 -18.287 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.640 -17.778 -8.455 1.00 0.00 H new ATOM 1015 N LYS A 57 7.626 -12.578 -2.746 1.00 0.00 N ATOM 1016 CA LYS A 57 7.210 -11.436 -1.941 1.00 0.00 C ATOM 1017 C LYS A 57 8.279 -10.358 -1.965 1.00 0.00 C ATOM 1018 O LYS A 57 7.975 -9.168 -2.051 1.00 0.00 O ATOM 1019 CB LYS A 57 6.931 -11.875 -0.505 1.00 0.00 C ATOM 1020 CG LYS A 57 5.862 -12.950 -0.406 1.00 0.00 C ATOM 1021 CD LYS A 57 5.828 -13.584 0.975 1.00 0.00 C ATOM 1022 CE LYS A 57 4.407 -13.691 1.502 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.352 -14.404 2.808 1.00 0.00 N ATOM 0 H LYS A 57 7.729 -13.447 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 57 6.293 -11.026 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.854 -12.247 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.621 -11.009 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.888 -12.516 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.049 -13.719 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.277 -14.576 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.429 -12.991 1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.986 -12.692 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.789 -14.217 0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.479 -14.966 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.175 -15.034 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.364 -13.710 3.583 1.00 0.00 H new ATOM 1037 N MET A 58 9.541 -10.782 -1.917 1.00 0.00 N ATOM 1038 CA MET A 58 10.660 -9.854 -1.959 1.00 0.00 C ATOM 1039 C MET A 58 10.469 -8.850 -3.091 1.00 0.00 C ATOM 1040 O MET A 58 10.962 -7.723 -3.032 1.00 0.00 O ATOM 1041 CB MET A 58 11.967 -10.622 -2.156 1.00 0.00 C ATOM 1042 CG MET A 58 12.542 -11.188 -0.869 1.00 0.00 C ATOM 1043 SD MET A 58 13.296 -12.809 -1.101 1.00 0.00 S ATOM 1044 CE MET A 58 14.226 -12.539 -2.607 1.00 0.00 C ATOM 0 H MET A 58 9.810 -11.764 -1.849 1.00 0.00 H new ATOM 0 HA MET A 58 10.705 -9.313 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.796 -11.439 -2.857 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.703 -9.959 -2.612 1.00 0.00 H new ATOM 0 HG2 MET A 58 13.287 -10.498 -0.474 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.750 -11.263 -0.124 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.101 -13.189 -2.616 1.00 0.00 H new ATOM 0 HE2 MET A 58 13.597 -12.765 -3.468 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.546 -11.498 -2.655 1.00 0.00 H new ATOM 1054 N LYS A 59 9.732 -9.270 -4.116 1.00 0.00 N ATOM 1055 CA LYS A 59 9.449 -8.417 -5.261 1.00 0.00 C ATOM 1056 C LYS A 59 8.272 -7.497 -4.948 1.00 0.00 C ATOM 1057 O LYS A 59 8.345 -6.284 -5.149 1.00 0.00 O ATOM 1058 CB LYS A 59 9.156 -9.281 -6.498 1.00 0.00 C ATOM 1059 CG LYS A 59 7.735 -9.166 -7.034 1.00 0.00 C ATOM 1060 CD LYS A 59 7.553 -9.972 -8.309 1.00 0.00 C ATOM 1061 CE LYS A 59 6.445 -9.398 -9.178 1.00 0.00 C ATOM 1062 NZ LYS A 59 6.606 -7.932 -9.387 1.00 0.00 N ATOM 0 H LYS A 59 9.319 -10.201 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 59 10.320 -7.798 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.852 -9.005 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.353 -10.324 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.031 -9.515 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.502 -8.119 -7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.488 -9.984 -8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.320 -11.006 -8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.442 -9.904 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.479 -9.594 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.135 -7.654 -10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.178 -7.419 -8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.618 -7.699 -9.446 1.00 0.00 H new ATOM 1076 N TYR A 60 7.191 -8.088 -4.449 1.00 0.00 N ATOM 1077 CA TYR A 60 5.997 -7.327 -4.100 1.00 0.00 C ATOM 1078 C TYR A 60 6.314 -6.283 -3.038 1.00 0.00 C ATOM 1079 O TYR A 60 6.015 -5.102 -3.209 1.00 0.00 O ATOM 1080 CB TYR A 60 4.903 -8.253 -3.585 1.00 0.00 C ATOM 1081 CG TYR A 60 4.487 -9.321 -4.570 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.267 -9.011 -5.905 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.305 -10.636 -4.164 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.878 -9.981 -6.809 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.919 -11.613 -5.060 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.706 -11.281 -6.381 1.00 0.00 C ATOM 1087 OH TYR A 60 3.318 -12.250 -7.278 1.00 0.00 O ATOM 0 H TYR A 60 7.117 -9.091 -4.277 1.00 0.00 H new ATOM 0 HA TYR A 60 5.648 -6.824 -5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.249 -8.733 -2.669 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.030 -7.656 -3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.402 -7.994 -6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.468 -10.899 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.710 -9.723 -7.844 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.785 -12.632 -4.728 1.00 0.00 H new ATOM 0 HH TYR A 60 3.915 -13.023 -7.203 1.00 0.00 H new ATOM 1097 N ILE A 61 6.928 -6.721 -1.939 1.00 0.00 N ATOM 1098 CA ILE A 61 7.282 -5.803 -0.863 1.00 0.00 C ATOM 1099 C ILE A 61 8.231 -4.734 -1.392 1.00 0.00 C ATOM 1100 O ILE A 61 8.200 -3.586 -0.948 1.00 0.00 O ATOM 1101 CB ILE A 61 7.937 -6.520 0.340 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.912 -7.366 1.101 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.557 -5.496 1.281 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.269 -8.459 0.275 1.00 0.00 C ATOM 0 H ILE A 61 7.187 -7.694 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 61 6.355 -5.351 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 61 8.714 -7.182 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.401 -7.819 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.131 -6.710 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.016 -6.009 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.316 -4.924 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.783 -4.820 1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.557 -9.009 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.748 -8.015 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.038 -9.141 -0.088 1.00 0.00 H new ATOM 1116 N GLN A 62 9.056 -5.116 -2.361 1.00 0.00 N ATOM 1117 CA GLN A 62 9.992 -4.188 -2.970 1.00 0.00 C ATOM 1118 C GLN A 62 9.232 -3.198 -3.834 1.00 0.00 C ATOM 1119 O GLN A 62 9.728 -2.115 -4.142 1.00 0.00 O ATOM 1120 CB GLN A 62 11.025 -4.938 -3.813 1.00 0.00 C ATOM 1121 CG GLN A 62 12.291 -5.292 -3.050 1.00 0.00 C ATOM 1122 CD GLN A 62 13.304 -4.164 -3.049 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.245 -4.157 -3.843 1.00 0.00 O ATOM 1124 NE2 GLN A 62 13.113 -3.200 -2.156 1.00 0.00 N ATOM 0 H GLN A 62 9.093 -6.063 -2.739 1.00 0.00 H new ATOM 0 HA GLN A 62 10.521 -3.651 -2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.574 -5.853 -4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.290 -4.327 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.033 -5.545 -2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.742 -6.180 -3.493 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.319 -3.247 -1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.760 -2.413 -2.109 1.00 0.00 H new ATOM 1133 N ASP A 63 8.008 -3.570 -4.202 1.00 0.00 N ATOM 1134 CA ASP A 63 7.163 -2.707 -5.007 1.00 0.00 C ATOM 1135 C ASP A 63 6.317 -1.829 -4.095 1.00 0.00 C ATOM 1136 O ASP A 63 5.931 -0.718 -4.457 1.00 0.00 O ATOM 1137 CB ASP A 63 6.263 -3.538 -5.924 1.00 0.00 C ATOM 1138 CG ASP A 63 5.845 -2.779 -7.168 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.576 -2.847 -8.179 1.00 0.00 O ATOM 1140 OD2 ASP A 63 4.789 -2.114 -7.130 1.00 0.00 O ATOM 0 H ASP A 63 7.584 -4.464 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 63 7.795 -2.075 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.788 -4.448 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.374 -3.846 -5.374 1.00 0.00 H new ATOM 1145 N PHE A 64 6.043 -2.350 -2.902 1.00 0.00 N ATOM 1146 CA PHE A 64 5.255 -1.641 -1.910 1.00 0.00 C ATOM 1147 C PHE A 64 6.133 -0.681 -1.102 1.00 0.00 C ATOM 1148 O PHE A 64 5.630 0.247 -0.469 1.00 0.00 O ATOM 1149 CB PHE A 64 4.574 -2.663 -0.988 1.00 0.00 C ATOM 1150 CG PHE A 64 4.545 -2.279 0.464 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.562 -1.436 0.954 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.501 -2.771 1.335 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.534 -1.088 2.290 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.480 -2.427 2.673 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.494 -1.584 3.151 1.00 0.00 C ATOM 0 H PHE A 64 6.361 -3.271 -2.601 1.00 0.00 H new ATOM 0 HA PHE A 64 4.494 -1.045 -2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.550 -2.814 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.088 -3.619 -1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.809 -1.047 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.272 -3.431 0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.763 -0.429 2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.232 -2.816 3.344 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.474 -1.313 4.196 1.00 0.00 H new ATOM 1165 N GLN A 65 7.443 -0.917 -1.119 1.00 0.00 N ATOM 1166 CA GLN A 65 8.380 -0.079 -0.378 1.00 0.00 C ATOM 1167 C GLN A 65 9.066 0.938 -1.286 1.00 0.00 C ATOM 1168 O GLN A 65 9.450 2.019 -0.840 1.00 0.00 O ATOM 1169 CB GLN A 65 9.434 -0.950 0.313 1.00 0.00 C ATOM 1170 CG GLN A 65 8.872 -1.813 1.431 1.00 0.00 C ATOM 1171 CD GLN A 65 9.287 -1.330 2.807 1.00 0.00 C ATOM 1172 OE1 GLN A 65 9.881 -0.262 2.950 1.00 0.00 O ATOM 1173 NE2 GLN A 65 8.976 -2.119 3.828 1.00 0.00 N ATOM 0 H GLN A 65 7.878 -1.680 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 65 7.810 0.469 0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.905 -1.594 -0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.215 -0.307 0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.784 -1.821 1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.207 -2.841 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.483 -2.996 3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.230 -1.848 4.778 1.00 0.00 H new ATOM 1182 N ARG A 66 9.231 0.585 -2.558 1.00 0.00 N ATOM 1183 CA ARG A 66 9.886 1.471 -3.515 1.00 0.00 C ATOM 1184 C ARG A 66 8.960 2.601 -3.964 1.00 0.00 C ATOM 1185 O ARG A 66 9.422 3.621 -4.476 1.00 0.00 O ATOM 1186 CB ARG A 66 10.377 0.677 -4.730 1.00 0.00 C ATOM 1187 CG ARG A 66 9.270 0.288 -5.701 1.00 0.00 C ATOM 1188 CD ARG A 66 9.449 0.965 -7.051 1.00 0.00 C ATOM 1189 NE ARG A 66 8.846 0.194 -8.135 1.00 0.00 N ATOM 1190 CZ ARG A 66 7.543 0.193 -8.409 1.00 0.00 C ATOM 1191 NH1 ARG A 66 6.704 0.922 -7.683 1.00 0.00 N ATOM 1192 NH2 ARG A 66 7.076 -0.537 -9.411 1.00 0.00 N ATOM 0 H ARG A 66 8.921 -0.305 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 66 10.742 1.921 -3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.122 1.269 -5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.877 -0.227 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.264 -0.794 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.303 0.563 -5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.001 1.958 -7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.512 1.100 -7.250 1.00 0.00 H new ATOM 0 HE ARG A 66 9.459 -0.377 -8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.057 1.487 -6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.707 0.917 -7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.715 -1.099 -9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.078 -0.537 -9.620 1.00 0.00 H new ATOM 1206 N GLU A 67 7.656 2.420 -3.777 1.00 0.00 N ATOM 1207 CA GLU A 67 6.687 3.426 -4.168 1.00 0.00 C ATOM 1208 C GLU A 67 6.247 4.241 -2.952 1.00 0.00 C ATOM 1209 O GLU A 67 5.905 5.418 -3.073 1.00 0.00 O ATOM 1210 CB GLU A 67 5.497 2.743 -4.864 1.00 0.00 C ATOM 1211 CG GLU A 67 4.132 3.342 -4.562 1.00 0.00 C ATOM 1212 CD GLU A 67 3.442 3.881 -5.801 1.00 0.00 C ATOM 1213 OE1 GLU A 67 3.299 3.119 -6.780 1.00 0.00 O ATOM 1214 OE2 GLU A 67 3.045 5.066 -5.791 1.00 0.00 O ATOM 0 H GLU A 67 7.251 1.584 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 67 7.140 4.122 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.660 2.778 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.485 1.692 -4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.501 2.583 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.246 4.146 -3.835 1.00 0.00 H new ATOM 1221 N LYS A 68 6.267 3.611 -1.782 1.00 0.00 N ATOM 1222 CA LYS A 68 5.877 4.283 -0.547 1.00 0.00 C ATOM 1223 C LYS A 68 6.925 5.311 -0.128 1.00 0.00 C ATOM 1224 O LYS A 68 6.683 6.131 0.758 1.00 0.00 O ATOM 1225 CB LYS A 68 5.665 3.261 0.572 1.00 0.00 C ATOM 1226 CG LYS A 68 4.207 3.075 0.957 1.00 0.00 C ATOM 1227 CD LYS A 68 4.051 2.817 2.447 1.00 0.00 C ATOM 1228 CE LYS A 68 3.532 4.047 3.175 1.00 0.00 C ATOM 1229 NZ LYS A 68 4.577 5.099 3.301 1.00 0.00 N ATOM 0 H LYS A 68 6.549 2.638 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 68 4.939 4.807 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.075 2.301 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.227 3.575 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.640 3.964 0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.785 2.241 0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.365 1.984 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.012 2.522 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.673 4.451 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.183 3.761 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.184 5.921 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.386 4.722 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.892 5.390 2.354 1.00 0.00 H new ATOM 1243 N GLN A 69 8.087 5.261 -0.768 1.00 0.00 N ATOM 1244 CA GLN A 69 9.167 6.185 -0.464 1.00 0.00 C ATOM 1245 C GLN A 69 9.046 7.454 -1.301 1.00 0.00 C ATOM 1246 O GLN A 69 9.200 8.563 -0.791 1.00 0.00 O ATOM 1247 CB GLN A 69 10.511 5.511 -0.721 1.00 0.00 C ATOM 1248 CG GLN A 69 11.687 6.224 -0.073 1.00 0.00 C ATOM 1249 CD GLN A 69 12.438 7.110 -1.046 1.00 0.00 C ATOM 1250 OE1 GLN A 69 12.671 8.288 -0.777 1.00 0.00 O ATOM 1251 NE2 GLN A 69 12.820 6.547 -2.186 1.00 0.00 N ATOM 0 H GLN A 69 8.304 4.587 -1.503 1.00 0.00 H new ATOM 0 HA GLN A 69 9.100 6.464 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.470 4.487 -0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.679 5.455 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.327 6.828 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.372 5.485 0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.605 5.566 -2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.328 7.095 -2.880 1.00 0.00 H new ATOM 1260 N GLU A 70 8.767 7.281 -2.588 1.00 0.00 N ATOM 1261 CA GLU A 70 8.620 8.412 -3.496 1.00 0.00 C ATOM 1262 C GLU A 70 7.381 9.230 -3.140 1.00 0.00 C ATOM 1263 O GLU A 70 7.349 10.445 -3.337 1.00 0.00 O ATOM 1264 CB GLU A 70 8.529 7.925 -4.944 1.00 0.00 C ATOM 1265 CG GLU A 70 9.346 8.757 -5.918 1.00 0.00 C ATOM 1266 CD GLU A 70 8.601 9.050 -7.205 1.00 0.00 C ATOM 1267 OE1 GLU A 70 8.199 8.086 -7.890 1.00 0.00 O ATOM 1268 OE2 GLU A 70 8.418 10.243 -7.529 1.00 0.00 O ATOM 0 H GLU A 70 8.638 6.369 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 70 9.499 9.049 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.866 6.890 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.485 7.935 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.624 9.697 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.272 8.231 -6.151 1.00 0.00 H new ATOM 1275 N PHE A 71 6.367 8.554 -2.610 1.00 0.00 N ATOM 1276 CA PHE A 71 5.126 9.215 -2.220 1.00 0.00 C ATOM 1277 C PHE A 71 5.307 9.987 -0.916 1.00 0.00 C ATOM 1278 O PHE A 71 4.552 10.914 -0.625 1.00 0.00 O ATOM 1279 CB PHE A 71 4.001 8.188 -2.070 1.00 0.00 C ATOM 1280 CG PHE A 71 2.631 8.768 -2.267 1.00 0.00 C ATOM 1281 CD1 PHE A 71 2.105 8.917 -3.540 1.00 0.00 C ATOM 1282 CD2 PHE A 71 1.868 9.165 -1.181 1.00 0.00 C ATOM 1283 CE1 PHE A 71 0.845 9.452 -3.726 1.00 0.00 C ATOM 1284 CE2 PHE A 71 0.607 9.699 -1.360 1.00 0.00 C ATOM 1285 CZ PHE A 71 0.094 9.843 -2.635 1.00 0.00 C ATOM 0 H PHE A 71 6.380 7.548 -2.440 1.00 0.00 H new ATOM 0 HA PHE A 71 4.858 9.923 -3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.154 7.385 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.058 7.740 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.687 8.611 -4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.264 9.056 -0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.448 9.564 -4.724 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.022 10.004 -0.504 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.892 10.260 -2.778 1.00 0.00 H new ATOM 1295 N GLU A 72 6.311 9.599 -0.134 1.00 0.00 N ATOM 1296 CA GLU A 72 6.590 10.253 1.141 1.00 0.00 C ATOM 1297 C GLU A 72 7.726 11.272 1.007 1.00 0.00 C ATOM 1298 O GLU A 72 8.105 11.916 1.984 1.00 0.00 O ATOM 1299 CB GLU A 72 6.953 9.205 2.197 1.00 0.00 C ATOM 1300 CG GLU A 72 7.327 9.798 3.546 1.00 0.00 C ATOM 1301 CD GLU A 72 7.007 8.867 4.701 1.00 0.00 C ATOM 1302 OE1 GLU A 72 6.179 7.951 4.512 1.00 0.00 O ATOM 1303 OE2 GLU A 72 7.584 9.056 5.792 1.00 0.00 O ATOM 0 H GLU A 72 6.946 8.834 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 72 5.691 10.786 1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.109 8.528 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.787 8.606 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.392 10.029 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.796 10.739 3.685 1.00 0.00 H new ATOM 1310 N ARG A 73 8.267 11.411 -0.203 1.00 0.00 N ATOM 1311 CA ARG A 73 9.359 12.346 -0.448 1.00 0.00 C ATOM 1312 C ARG A 73 8.984 13.767 -0.030 1.00 0.00 C ATOM 1313 O ARG A 73 9.380 14.231 1.039 1.00 0.00 O ATOM 1314 CB ARG A 73 9.752 12.324 -1.928 1.00 0.00 C ATOM 1315 CG ARG A 73 10.620 11.136 -2.309 1.00 0.00 C ATOM 1316 CD ARG A 73 12.008 11.239 -1.698 1.00 0.00 C ATOM 1317 NE ARG A 73 12.753 12.383 -2.217 1.00 0.00 N ATOM 1318 CZ ARG A 73 13.833 12.893 -1.631 1.00 0.00 C ATOM 1319 NH1 ARG A 73 14.298 12.366 -0.504 1.00 0.00 N ATOM 1320 NH2 ARG A 73 14.452 13.934 -2.172 1.00 0.00 N ATOM 0 H ARG A 73 7.966 10.888 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 73 10.209 12.030 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.847 12.312 -2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.285 13.244 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.143 10.214 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.703 11.078 -3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.921 11.325 -0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.562 10.323 -1.902 1.00 0.00 H new ATOM 0 HE ARG A 73 12.426 12.817 -3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.827 11.566 -0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.127 12.762 -0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.100 14.344 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.280 14.325 -1.723 1.00 0.00 H new ATOM 1334 N ASN A 74 8.227 14.454 -0.879 1.00 0.00 N ATOM 1335 CA ASN A 74 7.813 15.825 -0.596 1.00 0.00 C ATOM 1336 C ASN A 74 6.435 15.864 0.058 1.00 0.00 C ATOM 1337 O ASN A 74 6.135 16.768 0.839 1.00 0.00 O ATOM 1338 CB ASN A 74 7.799 16.651 -1.883 1.00 0.00 C ATOM 1339 CG ASN A 74 9.195 16.960 -2.386 1.00 0.00 C ATOM 1340 OD1 ASN A 74 9.588 16.525 -3.468 1.00 0.00 O ATOM 1341 ND2 ASN A 74 9.953 17.716 -1.600 1.00 0.00 N ATOM 0 H ASN A 74 7.888 14.085 -1.767 1.00 0.00 H new ATOM 0 HA ASN A 74 8.534 16.253 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.250 16.109 -2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.264 17.584 -1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.902 17.958 -1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.586 18.055 -0.711 1.00 0.00 H new ATOM 1348 N LEU A 75 5.598 14.883 -0.263 1.00 0.00 N ATOM 1349 CA LEU A 75 4.249 14.811 0.294 1.00 0.00 C ATOM 1350 C LEU A 75 4.275 14.908 1.817 1.00 0.00 C ATOM 1351 O LEU A 75 3.305 15.344 2.436 1.00 0.00 O ATOM 1352 CB LEU A 75 3.567 13.509 -0.132 1.00 0.00 C ATOM 1353 CG LEU A 75 2.039 13.528 -0.064 1.00 0.00 C ATOM 1354 CD1 LEU A 75 1.450 13.953 -1.400 1.00 0.00 C ATOM 1355 CD2 LEU A 75 1.507 12.164 0.348 1.00 0.00 C ATOM 0 H LEU A 75 5.829 14.126 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 75 3.682 15.657 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.867 13.276 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.934 12.700 0.500 1.00 0.00 H new ATOM 0 HG LEU A 75 1.737 14.255 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.362 13.961 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.805 14.952 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.760 13.251 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.418 12.196 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.819 11.416 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.902 11.901 1.329 1.00 0.00 H new ATOM 1367 N ALA A 76 5.388 14.496 2.416 1.00 0.00 N ATOM 1368 CA ALA A 76 5.536 14.537 3.866 1.00 0.00 C ATOM 1369 C ALA A 76 6.093 15.879 4.327 1.00 0.00 C ATOM 1370 O ALA A 76 5.820 16.324 5.441 1.00 0.00 O ATOM 1371 CB ALA A 76 6.432 13.400 4.334 1.00 0.00 C ATOM 0 H ALA A 76 6.200 14.130 1.919 1.00 0.00 H new ATOM 0 HA ALA A 76 4.548 14.416 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.535 13.441 5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.989 12.446 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.414 13.497 3.872 1.00 0.00 H new ATOM 1377 N ARG A 77 6.876 16.521 3.465 1.00 0.00 N ATOM 1378 CA ARG A 77 7.476 17.813 3.787 1.00 0.00 C ATOM 1379 C ARG A 77 6.417 18.817 4.240 1.00 0.00 C ATOM 1380 O ARG A 77 6.720 19.765 4.964 1.00 0.00 O ATOM 1381 CB ARG A 77 8.228 18.364 2.574 1.00 0.00 C ATOM 1382 CG ARG A 77 9.288 19.392 2.932 1.00 0.00 C ATOM 1383 CD ARG A 77 10.099 19.806 1.715 1.00 0.00 C ATOM 1384 NE ARG A 77 10.839 21.044 1.943 1.00 0.00 N ATOM 1385 CZ ARG A 77 10.265 22.239 2.060 1.00 0.00 C ATOM 1386 NH1 ARG A 77 8.947 22.363 1.972 1.00 0.00 N ATOM 1387 NH2 ARG A 77 11.013 23.316 2.268 1.00 0.00 N ATOM 0 H ARG A 77 7.110 16.168 2.537 1.00 0.00 H new ATOM 0 HA ARG A 77 8.177 17.661 4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.700 17.537 2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.512 18.816 1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.812 20.270 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.954 18.980 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 77 10.797 19.009 1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.432 19.934 0.862 1.00 0.00 H new ATOM 0 HE ARG A 77 11.855 20.990 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.367 21.539 1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.514 23.282 2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.027 23.227 2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.574 24.232 2.358 1.00 0.00 H new ATOM 1401 N PHE A 78 5.176 18.605 3.809 1.00 0.00 N ATOM 1402 CA PHE A 78 4.078 19.493 4.172 1.00 0.00 C ATOM 1403 C PHE A 78 3.940 19.612 5.689 1.00 0.00 C ATOM 1404 O PHE A 78 3.386 20.589 6.195 1.00 0.00 O ATOM 1405 CB PHE A 78 2.766 18.989 3.566 1.00 0.00 C ATOM 1406 CG PHE A 78 1.947 20.073 2.926 1.00 0.00 C ATOM 1407 CD1 PHE A 78 1.087 20.849 3.686 1.00 0.00 C ATOM 1408 CD2 PHE A 78 2.039 20.317 1.565 1.00 0.00 C ATOM 1409 CE1 PHE A 78 0.333 21.848 3.100 1.00 0.00 C ATOM 1410 CE2 PHE A 78 1.287 21.314 0.974 1.00 0.00 C ATOM 1411 CZ PHE A 78 0.433 22.081 1.742 1.00 0.00 C ATOM 0 H PHE A 78 4.907 17.826 3.208 1.00 0.00 H new ATOM 0 HA PHE A 78 4.302 20.482 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.989 18.225 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.175 18.510 4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.005 20.671 4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.706 19.721 0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.334 22.446 3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.367 21.493 -0.088 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.155 22.861 1.282 1.00 0.00 H new ATOM 1421 N ARG A 79 4.446 18.616 6.411 1.00 0.00 N ATOM 1422 CA ARG A 79 4.374 18.613 7.869 1.00 0.00 C ATOM 1423 C ARG A 79 4.969 19.891 8.454 1.00 0.00 C ATOM 1424 O ARG A 79 4.588 20.323 9.541 1.00 0.00 O ATOM 1425 CB ARG A 79 5.102 17.392 8.436 1.00 0.00 C ATOM 1426 CG ARG A 79 6.601 17.400 8.178 1.00 0.00 C ATOM 1427 CD ARG A 79 7.390 17.025 9.424 1.00 0.00 C ATOM 1428 NE ARG A 79 8.180 15.812 9.227 1.00 0.00 N ATOM 1429 CZ ARG A 79 7.675 14.582 9.279 1.00 0.00 C ATOM 1430 NH1 ARG A 79 6.383 14.398 9.525 1.00 0.00 N ATOM 1431 NH2 ARG A 79 8.461 13.533 9.085 1.00 0.00 N ATOM 0 H ARG A 79 4.910 17.801 6.010 1.00 0.00 H new ATOM 0 HA ARG A 79 3.322 18.565 8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.927 17.343 9.511 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.672 16.489 8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.836 16.701 7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.906 18.390 7.838 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.051 17.848 9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.703 16.879 10.258 1.00 0.00 H new ATOM 0 HE ARG A 79 9.177 15.914 9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.773 15.202 9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.001 13.453 9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.454 13.668 8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.073 12.591 9.125 1.00 0.00 H new ATOM 1445 N GLU A 80 5.906 20.493 7.726 1.00 0.00 N ATOM 1446 CA GLU A 80 6.551 21.722 8.175 1.00 0.00 C ATOM 1447 C GLU A 80 5.806 22.949 7.659 1.00 0.00 C ATOM 1448 O GLU A 80 5.763 23.985 8.322 1.00 0.00 O ATOM 1449 CB GLU A 80 8.006 21.760 7.706 1.00 0.00 C ATOM 1450 CG GLU A 80 8.863 20.649 8.290 1.00 0.00 C ATOM 1451 CD GLU A 80 9.768 21.136 9.406 1.00 0.00 C ATOM 1452 OE1 GLU A 80 9.258 21.787 10.341 1.00 0.00 O ATOM 1453 OE2 GLU A 80 10.985 20.864 9.343 1.00 0.00 O ATOM 0 H GLU A 80 6.235 20.150 6.824 1.00 0.00 H new ATOM 0 HA GLU A 80 6.527 21.737 9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.030 21.693 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.441 22.723 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.216 19.858 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.471 20.210 7.499 1.00 0.00 H new ATOM 1460 N ASP A 81 5.220 22.824 6.474 1.00 0.00 N ATOM 1461 CA ASP A 81 4.477 23.923 5.868 1.00 0.00 C ATOM 1462 C ASP A 81 3.190 24.199 6.638 1.00 0.00 C ATOM 1463 O ASP A 81 2.935 23.593 7.679 1.00 0.00 O ATOM 1464 CB ASP A 81 4.153 23.605 4.407 1.00 0.00 C ATOM 1465 CG ASP A 81 5.397 23.327 3.587 1.00 0.00 C ATOM 1466 OD1 ASP A 81 6.416 22.907 4.174 1.00 0.00 O ATOM 1467 OD2 ASP A 81 5.353 23.530 2.354 1.00 0.00 O ATOM 0 H ASP A 81 5.245 21.972 5.913 1.00 0.00 H new ATOM 0 HA ASP A 81 5.102 24.815 5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.492 22.739 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.611 24.442 3.967 1.00 0.00 H new ATOM 1472 N HIS A 82 2.380 25.116 6.120 1.00 0.00 N ATOM 1473 CA HIS A 82 1.118 25.473 6.757 1.00 0.00 C ATOM 1474 C HIS A 82 0.219 24.248 6.911 1.00 0.00 C ATOM 1475 O HIS A 82 0.508 23.184 6.365 1.00 0.00 O ATOM 1476 CB HIS A 82 0.399 26.549 5.939 1.00 0.00 C ATOM 1477 CG HIS A 82 0.645 27.941 6.435 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -0.043 28.495 7.495 1.00 0.00 N ATOM 1479 CD2 HIS A 82 1.510 28.893 6.010 1.00 0.00 C ATOM 1480 CE1 HIS A 82 0.389 29.727 7.699 1.00 0.00 C ATOM 1481 NE2 HIS A 82 1.330 29.992 6.814 1.00 0.00 N ATOM 0 H HIS A 82 2.576 25.626 5.259 1.00 0.00 H new ATOM 0 HA HIS A 82 1.338 25.866 7.750 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.721 26.480 4.900 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.673 26.350 5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 82 2.210 28.804 5.192 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.032 30.403 8.462 1.00 0.00 H new ATOM 0 HE2 HIS A 82 1.842 30.871 6.739 1.00 0.00 H new ATOM 1490 N PRO A 83 -0.888 24.382 7.664 1.00 0.00 N ATOM 1491 CA PRO A 83 -1.828 23.279 7.891 1.00 0.00 C ATOM 1492 C PRO A 83 -2.304 22.648 6.586 1.00 0.00 C ATOM 1493 O PRO A 83 -1.807 22.972 5.509 1.00 0.00 O ATOM 1494 CB PRO A 83 -2.996 23.948 8.619 1.00 0.00 C ATOM 1495 CG PRO A 83 -2.398 25.144 9.275 1.00 0.00 C ATOM 1496 CD PRO A 83 -1.306 25.617 8.356 1.00 0.00 C ATOM 0 HA PRO A 83 -1.371 22.464 8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.786 24.231 7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.443 23.276 9.352 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.146 25.922 9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.999 24.892 10.258 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.668 26.369 7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.482 26.067 8.909 1.00 0.00 H new ATOM 1504 N ASP A 84 -3.273 21.744 6.692 1.00 0.00 N ATOM 1505 CA ASP A 84 -3.820 21.065 5.523 1.00 0.00 C ATOM 1506 C ASP A 84 -4.337 22.069 4.497 1.00 0.00 C ATOM 1507 O ASP A 84 -5.381 22.690 4.693 1.00 0.00 O ATOM 1508 CB ASP A 84 -4.946 20.117 5.937 1.00 0.00 C ATOM 1509 CG ASP A 84 -5.438 19.262 4.785 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -4.628 18.491 4.230 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -6.633 19.364 4.439 1.00 0.00 O ATOM 0 H ASP A 84 -3.696 21.465 7.577 1.00 0.00 H new ATOM 0 HA ASP A 84 -3.017 20.488 5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.595 19.470 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.778 20.698 6.335 1.00 0.00 H new ATOM 1516 N LEU A 85 -3.596 22.224 3.403 1.00 0.00 N ATOM 1517 CA LEU A 85 -3.978 23.153 2.345 1.00 0.00 C ATOM 1518 C LEU A 85 -4.141 22.423 1.015 1.00 0.00 C ATOM 1519 O LEU A 85 -5.144 22.593 0.321 1.00 0.00 O ATOM 1520 CB LEU A 85 -2.931 24.263 2.212 1.00 0.00 C ATOM 1521 CG LEU A 85 -3.453 25.677 2.472 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -4.430 26.094 1.384 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -4.110 25.759 3.842 1.00 0.00 C ATOM 0 H LEU A 85 -2.728 21.718 3.227 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.936 23.599 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.116 24.059 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.510 24.226 1.207 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.608 26.365 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.791 27.103 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.927 26.075 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.273 25.404 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.476 26.772 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.945 25.060 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.381 25.504 4.611 1.00 0.00 H new ATOM 1535 N ILE A 86 -3.148 21.613 0.665 1.00 0.00 N ATOM 1536 CA ILE A 86 -3.181 20.858 -0.582 1.00 0.00 C ATOM 1537 C ILE A 86 -2.630 19.449 -0.383 1.00 0.00 C ATOM 1538 O ILE A 86 -1.969 18.898 -1.265 1.00 0.00 O ATOM 1539 CB ILE A 86 -2.371 21.562 -1.689 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -2.710 23.054 -1.730 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -2.642 20.915 -3.040 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -1.763 23.865 -2.588 1.00 0.00 C ATOM 0 H ILE A 86 -2.310 21.462 1.227 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.225 20.799 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.310 21.455 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.725 23.178 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.697 23.450 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.062 21.424 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.354 19.864 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.704 20.993 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.063 24.913 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.749 23.772 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.794 23.495 -3.613 1.00 0.00 H new ATOM 1554 N GLN A 87 -2.906 18.871 0.779 1.00 0.00 N ATOM 1555 CA GLN A 87 -2.440 17.525 1.095 1.00 0.00 C ATOM 1556 C GLN A 87 -3.581 16.517 1.003 1.00 0.00 C ATOM 1557 O GLN A 87 -3.604 15.523 1.728 1.00 0.00 O ATOM 1558 CB GLN A 87 -1.827 17.491 2.497 1.00 0.00 C ATOM 1559 CG GLN A 87 -1.094 16.196 2.809 1.00 0.00 C ATOM 1560 CD GLN A 87 0.413 16.365 2.809 1.00 0.00 C ATOM 1561 OE1 GLN A 87 1.079 16.100 3.810 1.00 0.00 O ATOM 1562 NE2 GLN A 87 0.961 16.805 1.682 1.00 0.00 N ATOM 0 H GLN A 87 -3.451 19.313 1.520 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.678 17.251 0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.134 18.326 2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.617 17.638 3.234 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.415 15.827 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.371 15.440 2.075 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.372 17.013 0.876 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.971 16.935 1.623 1.00 0.00 H new ATOM 1571 N ASN A 88 -4.525 16.781 0.106 1.00 0.00 N ATOM 1572 CA ASN A 88 -5.670 15.896 -0.083 1.00 0.00 C ATOM 1573 C ASN A 88 -5.884 15.592 -1.561 1.00 0.00 C ATOM 1574 O ASN A 88 -5.726 14.452 -2.000 1.00 0.00 O ATOM 1575 CB ASN A 88 -6.931 16.527 0.509 1.00 0.00 C ATOM 1576 CG ASN A 88 -8.019 15.506 0.775 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -8.473 14.813 -0.137 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -8.441 15.403 2.029 1.00 0.00 N ATOM 0 H ASN A 88 -4.520 17.600 -0.502 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.464 14.959 0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.677 17.034 1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.309 17.287 -0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.169 14.730 2.268 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.037 15.997 2.753 1.00 0.00 H new ATOM 1585 N ALA A 89 -6.248 16.617 -2.325 1.00 0.00 N ATOM 1586 CA ALA A 89 -6.485 16.458 -3.755 1.00 0.00 C ATOM 1587 C ALA A 89 -6.791 17.799 -4.412 1.00 0.00 C ATOM 1588 O ALA A 89 -7.946 18.113 -4.697 1.00 0.00 O ATOM 1589 CB ALA A 89 -7.623 15.478 -3.996 1.00 0.00 C ATOM 0 H ALA A 89 -6.385 17.566 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.576 16.060 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.789 15.369 -5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.365 14.509 -3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.532 15.853 -3.525 1.00 0.00 H new ATOM 1595 N LYS A 90 -5.749 18.588 -4.650 1.00 0.00 N ATOM 1596 CA LYS A 90 -5.905 19.897 -5.274 1.00 0.00 C ATOM 1597 C LYS A 90 -4.790 20.158 -6.281 1.00 0.00 C ATOM 1598 O LYS A 90 -3.753 20.725 -5.939 1.00 0.00 O ATOM 1599 CB LYS A 90 -5.914 20.994 -4.208 1.00 0.00 C ATOM 1600 CG LYS A 90 -7.249 21.140 -3.494 1.00 0.00 C ATOM 1601 CD LYS A 90 -7.627 22.601 -3.308 1.00 0.00 C ATOM 1602 CE LYS A 90 -8.903 22.747 -2.496 1.00 0.00 C ATOM 1603 NZ LYS A 90 -9.805 23.788 -3.063 1.00 0.00 N ATOM 0 H LYS A 90 -4.786 18.343 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.857 19.908 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.139 20.779 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.656 21.944 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.026 20.633 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.198 20.650 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.814 23.127 -2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.759 23.071 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.426 21.791 -2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.651 23.005 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.664 23.857 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.316 24.706 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.066 23.529 -4.036 1.00 0.00 H new ATOM 1617 N LYS A 91 -5.013 19.741 -7.523 1.00 0.00 N ATOM 1618 CA LYS A 91 -4.027 19.932 -8.580 1.00 0.00 C ATOM 1619 C LYS A 91 -2.716 19.230 -8.236 1.00 0.00 C ATOM 1620 O LYS A 91 -1.958 19.770 -7.404 1.00 0.00 O ATOM 1621 CB LYS A 91 -3.777 21.424 -8.810 1.00 0.00 C ATOM 1622 CG LYS A 91 -3.782 21.823 -10.279 1.00 0.00 C ATOM 1623 CD LYS A 91 -2.414 22.313 -10.737 1.00 0.00 C ATOM 1624 CE LYS A 91 -2.473 23.747 -11.235 1.00 0.00 C ATOM 1625 NZ LYS A 91 -2.891 24.690 -10.163 1.00 0.00 N ATOM 0 H LYS A 91 -5.867 19.269 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.423 19.492 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.540 21.997 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.816 21.695 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.085 20.970 -10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.522 22.607 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.706 22.243 -9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.042 21.666 -11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.494 24.040 -11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.171 23.813 -12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.617 25.658 -10.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.923 24.643 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.426 24.429 -9.270 1.00 0.00 H new TER 1639 LYS A 91