USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 Single : A 8 SER OG : rot 180:sc=-0.00636 USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.08) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 15 SER OG : rot 61:sc= 1.2 USER MOD Single : A 16 MET CE :methyl -122:sc= -0.0407 (180deg=-0.335) USER MOD Single : A 18 SER OG : rot 170:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 47:sc= 0.303 USER MOD Single : A 34 SER OG : rot -50:sc= 0.0359 USER MOD Single : A 36 ASN : amide:sc= -0.033 X(o=-0.033,f=-0.48) USER MOD Single : A 42 ASN : amide:sc= -0.0274 K(o=-0.027,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 0.951 (180deg=0.946) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 94:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.068) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 160:sc= -0.226 USER MOD Single : A 70 ASN : amide:sc= -0.739 K(o=-0.74,f=-2.1!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -113:sc= -0.393 (180deg=-1.16) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -75:sc= 1.25 USER MOD Single : A 95 GLN : amide:sc= -0.375 X(o=-0.37,f=0) USER MOD Single : A 102 SER OG : rot 24:sc= 1.93 USER MOD ----------------------------------------------------------------- ATOM 28 N ARG A 3 7.919 -4.197 7.849 1.00 0.00 N ATOM 29 CA ARG A 3 7.487 -4.293 6.470 1.00 0.00 C ATOM 30 C ARG A 3 6.520 -3.177 6.192 1.00 0.00 C ATOM 31 O ARG A 3 5.835 -2.676 7.080 1.00 0.00 O ATOM 32 CB ARG A 3 6.934 -5.695 6.168 1.00 0.00 C ATOM 33 CG ARG A 3 8.139 -6.584 5.823 1.00 0.00 C ATOM 34 CD ARG A 3 8.227 -7.981 6.440 1.00 0.00 C ATOM 35 NE ARG A 3 7.694 -9.063 5.599 1.00 0.00 N ATOM 36 CZ ARG A 3 7.189 -10.216 6.059 1.00 0.00 C ATOM 37 NH1 ARG A 3 7.072 -10.468 7.358 1.00 0.00 N ATOM 38 NH2 ARG A 3 6.784 -11.140 5.196 1.00 0.00 N ATOM 0 HA ARG A 3 8.329 -4.170 5.789 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.395 -6.091 7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.228 -5.661 5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.164 -6.700 4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.041 -6.041 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.271 -8.197 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.689 -7.978 7.388 1.00 0.00 H new ATOM 0 HE ARG A 3 7.710 -8.926 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.371 -9.772 8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.683 -11.357 7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.859 -10.969 4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.398 -12.021 5.536 1.00 0.00 H new ATOM 52 N VAL A 4 6.491 -2.802 4.933 1.00 0.00 N ATOM 53 CA VAL A 4 5.679 -1.776 4.318 1.00 0.00 C ATOM 54 C VAL A 4 4.974 -2.508 3.171 1.00 0.00 C ATOM 55 O VAL A 4 5.364 -3.624 2.820 1.00 0.00 O ATOM 56 CB VAL A 4 6.665 -0.646 3.915 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.357 -1.025 2.610 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.069 0.767 3.800 1.00 0.00 C ATOM 0 H VAL A 4 7.096 -3.253 4.246 1.00 0.00 H new ATOM 0 HA VAL A 4 4.911 -1.297 4.925 1.00 0.00 H new ATOM 0 HB VAL A 4 7.368 -0.575 4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.050 -0.234 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.906 -1.957 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.610 -1.155 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.851 1.470 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.284 0.770 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.649 1.064 4.761 1.00 0.00 H new ATOM 68 N ALA A 5 3.965 -1.911 2.550 1.00 0.00 N ATOM 69 CA ALA A 5 3.465 -2.396 1.276 1.00 0.00 C ATOM 70 C ALA A 5 3.343 -1.181 0.372 1.00 0.00 C ATOM 71 O ALA A 5 3.045 -0.080 0.847 1.00 0.00 O ATOM 72 CB ALA A 5 2.114 -3.095 1.447 1.00 0.00 C ATOM 0 H ALA A 5 3.478 -1.090 2.910 1.00 0.00 H new ATOM 0 HA ALA A 5 4.140 -3.135 0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.762 -3.449 0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.226 -3.942 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.391 -2.393 1.861 1.00 0.00 H new ATOM 78 N ILE A 6 3.517 -1.377 -0.927 1.00 0.00 N ATOM 79 CA ILE A 6 3.349 -0.347 -1.929 1.00 0.00 C ATOM 80 C ILE A 6 2.422 -0.952 -2.996 1.00 0.00 C ATOM 81 O ILE A 6 2.728 -2.017 -3.535 1.00 0.00 O ATOM 82 CB ILE A 6 4.693 0.172 -2.473 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.655 0.622 -1.353 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.461 1.344 -3.440 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.615 -0.488 -0.909 1.00 0.00 C ATOM 0 H ILE A 6 3.785 -2.280 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 6 2.897 0.553 -1.513 1.00 0.00 H new ATOM 0 HB ILE A 6 5.159 -0.663 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.233 1.478 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.073 0.957 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.420 1.700 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.845 1.010 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.954 2.154 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.266 -0.112 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.042 -1.336 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.220 -0.807 -1.758 1.00 0.00 H new ATOM 97 N PRO A 7 1.255 -0.338 -3.238 1.00 0.00 N ATOM 98 CA PRO A 7 0.297 -0.703 -4.253 1.00 0.00 C ATOM 99 C PRO A 7 0.942 -0.413 -5.605 1.00 0.00 C ATOM 100 O PRO A 7 1.339 0.719 -5.866 1.00 0.00 O ATOM 101 CB PRO A 7 -0.919 0.192 -3.969 1.00 0.00 C ATOM 102 CG PRO A 7 -0.371 1.434 -3.290 1.00 0.00 C ATOM 103 CD PRO A 7 0.914 0.944 -2.689 1.00 0.00 C ATOM 0 HA PRO A 7 -0.005 -1.750 -4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.439 0.449 -4.892 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.639 -0.318 -3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.203 2.243 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.054 1.814 -2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.713 1.658 -2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.814 0.870 -1.606 1.00 0.00 H new ATOM 111 N SER A 8 1.030 -1.409 -6.467 1.00 0.00 N ATOM 112 CA SER A 8 1.727 -1.372 -7.740 1.00 0.00 C ATOM 113 C SER A 8 0.758 -1.836 -8.835 1.00 0.00 C ATOM 114 O SER A 8 -0.304 -2.396 -8.535 1.00 0.00 O ATOM 115 CB SER A 8 2.927 -2.305 -7.589 1.00 0.00 C ATOM 116 OG SER A 8 3.587 -2.484 -8.816 1.00 0.00 O ATOM 0 H SER A 8 0.594 -2.314 -6.289 1.00 0.00 H new ATOM 0 HA SER A 8 2.073 -0.376 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.621 -1.894 -6.856 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.595 -3.270 -7.207 1.00 0.00 H new ATOM 0 HG SER A 8 4.352 -3.084 -8.692 1.00 0.00 H new ATOM 122 N VAL A 9 1.143 -1.660 -10.101 1.00 0.00 N ATOM 123 CA VAL A 9 0.473 -2.276 -11.243 1.00 0.00 C ATOM 124 C VAL A 9 1.490 -3.032 -12.114 1.00 0.00 C ATOM 125 O VAL A 9 1.334 -3.106 -13.328 1.00 0.00 O ATOM 126 CB VAL A 9 -0.304 -1.192 -12.035 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.265 -0.436 -11.115 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.557 -0.117 -12.723 1.00 0.00 C ATOM 0 H VAL A 9 1.939 -1.078 -10.363 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.252 -3.013 -10.897 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.808 -1.768 -12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.800 0.320 -11.690 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.980 -1.136 -10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.701 0.047 -10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.090 0.587 -13.246 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.142 0.416 -11.973 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.229 -0.592 -13.438 1.00 0.00 H new ATOM 138 N GLY A 10 2.485 -3.696 -11.523 1.00 0.00 N ATOM 139 CA GLY A 10 3.405 -4.557 -12.256 1.00 0.00 C ATOM 140 C GLY A 10 4.285 -5.353 -11.302 1.00 0.00 C ATOM 141 O GLY A 10 4.174 -5.231 -10.083 1.00 0.00 O ATOM 0 H GLY A 10 2.673 -3.650 -10.522 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.841 -5.240 -12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.030 -3.952 -12.913 1.00 0.00 H new ATOM 145 N LYS A 11 5.208 -6.153 -11.836 1.00 0.00 N ATOM 146 CA LYS A 11 6.031 -7.094 -11.070 1.00 0.00 C ATOM 147 C LYS A 11 7.497 -6.672 -11.130 1.00 0.00 C ATOM 148 O LYS A 11 8.386 -7.511 -11.299 1.00 0.00 O ATOM 149 CB LYS A 11 5.811 -8.534 -11.570 1.00 0.00 C ATOM 150 CG LYS A 11 4.393 -9.040 -11.434 1.00 0.00 C ATOM 151 CD LYS A 11 4.293 -10.545 -11.722 1.00 0.00 C ATOM 152 CE LYS A 11 4.621 -11.344 -10.457 1.00 0.00 C ATOM 153 NZ LYS A 11 4.342 -12.775 -10.642 1.00 0.00 N ATOM 0 H LYS A 11 5.410 -6.166 -12.836 1.00 0.00 H new ATOM 0 HA LYS A 11 5.729 -7.074 -10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.103 -8.589 -12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.475 -9.201 -11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.030 -8.838 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.745 -8.495 -12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.289 -10.791 -12.067 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.981 -10.817 -12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.671 -11.206 -10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.035 -10.962 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.714 -13.309 -9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.315 -12.922 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.800 -13.108 -11.514 1.00 0.00 H new ATOM 167 N ASP A 12 7.751 -5.369 -11.048 1.00 0.00 N ATOM 168 CA ASP A 12 9.082 -4.780 -11.012 1.00 0.00 C ATOM 169 C ASP A 12 9.044 -3.589 -10.074 1.00 0.00 C ATOM 170 O ASP A 12 8.044 -2.870 -10.024 1.00 0.00 O ATOM 171 CB ASP A 12 9.500 -4.301 -12.405 1.00 0.00 C ATOM 172 CG ASP A 12 9.886 -5.429 -13.356 1.00 0.00 C ATOM 173 OD1 ASP A 12 11.018 -5.939 -13.240 1.00 0.00 O ATOM 174 OD2 ASP A 12 9.047 -5.801 -14.210 1.00 0.00 O ATOM 0 H ASP A 12 7.008 -4.672 -11.003 1.00 0.00 H new ATOM 0 HA ASP A 12 9.799 -5.527 -10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.680 -3.733 -12.844 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.344 -3.618 -12.306 1.00 0.00 H new ATOM 179 N LEU A 13 10.157 -3.316 -9.406 1.00 0.00 N ATOM 180 CA LEU A 13 10.393 -2.147 -8.549 1.00 0.00 C ATOM 181 C LEU A 13 10.281 -0.825 -9.314 1.00 0.00 C ATOM 182 O LEU A 13 10.198 0.246 -8.721 1.00 0.00 O ATOM 183 CB LEU A 13 11.796 -2.317 -7.947 1.00 0.00 C ATOM 184 CG LEU A 13 12.130 -1.770 -6.548 1.00 0.00 C ATOM 185 CD1 LEU A 13 12.107 -0.245 -6.523 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.259 -2.384 -5.441 1.00 0.00 C ATOM 0 H LEU A 13 10.968 -3.934 -9.445 1.00 0.00 H new ATOM 0 HA LEU A 13 9.630 -2.098 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.009 -3.386 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.500 -1.862 -8.644 1.00 0.00 H new ATOM 0 HG LEU A 13 13.151 -2.083 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.347 0.106 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.842 0.142 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.115 0.109 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.542 -1.959 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.210 -2.166 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.407 -3.464 -5.418 1.00 0.00 H new ATOM 198 N SER A 14 10.209 -0.887 -10.637 1.00 0.00 N ATOM 199 CA SER A 14 9.933 0.273 -11.452 1.00 0.00 C ATOM 200 C SER A 14 8.571 0.162 -12.137 1.00 0.00 C ATOM 201 O SER A 14 8.382 0.681 -13.241 1.00 0.00 O ATOM 202 CB SER A 14 11.041 0.296 -12.499 1.00 0.00 C ATOM 203 OG SER A 14 11.280 -0.993 -13.065 1.00 0.00 O ATOM 0 H SER A 14 10.341 -1.747 -11.169 1.00 0.00 H new ATOM 0 HA SER A 14 9.905 1.181 -10.850 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.774 0.994 -13.292 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.960 0.666 -12.044 1.00 0.00 H new ATOM 0 HG SER A 14 11.996 -0.930 -13.731 1.00 0.00 H new ATOM 209 N SER A 15 7.571 -0.410 -11.466 1.00 0.00 N ATOM 210 CA SER A 15 6.204 -0.361 -11.998 1.00 0.00 C ATOM 211 C SER A 15 5.506 0.894 -11.463 1.00 0.00 C ATOM 212 O SER A 15 6.002 1.472 -10.502 1.00 0.00 O ATOM 213 CB SER A 15 5.413 -1.606 -11.588 1.00 0.00 C ATOM 214 OG SER A 15 6.141 -2.787 -11.866 1.00 0.00 O ATOM 0 H SER A 15 7.673 -0.900 -10.577 1.00 0.00 H new ATOM 0 HA SER A 15 6.249 -0.330 -13.087 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.182 -1.560 -10.524 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.462 -1.628 -12.120 1.00 0.00 H new ATOM 0 HG SER A 15 6.981 -2.780 -11.362 1.00 0.00 H new ATOM 220 N MET A 16 4.343 1.303 -11.977 1.00 0.00 N ATOM 221 CA MET A 16 3.695 2.517 -11.473 1.00 0.00 C ATOM 222 C MET A 16 3.007 2.190 -10.145 1.00 0.00 C ATOM 223 O MET A 16 2.432 1.110 -9.987 1.00 0.00 O ATOM 224 CB MET A 16 2.667 3.039 -12.495 1.00 0.00 C ATOM 225 CG MET A 16 3.188 4.248 -13.288 1.00 0.00 C ATOM 226 SD MET A 16 2.188 5.762 -13.132 1.00 0.00 S ATOM 227 CE MET A 16 2.323 6.111 -11.361 1.00 0.00 C ATOM 0 H MET A 16 3.840 0.825 -12.724 1.00 0.00 H new ATOM 0 HA MET A 16 4.442 3.296 -11.318 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.409 2.238 -13.188 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.751 3.317 -11.974 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.204 4.467 -12.961 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.244 3.975 -14.342 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.327 6.138 -10.918 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.913 5.331 -10.880 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.810 7.075 -11.216 1.00 0.00 H new ATOM 237 N VAL A 17 3.091 3.107 -9.178 1.00 0.00 N ATOM 238 CA VAL A 17 2.356 2.986 -7.920 1.00 0.00 C ATOM 239 C VAL A 17 0.884 3.264 -8.237 1.00 0.00 C ATOM 240 O VAL A 17 0.544 4.146 -9.032 1.00 0.00 O ATOM 241 CB VAL A 17 2.981 3.883 -6.825 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.304 3.900 -5.450 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.399 3.403 -6.558 1.00 0.00 C ATOM 0 H VAL A 17 3.666 3.947 -9.245 1.00 0.00 H new ATOM 0 HA VAL A 17 2.421 1.985 -7.493 1.00 0.00 H new ATOM 0 HB VAL A 17 2.882 4.886 -7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.848 4.570 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.277 4.249 -5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.305 2.894 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.855 4.025 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.375 2.367 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.985 3.472 -7.474 1.00 0.00 H new ATOM 253 N SER A 18 0.002 2.442 -7.681 1.00 0.00 N ATOM 254 CA SER A 18 -1.418 2.463 -7.988 1.00 0.00 C ATOM 255 C SER A 18 -2.102 3.466 -7.063 1.00 0.00 C ATOM 256 O SER A 18 -1.869 3.464 -5.857 1.00 0.00 O ATOM 257 CB SER A 18 -1.997 1.047 -7.883 1.00 0.00 C ATOM 258 OG SER A 18 -3.159 0.906 -8.688 1.00 0.00 O ATOM 0 H SER A 18 0.260 1.733 -6.995 1.00 0.00 H new ATOM 0 HA SER A 18 -1.593 2.788 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.246 0.320 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.242 0.828 -6.844 1.00 0.00 H new ATOM 0 HG SER A 18 -3.414 -0.039 -8.731 1.00 0.00 H new ATOM 264 N ASP A 19 -2.997 4.292 -7.625 1.00 0.00 N ATOM 265 CA ASP A 19 -3.610 5.422 -6.928 1.00 0.00 C ATOM 266 C ASP A 19 -4.760 4.946 -6.010 1.00 0.00 C ATOM 267 O ASP A 19 -5.806 5.573 -5.899 1.00 0.00 O ATOM 268 CB ASP A 19 -4.156 6.425 -7.979 1.00 0.00 C ATOM 269 CG ASP A 19 -3.111 7.382 -8.544 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.296 6.957 -9.392 1.00 0.00 O ATOM 271 OD2 ASP A 19 -3.131 8.580 -8.174 1.00 0.00 O ATOM 0 H ASP A 19 -3.316 4.189 -8.588 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.858 5.905 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.599 5.864 -8.802 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.956 7.009 -7.524 1.00 0.00 H new ATOM 276 N ARG A 20 -4.601 3.787 -5.348 1.00 0.00 N ATOM 277 CA ARG A 20 -5.720 3.095 -4.708 1.00 0.00 C ATOM 278 C ARG A 20 -5.219 1.871 -3.956 1.00 0.00 C ATOM 279 O ARG A 20 -5.083 0.816 -4.572 1.00 0.00 O ATOM 280 CB ARG A 20 -6.768 2.641 -5.763 1.00 0.00 C ATOM 281 CG ARG A 20 -6.254 2.237 -7.163 1.00 0.00 C ATOM 282 CD ARG A 20 -7.408 2.222 -8.172 1.00 0.00 C ATOM 283 NE ARG A 20 -7.611 3.541 -8.795 1.00 0.00 N ATOM 284 CZ ARG A 20 -6.868 4.041 -9.791 1.00 0.00 C ATOM 285 NH1 ARG A 20 -5.860 3.350 -10.297 1.00 0.00 N ATOM 286 NH2 ARG A 20 -7.132 5.234 -10.295 1.00 0.00 N ATOM 0 H ARG A 20 -3.704 3.313 -5.245 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.189 3.792 -4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.314 1.793 -5.349 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.486 3.451 -5.891 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.485 2.936 -7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.790 1.252 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.203 1.483 -8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.325 1.913 -7.670 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.375 4.117 -8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.640 2.424 -9.929 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.302 3.743 -11.055 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.908 5.783 -9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.560 5.605 -11.053 1.00 0.00 H new ATOM 300 N PHE A 21 -5.027 1.936 -2.635 1.00 0.00 N ATOM 301 CA PHE A 21 -4.552 0.783 -1.889 1.00 0.00 C ATOM 302 C PHE A 21 -5.402 -0.468 -2.119 1.00 0.00 C ATOM 303 O PHE A 21 -4.865 -1.516 -2.449 1.00 0.00 O ATOM 304 CB PHE A 21 -4.489 1.126 -0.399 1.00 0.00 C ATOM 305 CG PHE A 21 -4.247 -0.084 0.471 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.152 -0.918 0.192 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.123 -0.394 1.527 1.00 0.00 C ATOM 308 CE1 PHE A 21 -2.931 -2.071 0.953 1.00 0.00 C ATOM 309 CE2 PHE A 21 -4.886 -1.538 2.307 1.00 0.00 C ATOM 310 CZ PHE A 21 -3.790 -2.372 2.025 1.00 0.00 C ATOM 0 H PHE A 21 -5.193 2.769 -2.071 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.554 0.546 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.694 1.853 -0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.423 1.601 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.478 -0.668 -0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.970 0.242 1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.105 -2.726 0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.548 -1.778 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.607 -3.246 2.633 1.00 0.00 H new ATOM 320 N ALA A 22 -6.726 -0.393 -1.963 1.00 0.00 N ATOM 321 CA ALA A 22 -7.551 -1.592 -1.986 1.00 0.00 C ATOM 322 C ALA A 22 -7.735 -2.147 -3.402 1.00 0.00 C ATOM 323 O ALA A 22 -8.401 -3.170 -3.565 1.00 0.00 O ATOM 324 CB ALA A 22 -8.908 -1.275 -1.360 1.00 0.00 C ATOM 0 H ALA A 22 -7.240 0.477 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.041 -2.364 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.532 -2.168 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.766 -0.947 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.395 -0.483 -1.929 1.00 0.00 H new ATOM 330 N ARG A 23 -7.213 -1.468 -4.430 1.00 0.00 N ATOM 331 CA ARG A 23 -7.468 -1.796 -5.819 1.00 0.00 C ATOM 332 C ARG A 23 -6.150 -1.914 -6.574 1.00 0.00 C ATOM 333 O ARG A 23 -6.086 -1.479 -7.719 1.00 0.00 O ATOM 334 CB ARG A 23 -8.404 -0.722 -6.409 1.00 0.00 C ATOM 335 CG ARG A 23 -9.719 -1.345 -6.848 1.00 0.00 C ATOM 336 CD ARG A 23 -9.587 -2.345 -8.013 1.00 0.00 C ATOM 337 NE ARG A 23 -9.828 -1.739 -9.329 1.00 0.00 N ATOM 338 CZ ARG A 23 -8.978 -1.171 -10.194 1.00 0.00 C ATOM 339 NH1 ARG A 23 -7.701 -0.950 -9.903 1.00 0.00 N ATOM 340 NH2 ARG A 23 -9.444 -0.799 -11.375 1.00 0.00 N ATOM 0 H ARG A 23 -6.594 -0.666 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.964 -2.762 -5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.592 0.053 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.922 -0.238 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.169 -1.855 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.404 -0.550 -7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.587 -2.779 -7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.292 -3.163 -7.863 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.801 -1.753 -9.634 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.333 -1.216 -8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.089 -0.514 -10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.426 -0.948 -11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.821 -0.364 -12.055 1.00 0.00 H new ATOM 354 N ALA A 24 -5.115 -2.482 -5.963 1.00 0.00 N ATOM 355 CA ALA A 24 -3.773 -2.346 -6.492 1.00 0.00 C ATOM 356 C ALA A 24 -3.294 -3.738 -6.872 1.00 0.00 C ATOM 357 O ALA A 24 -3.087 -4.563 -5.989 1.00 0.00 O ATOM 358 CB ALA A 24 -2.841 -1.706 -5.466 1.00 0.00 C ATOM 0 H ALA A 24 -5.184 -3.035 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.772 -1.692 -7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.841 -1.616 -5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.214 -0.716 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.802 -2.328 -4.572 1.00 0.00 H new ATOM 364 N GLU A 25 -3.190 -4.002 -8.168 1.00 0.00 N ATOM 365 CA GLU A 25 -2.985 -5.323 -8.770 1.00 0.00 C ATOM 366 C GLU A 25 -1.797 -6.119 -8.214 1.00 0.00 C ATOM 367 O GLU A 25 -1.794 -7.348 -8.295 1.00 0.00 O ATOM 368 CB GLU A 25 -2.806 -5.101 -10.277 1.00 0.00 C ATOM 369 CG GLU A 25 -4.143 -4.779 -10.948 1.00 0.00 C ATOM 370 CD GLU A 25 -3.998 -4.530 -12.453 1.00 0.00 C ATOM 371 OE1 GLU A 25 -3.744 -3.361 -12.815 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.143 -5.479 -13.262 1.00 0.00 O ATOM 0 H GLU A 25 -3.249 -3.264 -8.869 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.855 -5.933 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.104 -4.284 -10.447 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.373 -5.993 -10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.836 -5.604 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.579 -3.898 -10.477 1.00 0.00 H new ATOM 379 N TYR A 26 -0.794 -5.450 -7.654 1.00 0.00 N ATOM 380 CA TYR A 26 0.373 -6.046 -7.063 1.00 0.00 C ATOM 381 C TYR A 26 0.666 -5.258 -5.793 1.00 0.00 C ATOM 382 O TYR A 26 0.379 -4.059 -5.732 1.00 0.00 O ATOM 383 CB TYR A 26 1.526 -5.967 -8.075 1.00 0.00 C ATOM 384 CG TYR A 26 1.281 -6.719 -9.371 1.00 0.00 C ATOM 385 CD1 TYR A 26 1.619 -8.077 -9.486 1.00 0.00 C ATOM 386 CD2 TYR A 26 0.748 -6.044 -10.483 1.00 0.00 C ATOM 387 CE1 TYR A 26 1.523 -8.709 -10.735 1.00 0.00 C ATOM 388 CE2 TYR A 26 0.628 -6.681 -11.729 1.00 0.00 C ATOM 389 CZ TYR A 26 1.040 -8.021 -11.863 1.00 0.00 C ATOM 390 OH TYR A 26 1.018 -8.646 -13.071 1.00 0.00 O ATOM 0 H TYR A 26 -0.784 -4.431 -7.604 1.00 0.00 H new ATOM 0 HA TYR A 26 0.233 -7.097 -6.811 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.716 -4.919 -8.308 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.430 -6.359 -7.608 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.950 -8.631 -8.620 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.425 -5.019 -10.377 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.825 -9.741 -10.832 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.223 -6.148 -12.577 1.00 0.00 H new ATOM 0 HH TYR A 26 0.656 -8.037 -13.748 1.00 0.00 H new ATOM 400 N PHE A 27 1.271 -5.899 -4.796 1.00 0.00 N ATOM 401 CA PHE A 27 1.673 -5.265 -3.548 1.00 0.00 C ATOM 402 C PHE A 27 3.122 -5.623 -3.297 1.00 0.00 C ATOM 403 O PHE A 27 3.455 -6.787 -3.087 1.00 0.00 O ATOM 404 CB PHE A 27 0.788 -5.697 -2.381 1.00 0.00 C ATOM 405 CG PHE A 27 -0.627 -5.184 -2.457 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.891 -3.829 -2.195 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.674 -6.056 -2.805 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.204 -3.347 -2.300 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.984 -5.571 -2.910 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.244 -4.214 -2.677 1.00 0.00 C ATOM 0 H PHE A 27 1.499 -6.892 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 27 1.558 -4.184 -3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.766 -6.786 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.238 -5.352 -1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.088 -3.163 -1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.468 -7.100 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.416 -2.309 -2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.791 -6.241 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.248 -3.832 -2.788 1.00 0.00 H new ATOM 420 N ILE A 28 3.980 -4.620 -3.367 1.00 0.00 N ATOM 421 CA ILE A 28 5.413 -4.760 -3.202 1.00 0.00 C ATOM 422 C ILE A 28 5.686 -4.533 -1.733 1.00 0.00 C ATOM 423 O ILE A 28 5.336 -3.482 -1.204 1.00 0.00 O ATOM 424 CB ILE A 28 6.145 -3.791 -4.146 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.651 -3.957 -5.599 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.658 -4.031 -4.059 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.540 -5.419 -6.061 1.00 0.00 C ATOM 0 H ILE A 28 3.689 -3.659 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 28 5.787 -5.746 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 28 5.928 -2.769 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.675 -3.481 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.332 -3.427 -6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.175 -3.343 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.995 -3.863 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.881 -5.057 -4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.187 -5.449 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.518 -5.896 -5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.836 -5.951 -5.421 1.00 0.00 H new ATOM 439 N ILE A 29 6.218 -5.543 -1.058 1.00 0.00 N ATOM 440 CA ILE A 29 6.390 -5.549 0.387 1.00 0.00 C ATOM 441 C ILE A 29 7.881 -5.499 0.636 1.00 0.00 C ATOM 442 O ILE A 29 8.551 -6.511 0.456 1.00 0.00 O ATOM 443 CB ILE A 29 5.700 -6.784 0.992 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.185 -6.672 0.749 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.028 -6.997 2.483 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.473 -7.976 1.070 1.00 0.00 C ATOM 0 H ILE A 29 6.548 -6.397 -1.509 1.00 0.00 H new ATOM 0 HA ILE A 29 5.922 -4.693 0.873 1.00 0.00 H new ATOM 0 HB ILE A 29 6.089 -7.671 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.775 -5.871 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.001 -6.402 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.509 -7.884 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.103 -7.130 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.704 -6.127 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.405 -7.862 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.866 -8.771 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.637 -8.232 2.117 1.00 0.00 H new ATOM 458 N TYR A 30 8.397 -4.316 0.956 1.00 0.00 N ATOM 459 CA TYR A 30 9.797 -4.109 1.292 1.00 0.00 C ATOM 460 C TYR A 30 9.967 -4.471 2.767 1.00 0.00 C ATOM 461 O TYR A 30 9.085 -4.185 3.582 1.00 0.00 O ATOM 462 CB TYR A 30 10.139 -2.628 1.049 1.00 0.00 C ATOM 463 CG TYR A 30 11.603 -2.269 1.207 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.561 -2.790 0.320 1.00 0.00 C ATOM 465 CD2 TYR A 30 12.011 -1.410 2.244 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.925 -2.494 0.491 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.377 -1.144 2.449 1.00 0.00 C ATOM 468 CZ TYR A 30 14.343 -1.695 1.581 1.00 0.00 C ATOM 469 OH TYR A 30 15.661 -1.431 1.798 1.00 0.00 O ATOM 0 H TYR A 30 7.842 -3.461 0.989 1.00 0.00 H new ATOM 0 HA TYR A 30 10.461 -4.724 0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.822 -2.359 0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.556 -2.019 1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.247 -3.422 -0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.272 -0.953 2.885 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.653 -2.876 -0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.687 -0.517 3.272 1.00 0.00 H new ATOM 0 HH TYR A 30 15.755 -0.865 2.593 1.00 0.00 H new ATOM 479 N ASP A 31 11.089 -5.100 3.094 1.00 0.00 N ATOM 480 CA ASP A 31 11.444 -5.643 4.392 1.00 0.00 C ATOM 481 C ASP A 31 12.679 -4.939 4.920 1.00 0.00 C ATOM 482 O ASP A 31 13.776 -5.124 4.372 1.00 0.00 O ATOM 483 CB ASP A 31 11.754 -7.134 4.238 1.00 0.00 C ATOM 484 CG ASP A 31 11.689 -7.889 5.556 1.00 0.00 C ATOM 485 OD1 ASP A 31 11.901 -7.275 6.622 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.405 -9.108 5.479 1.00 0.00 O ATOM 0 H ASP A 31 11.826 -5.253 2.406 1.00 0.00 H new ATOM 0 HA ASP A 31 10.616 -5.498 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.047 -7.577 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.748 -7.251 3.806 1.00 0.00 H new ATOM 491 N THR A 32 12.544 -4.132 5.971 1.00 0.00 N ATOM 492 CA THR A 32 13.645 -3.289 6.413 1.00 0.00 C ATOM 493 C THR A 32 14.585 -4.069 7.353 1.00 0.00 C ATOM 494 O THR A 32 15.021 -3.577 8.392 1.00 0.00 O ATOM 495 CB THR A 32 13.119 -1.915 6.877 1.00 0.00 C ATOM 496 OG1 THR A 32 12.752 -1.858 8.239 1.00 0.00 O ATOM 497 CG2 THR A 32 11.998 -1.307 6.020 1.00 0.00 C ATOM 0 H THR A 32 11.692 -4.047 6.525 1.00 0.00 H new ATOM 0 HA THR A 32 14.307 -3.025 5.589 1.00 0.00 H new ATOM 0 HB THR A 32 14.004 -1.295 6.732 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.454 -2.270 8.785 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.704 -0.343 6.436 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.355 -1.169 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.139 -1.977 6.016 1.00 0.00 H new ATOM 505 N GLU A 33 14.880 -5.318 6.985 1.00 0.00 N ATOM 506 CA GLU A 33 15.798 -6.221 7.672 1.00 0.00 C ATOM 507 C GLU A 33 16.850 -6.790 6.751 1.00 0.00 C ATOM 508 O GLU A 33 17.954 -7.068 7.223 1.00 0.00 O ATOM 509 CB GLU A 33 15.040 -7.397 8.300 1.00 0.00 C ATOM 510 CG GLU A 33 14.430 -7.069 9.659 1.00 0.00 C ATOM 511 CD GLU A 33 15.405 -7.315 10.811 1.00 0.00 C ATOM 512 OE1 GLU A 33 15.441 -8.453 11.337 1.00 0.00 O ATOM 513 OE2 GLU A 33 16.111 -6.364 11.220 1.00 0.00 O ATOM 0 H GLU A 33 14.463 -5.745 6.158 1.00 0.00 H new ATOM 0 HA GLU A 33 16.286 -5.620 8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.248 -7.713 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.721 -8.241 8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.115 -6.026 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.536 -7.674 9.808 1.00 0.00 H new ATOM 520 N SER A 34 16.549 -6.951 5.461 1.00 0.00 N ATOM 521 CA SER A 34 17.647 -7.006 4.513 1.00 0.00 C ATOM 522 C SER A 34 17.240 -6.407 3.164 1.00 0.00 C ATOM 523 O SER A 34 17.777 -6.782 2.119 1.00 0.00 O ATOM 524 CB SER A 34 18.006 -8.501 4.359 1.00 0.00 C ATOM 525 OG SER A 34 19.288 -8.711 3.804 1.00 0.00 O ATOM 0 H SER A 34 15.611 -7.040 5.071 1.00 0.00 H new ATOM 0 HA SER A 34 18.499 -6.425 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.957 -8.982 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.260 -8.984 3.728 1.00 0.00 H new ATOM 0 HG SER A 34 19.384 -8.174 2.990 1.00 0.00 H new ATOM 531 N GLY A 35 16.405 -5.365 3.168 1.00 0.00 N ATOM 532 CA GLY A 35 15.894 -4.774 1.942 1.00 0.00 C ATOM 533 C GLY A 35 15.267 -5.814 1.014 1.00 0.00 C ATOM 534 O GLY A 35 15.230 -5.602 -0.200 1.00 0.00 O ATOM 0 H GLY A 35 16.069 -4.914 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.151 -4.016 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.705 -4.267 1.420 1.00 0.00 H new ATOM 538 N ASN A 36 14.814 -6.943 1.578 1.00 0.00 N ATOM 539 CA ASN A 36 14.125 -7.974 0.824 1.00 0.00 C ATOM 540 C ASN A 36 12.828 -7.372 0.326 1.00 0.00 C ATOM 541 O ASN A 36 12.293 -6.440 0.933 1.00 0.00 O ATOM 542 CB ASN A 36 13.832 -9.231 1.671 1.00 0.00 C ATOM 543 CG ASN A 36 15.011 -10.185 1.765 1.00 0.00 C ATOM 544 OD1 ASN A 36 15.639 -10.504 0.764 1.00 0.00 O ATOM 545 ND2 ASN A 36 15.318 -10.694 2.949 1.00 0.00 N ATOM 0 H ASN A 36 14.920 -7.157 2.570 1.00 0.00 H new ATOM 0 HA ASN A 36 14.761 -8.301 0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.542 -8.923 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.981 -9.759 1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.086 -11.360 3.034 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.787 -10.420 3.775 1.00 0.00 H new ATOM 552 N VAL A 37 12.296 -7.938 -0.747 1.00 0.00 N ATOM 553 CA VAL A 37 11.024 -7.532 -1.286 1.00 0.00 C ATOM 554 C VAL A 37 10.216 -8.776 -1.630 1.00 0.00 C ATOM 555 O VAL A 37 10.736 -9.884 -1.780 1.00 0.00 O ATOM 556 CB VAL A 37 11.175 -6.554 -2.472 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.078 -5.487 -2.400 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.516 -5.815 -2.573 1.00 0.00 C ATOM 0 H VAL A 37 12.743 -8.695 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 37 10.476 -6.966 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 37 11.104 -7.194 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.186 -4.797 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.100 -5.967 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.167 -4.937 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.505 -5.158 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.673 -5.222 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.324 -6.539 -2.676 1.00 0.00 H new ATOM 568 N GLU A 38 8.917 -8.597 -1.791 1.00 0.00 N ATOM 569 CA GLU A 38 7.977 -9.626 -2.168 1.00 0.00 C ATOM 570 C GLU A 38 7.000 -8.946 -3.104 1.00 0.00 C ATOM 571 O GLU A 38 6.483 -7.886 -2.754 1.00 0.00 O ATOM 572 CB GLU A 38 7.316 -10.192 -0.895 1.00 0.00 C ATOM 573 CG GLU A 38 6.075 -11.066 -1.129 1.00 0.00 C ATOM 574 CD GLU A 38 6.396 -12.424 -1.757 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.410 -12.530 -2.480 1.00 0.00 O ATOM 576 OE2 GLU A 38 5.620 -13.374 -1.504 1.00 0.00 O ATOM 0 H GLU A 38 8.474 -7.688 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 38 8.431 -10.480 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.056 -10.780 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.036 -9.359 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.568 -11.225 -0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.380 -10.531 -1.775 1.00 0.00 H new ATOM 583 N VAL A 39 6.780 -9.524 -4.284 1.00 0.00 N ATOM 584 CA VAL A 39 5.672 -9.136 -5.141 1.00 0.00 C ATOM 585 C VAL A 39 4.521 -10.053 -4.748 1.00 0.00 C ATOM 586 O VAL A 39 4.500 -11.228 -5.127 1.00 0.00 O ATOM 587 CB VAL A 39 5.995 -9.272 -6.646 1.00 0.00 C ATOM 588 CG1 VAL A 39 4.818 -8.746 -7.489 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.290 -8.570 -7.084 1.00 0.00 C ATOM 0 H VAL A 39 7.363 -10.269 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 39 5.434 -8.081 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 39 6.152 -10.337 -6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.056 -8.846 -8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.921 -9.323 -7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.643 -7.696 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.439 -8.716 -8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.216 -7.504 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.135 -8.991 -6.539 1.00 0.00 H new ATOM 599 N VAL A 40 3.555 -9.510 -4.020 1.00 0.00 N ATOM 600 CA VAL A 40 2.241 -10.115 -3.947 1.00 0.00 C ATOM 601 C VAL A 40 1.544 -9.717 -5.247 1.00 0.00 C ATOM 602 O VAL A 40 1.706 -8.600 -5.741 1.00 0.00 O ATOM 603 CB VAL A 40 1.524 -9.598 -2.683 1.00 0.00 C ATOM 604 CG1 VAL A 40 -0.008 -9.606 -2.790 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.980 -10.417 -1.469 1.00 0.00 C ATOM 0 H VAL A 40 3.660 -8.654 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 40 2.256 -11.201 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 40 1.806 -8.552 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.439 -9.229 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.318 -8.970 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.355 -10.624 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.475 -10.053 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.732 -11.467 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.058 -10.313 -1.344 1.00 0.00 H new ATOM 615 N GLU A 41 0.757 -10.642 -5.779 1.00 0.00 N ATOM 616 CA GLU A 41 -0.080 -10.513 -6.958 1.00 0.00 C ATOM 617 C GLU A 41 -1.492 -10.622 -6.410 1.00 0.00 C ATOM 618 O GLU A 41 -1.789 -11.595 -5.708 1.00 0.00 O ATOM 619 CB GLU A 41 0.255 -11.676 -7.897 1.00 0.00 C ATOM 620 CG GLU A 41 -0.223 -11.504 -9.335 1.00 0.00 C ATOM 621 CD GLU A 41 0.352 -12.646 -10.179 1.00 0.00 C ATOM 622 OE1 GLU A 41 1.581 -12.648 -10.434 1.00 0.00 O ATOM 623 OE2 GLU A 41 -0.374 -13.621 -10.475 1.00 0.00 O ATOM 0 H GLU A 41 0.684 -11.571 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 41 0.055 -9.589 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.336 -11.817 -7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.183 -12.588 -7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.312 -11.514 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.102 -10.541 -9.729 1.00 0.00 H new ATOM 630 N ASN A 42 -2.337 -9.612 -6.615 1.00 0.00 N ATOM 631 CA ASN A 42 -3.638 -9.592 -5.969 1.00 0.00 C ATOM 632 C ASN A 42 -4.699 -9.109 -6.941 1.00 0.00 C ATOM 633 O ASN A 42 -4.684 -7.989 -7.445 1.00 0.00 O ATOM 634 CB ASN A 42 -3.603 -8.795 -4.666 1.00 0.00 C ATOM 635 CG ASN A 42 -4.728 -9.256 -3.740 1.00 0.00 C ATOM 636 OD1 ASN A 42 -5.860 -9.497 -4.156 1.00 0.00 O ATOM 637 ND2 ASN A 42 -4.428 -9.445 -2.469 1.00 0.00 N ATOM 0 H ASN A 42 -2.143 -8.810 -7.215 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.908 -10.609 -5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.639 -8.928 -4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.709 -7.731 -4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.137 -9.793 -1.824 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.487 -9.243 -2.132 1.00 0.00 H new ATOM 754 N PRO A 52 -11.157 -8.000 3.934 1.00 0.00 N ATOM 755 CA PRO A 52 -10.100 -7.204 3.340 1.00 0.00 C ATOM 756 C PRO A 52 -9.525 -7.888 2.105 1.00 0.00 C ATOM 757 O PRO A 52 -9.336 -7.221 1.089 1.00 0.00 O ATOM 758 CB PRO A 52 -9.061 -7.010 4.434 1.00 0.00 C ATOM 759 CG PRO A 52 -9.248 -8.192 5.367 1.00 0.00 C ATOM 760 CD PRO A 52 -10.749 -8.480 5.248 1.00 0.00 C ATOM 0 HA PRO A 52 -10.467 -6.240 2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.052 -6.989 4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.211 -6.066 4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.646 -9.048 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.962 -7.949 6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.949 -9.546 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.305 -7.973 6.037 1.00 0.00 H new ATOM 768 N LYS A 53 -9.276 -9.204 2.156 1.00 0.00 N ATOM 769 CA LYS A 53 -8.479 -9.955 1.181 1.00 0.00 C ATOM 770 C LYS A 53 -7.033 -9.462 1.247 1.00 0.00 C ATOM 771 O LYS A 53 -6.225 -10.055 1.956 1.00 0.00 O ATOM 772 CB LYS A 53 -9.079 -9.921 -0.247 1.00 0.00 C ATOM 773 CG LYS A 53 -10.561 -10.338 -0.315 1.00 0.00 C ATOM 774 CD LYS A 53 -11.255 -9.844 -1.594 1.00 0.00 C ATOM 775 CE LYS A 53 -11.972 -8.489 -1.432 1.00 0.00 C ATOM 776 NZ LYS A 53 -11.071 -7.355 -1.142 1.00 0.00 N ATOM 0 H LYS A 53 -9.638 -9.794 2.905 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.497 -11.012 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.977 -8.913 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.497 -10.581 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.632 -11.425 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.086 -9.943 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.513 -9.759 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.980 -10.592 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.526 -8.273 -2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.703 -8.572 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.628 -6.480 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.572 -7.528 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.378 -7.257 -1.911 1.00 0.00 H new ATOM 790 N VAL A 54 -6.768 -8.309 0.623 1.00 0.00 N ATOM 791 CA VAL A 54 -5.490 -7.614 0.566 1.00 0.00 C ATOM 792 C VAL A 54 -4.909 -7.525 1.977 1.00 0.00 C ATOM 793 O VAL A 54 -3.907 -8.168 2.275 1.00 0.00 O ATOM 794 CB VAL A 54 -5.641 -6.257 -0.183 1.00 0.00 C ATOM 795 CG1 VAL A 54 -6.985 -5.524 -0.015 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.517 -5.269 0.138 1.00 0.00 C ATOM 0 H VAL A 54 -7.494 -7.808 0.112 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.761 -8.169 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.587 -6.582 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.966 -4.594 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.793 -6.157 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.149 -5.301 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.678 -4.343 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.512 -5.058 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.559 -5.701 -0.151 1.00 0.00 H new ATOM 806 N VAL A 55 -5.559 -6.752 2.849 1.00 0.00 N ATOM 807 CA VAL A 55 -5.077 -6.432 4.188 1.00 0.00 C ATOM 808 C VAL A 55 -4.809 -7.713 4.953 1.00 0.00 C ATOM 809 O VAL A 55 -3.674 -7.849 5.373 1.00 0.00 O ATOM 810 CB VAL A 55 -6.004 -5.422 4.900 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.230 -4.550 5.887 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.719 -4.478 3.911 1.00 0.00 C ATOM 0 H VAL A 55 -6.459 -6.321 2.635 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.121 -5.911 4.128 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.743 -6.029 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.914 -3.851 6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.764 -5.182 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.459 -3.993 5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.358 -3.789 4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.977 -3.913 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.328 -5.065 3.223 1.00 0.00 H new ATOM 822 N GLN A 56 -5.739 -8.680 5.002 1.00 0.00 N ATOM 823 CA GLN A 56 -5.512 -9.938 5.708 1.00 0.00 C ATOM 824 C GLN A 56 -4.141 -10.540 5.343 1.00 0.00 C ATOM 825 O GLN A 56 -3.341 -10.881 6.217 1.00 0.00 O ATOM 826 CB GLN A 56 -6.633 -10.972 5.478 1.00 0.00 C ATOM 827 CG GLN A 56 -7.624 -11.057 6.658 1.00 0.00 C ATOM 828 CD GLN A 56 -8.162 -12.469 6.833 1.00 0.00 C ATOM 829 OE1 GLN A 56 -9.203 -12.818 6.278 1.00 0.00 O ATOM 830 NE2 GLN A 56 -7.445 -13.319 7.554 1.00 0.00 N ATOM 0 H GLN A 56 -6.655 -8.608 4.558 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.521 -9.694 6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.178 -10.713 4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.187 -11.953 5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.128 -10.739 7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.452 -10.369 6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.585 -13.006 8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.753 -14.286 7.658 1.00 0.00 H new ATOM 839 N SER A 57 -3.838 -10.656 4.046 1.00 0.00 N ATOM 840 CA SER A 57 -2.584 -11.236 3.585 1.00 0.00 C ATOM 841 C SER A 57 -1.373 -10.341 3.841 1.00 0.00 C ATOM 842 O SER A 57 -0.327 -10.858 4.234 1.00 0.00 O ATOM 843 CB SER A 57 -2.677 -11.552 2.092 1.00 0.00 C ATOM 844 OG SER A 57 -2.260 -12.890 1.861 1.00 0.00 O ATOM 0 H SER A 57 -4.455 -10.350 3.294 1.00 0.00 H new ATOM 0 HA SER A 57 -2.433 -12.148 4.163 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.701 -11.414 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.052 -10.863 1.524 1.00 0.00 H new ATOM 0 HG SER A 57 -2.322 -13.091 0.904 1.00 0.00 H new ATOM 850 N LEU A 58 -1.482 -9.033 3.609 1.00 0.00 N ATOM 851 CA LEU A 58 -0.361 -8.116 3.790 1.00 0.00 C ATOM 852 C LEU A 58 0.010 -8.035 5.268 1.00 0.00 C ATOM 853 O LEU A 58 1.174 -8.130 5.634 1.00 0.00 O ATOM 854 CB LEU A 58 -0.715 -6.725 3.254 1.00 0.00 C ATOM 855 CG LEU A 58 -0.974 -6.619 1.741 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.261 -5.157 1.397 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.190 -7.103 0.889 1.00 0.00 C ATOM 0 H LEU A 58 -2.342 -8.584 3.293 1.00 0.00 H new ATOM 0 HA LEU A 58 0.495 -8.493 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.604 -6.373 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.096 -6.044 3.510 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.822 -7.266 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.447 -5.065 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.139 -4.819 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.402 -4.544 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.063 -6.999 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.075 -6.507 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.393 -8.151 1.112 1.00 0.00 H new ATOM 869 N VAL A 59 -0.985 -7.925 6.137 1.00 0.00 N ATOM 870 CA VAL A 59 -0.857 -8.027 7.580 1.00 0.00 C ATOM 871 C VAL A 59 -0.283 -9.396 7.963 1.00 0.00 C ATOM 872 O VAL A 59 0.471 -9.491 8.928 1.00 0.00 O ATOM 873 CB VAL A 59 -2.255 -7.750 8.161 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.449 -8.198 9.609 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.553 -6.244 8.073 1.00 0.00 C ATOM 0 H VAL A 59 -1.946 -7.755 5.840 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.155 -7.302 7.993 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.944 -8.343 7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.463 -7.961 9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.287 -9.273 9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.735 -7.679 10.249 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.543 -6.044 8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.806 -5.691 8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.522 -5.927 7.030 1.00 0.00 H new ATOM 885 N SER A 60 -0.568 -10.462 7.210 1.00 0.00 N ATOM 886 CA SER A 60 0.097 -11.749 7.397 1.00 0.00 C ATOM 887 C SER A 60 1.536 -11.795 6.842 1.00 0.00 C ATOM 888 O SER A 60 2.172 -12.846 6.894 1.00 0.00 O ATOM 889 CB SER A 60 -0.751 -12.888 6.824 1.00 0.00 C ATOM 890 OG SER A 60 -2.038 -12.905 7.412 1.00 0.00 O ATOM 0 H SER A 60 -1.260 -10.456 6.461 1.00 0.00 H new ATOM 0 HA SER A 60 0.193 -11.883 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.842 -12.771 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.253 -13.842 7.001 1.00 0.00 H new ATOM 0 HG SER A 60 -2.662 -12.400 6.849 1.00 0.00 H new ATOM 896 N LYS A 61 2.055 -10.691 6.295 1.00 0.00 N ATOM 897 CA LYS A 61 3.457 -10.473 5.942 1.00 0.00 C ATOM 898 C LYS A 61 3.976 -9.273 6.748 1.00 0.00 C ATOM 899 O LYS A 61 4.773 -8.490 6.240 1.00 0.00 O ATOM 900 CB LYS A 61 3.556 -10.232 4.414 1.00 0.00 C ATOM 901 CG LYS A 61 3.593 -11.514 3.571 1.00 0.00 C ATOM 902 CD LYS A 61 2.667 -11.449 2.349 1.00 0.00 C ATOM 903 CE LYS A 61 3.079 -12.497 1.305 1.00 0.00 C ATOM 904 NZ LYS A 61 1.922 -13.143 0.660 1.00 0.00 N ATOM 0 H LYS A 61 1.474 -9.882 6.075 1.00 0.00 H new ATOM 0 HA LYS A 61 4.071 -11.341 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.705 -9.628 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.454 -9.650 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.615 -11.695 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.306 -12.361 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.636 -11.620 2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.706 -10.453 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.696 -12.021 0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.695 -13.258 1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.252 -13.752 -0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.411 -13.719 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.285 -12.414 0.280 1.00 0.00 H new ATOM 918 N GLY A 62 3.565 -9.140 8.013 1.00 0.00 N ATOM 919 CA GLY A 62 4.109 -8.175 8.966 1.00 0.00 C ATOM 920 C GLY A 62 4.112 -6.713 8.508 1.00 0.00 C ATOM 921 O GLY A 62 4.899 -5.915 9.025 1.00 0.00 O ATOM 0 H GLY A 62 2.824 -9.718 8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.537 -8.245 9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.133 -8.464 9.202 1.00 0.00 H new ATOM 925 N VAL A 63 3.290 -6.360 7.515 1.00 0.00 N ATOM 926 CA VAL A 63 3.241 -5.045 6.897 1.00 0.00 C ATOM 927 C VAL A 63 2.696 -4.055 7.938 1.00 0.00 C ATOM 928 O VAL A 63 1.479 -3.933 8.105 1.00 0.00 O ATOM 929 CB VAL A 63 2.378 -5.152 5.616 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.001 -3.813 4.987 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.106 -5.949 4.523 1.00 0.00 C ATOM 0 H VAL A 63 2.618 -7.011 7.109 1.00 0.00 H new ATOM 0 HA VAL A 63 4.220 -4.678 6.590 1.00 0.00 H new ATOM 0 HB VAL A 63 1.469 -5.647 5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.397 -3.987 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.429 -3.223 5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.907 -3.272 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.476 -6.008 3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.042 -5.450 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.317 -6.955 4.886 1.00 0.00 H new ATOM 941 N GLU A 64 3.581 -3.346 8.640 1.00 0.00 N ATOM 942 CA GLU A 64 3.226 -2.395 9.697 1.00 0.00 C ATOM 943 C GLU A 64 3.301 -0.953 9.173 1.00 0.00 C ATOM 944 O GLU A 64 3.546 -0.002 9.919 1.00 0.00 O ATOM 945 CB GLU A 64 4.247 -2.602 10.835 1.00 0.00 C ATOM 946 CG GLU A 64 3.911 -3.800 11.731 1.00 0.00 C ATOM 947 CD GLU A 64 4.027 -3.418 13.206 1.00 0.00 C ATOM 948 OE1 GLU A 64 3.075 -2.813 13.749 1.00 0.00 O ATOM 949 OE2 GLU A 64 5.067 -3.709 13.845 1.00 0.00 O ATOM 0 H GLU A 64 4.587 -3.418 8.487 1.00 0.00 H new ATOM 0 HA GLU A 64 2.206 -2.562 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.238 -2.744 10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.290 -1.700 11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.900 -4.148 11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.586 -4.627 11.510 1.00 0.00 H new ATOM 956 N TYR A 65 2.921 -0.749 7.914 1.00 0.00 N ATOM 957 CA TYR A 65 3.177 0.450 7.138 1.00 0.00 C ATOM 958 C TYR A 65 2.565 0.230 5.764 1.00 0.00 C ATOM 959 O TYR A 65 2.284 -0.898 5.366 1.00 0.00 O ATOM 960 CB TYR A 65 4.684 0.640 6.927 1.00 0.00 C ATOM 961 CG TYR A 65 5.445 1.403 7.976 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.110 2.740 8.242 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.548 0.813 8.604 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.811 3.459 9.220 1.00 0.00 C ATOM 965 CE2 TYR A 65 7.243 1.518 9.607 1.00 0.00 C ATOM 966 CZ TYR A 65 6.853 2.838 9.940 1.00 0.00 C ATOM 967 OH TYR A 65 7.461 3.525 10.945 1.00 0.00 O ATOM 0 H TYR A 65 2.402 -1.452 7.387 1.00 0.00 H new ATOM 0 HA TYR A 65 2.764 1.316 7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.137 -0.347 6.835 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.828 1.147 5.973 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.311 3.215 7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.866 -0.180 8.321 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.553 4.488 9.422 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.071 1.053 10.121 1.00 0.00 H new ATOM 0 HH TYR A 65 8.158 2.966 11.348 1.00 0.00 H new ATOM 977 N LEU A 66 2.412 1.292 4.991 1.00 0.00 N ATOM 978 CA LEU A 66 1.910 1.272 3.626 1.00 0.00 C ATOM 979 C LEU A 66 2.221 2.625 3.006 1.00 0.00 C ATOM 980 O LEU A 66 2.280 3.622 3.719 1.00 0.00 O ATOM 981 CB LEU A 66 0.402 0.970 3.678 1.00 0.00 C ATOM 982 CG LEU A 66 -0.446 1.324 2.437 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.111 0.555 1.152 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.915 1.043 2.754 1.00 0.00 C ATOM 0 H LEU A 66 2.644 2.232 5.311 1.00 0.00 H new ATOM 0 HA LEU A 66 2.378 0.503 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.280 -0.095 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.017 1.501 4.533 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.224 2.372 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.769 0.886 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.926 0.745 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.252 -0.513 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.528 1.288 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.039 -0.012 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.227 1.652 3.602 1.00 0.00 H new ATOM 996 N ILE A 67 2.378 2.678 1.690 1.00 0.00 N ATOM 997 CA ILE A 67 2.517 3.904 0.912 1.00 0.00 C ATOM 998 C ILE A 67 1.406 3.883 -0.128 1.00 0.00 C ATOM 999 O ILE A 67 1.502 3.125 -1.081 1.00 0.00 O ATOM 1000 CB ILE A 67 3.922 3.933 0.267 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.017 4.061 1.356 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.071 5.158 -0.649 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.412 3.596 0.942 1.00 0.00 C ATOM 0 H ILE A 67 2.413 1.838 1.113 1.00 0.00 H new ATOM 0 HA ILE A 67 2.427 4.803 1.522 1.00 0.00 H new ATOM 0 HB ILE A 67 4.035 3.007 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.077 5.104 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.706 3.487 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.066 5.161 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.321 5.115 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.932 6.068 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.102 3.728 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.377 2.543 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.754 4.185 0.091 1.00 0.00 H new ATOM 1015 N ALA A 68 0.324 4.637 0.048 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.810 4.638 -0.863 1.00 0.00 C ATOM 1017 C ALA A 68 -1.483 5.996 -0.865 1.00 0.00 C ATOM 1018 O ALA A 68 -1.868 6.508 0.181 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.838 3.605 -0.422 1.00 0.00 C ATOM 0 H ALA A 68 0.212 5.272 0.839 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.440 4.401 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.682 3.615 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.382 2.615 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.187 3.845 0.582 1.00 0.00 H new ATOM 1025 N SER A 69 -1.711 6.542 -2.053 1.00 0.00 N ATOM 1026 CA SER A 69 -2.290 7.873 -2.178 1.00 0.00 C ATOM 1027 C SER A 69 -3.703 7.981 -1.599 1.00 0.00 C ATOM 1028 O SER A 69 -4.117 9.069 -1.205 1.00 0.00 O ATOM 1029 CB SER A 69 -2.295 8.289 -3.645 1.00 0.00 C ATOM 1030 OG SER A 69 -3.071 7.403 -4.423 1.00 0.00 O ATOM 0 H SER A 69 -1.504 6.085 -2.941 1.00 0.00 H new ATOM 0 HA SER A 69 -1.666 8.546 -1.590 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.690 9.301 -3.738 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.273 8.310 -4.023 1.00 0.00 H new ATOM 0 HG SER A 69 -3.326 7.842 -5.261 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.454 6.875 -1.594 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.856 6.811 -1.216 1.00 0.00 C ATOM 1038 C ASN A 70 -6.224 5.330 -1.096 1.00 0.00 C ATOM 1039 O ASN A 70 -5.376 4.440 -1.247 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.733 7.438 -2.330 1.00 0.00 C ATOM 1041 CG ASN A 70 -8.064 7.969 -1.800 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.182 8.348 -0.645 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -9.124 7.960 -2.585 1.00 0.00 N ATOM 0 H ASN A 70 -4.079 5.966 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.020 7.349 -0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.184 8.252 -2.805 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.925 6.691 -3.100 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.028 8.267 -2.225 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.040 7.646 -3.552 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.509 5.016 -0.935 1.00 0.00 N ATOM 1051 CA VAL A 71 -8.016 3.659 -0.872 1.00 0.00 C ATOM 1052 C VAL A 71 -9.273 3.627 -1.733 1.00 0.00 C ATOM 1053 O VAL A 71 -10.077 4.557 -1.682 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.201 3.303 0.615 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.441 3.898 1.278 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -8.232 1.806 0.881 1.00 0.00 C ATOM 0 H VAL A 71 -8.240 5.722 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.350 2.894 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.314 3.756 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.479 3.588 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.396 4.986 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.334 3.545 0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.365 1.629 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.060 1.356 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.294 1.359 0.553 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.433 2.583 -2.552 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.596 2.478 -3.427 1.00 0.00 C ATOM 1068 C GLY A 72 -11.885 2.379 -2.609 1.00 0.00 C ATOM 1069 O GLY A 72 -12.892 2.975 -2.979 1.00 0.00 O ATOM 0 H GLY A 72 -8.776 1.806 -2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.642 3.347 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.498 1.601 -4.066 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.839 1.650 -1.488 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.912 1.326 -0.541 1.00 0.00 C ATOM 1075 C ARG A 73 -12.367 0.277 0.434 1.00 0.00 C ATOM 1076 O ARG A 73 -11.264 -0.225 0.212 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.173 0.778 -1.255 1.00 0.00 C ATOM 1078 CG ARG A 73 -13.915 -0.475 -2.124 1.00 0.00 C ATOM 1079 CD ARG A 73 -14.127 -0.224 -3.621 1.00 0.00 C ATOM 1080 NE ARG A 73 -15.528 -0.379 -4.037 1.00 0.00 N ATOM 1081 CZ ARG A 73 -16.117 0.216 -5.078 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -15.418 0.975 -5.915 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -17.414 0.047 -5.287 1.00 0.00 N ATOM 0 H ARG A 73 -10.958 1.229 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.215 2.234 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.926 0.537 -0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.590 1.564 -1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.894 -0.819 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.577 -1.277 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.790 0.783 -3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.506 -0.915 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.108 -1.002 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.418 1.110 -5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.882 1.423 -6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.961 -0.536 -4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.866 0.500 -6.081 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.176 -0.110 1.420 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.158 -1.382 2.141 1.00 0.00 C ATOM 1099 C ASN A 74 -11.771 -1.921 2.497 1.00 0.00 C ATOM 1100 O ASN A 74 -11.453 -3.093 2.241 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.070 -2.387 1.402 1.00 0.00 C ATOM 1102 CG ASN A 74 -15.244 -2.767 2.279 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -15.066 -3.240 3.396 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -16.455 -2.629 1.776 1.00 0.00 N ATOM 0 H ASN A 74 -13.916 0.504 1.761 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.567 -1.203 3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.429 -1.948 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.502 -3.278 1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.269 -2.918 2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.578 -2.233 0.844 1.00 0.00 H new ATOM 1111 N ALA A 75 -10.935 -1.075 3.105 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.652 -1.510 3.653 1.00 0.00 C ATOM 1113 C ALA A 75 -9.108 -0.612 4.762 1.00 0.00 C ATOM 1114 O ALA A 75 -8.311 -1.087 5.564 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.623 -1.549 2.525 1.00 0.00 C ATOM 0 H ALA A 75 -11.127 -0.081 3.229 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.825 -2.491 4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.661 -1.872 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.952 -2.248 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.521 -0.554 2.091 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.464 0.674 4.797 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.828 1.643 5.691 1.00 0.00 C ATOM 1123 C PHE A 76 -9.030 1.303 7.155 1.00 0.00 C ATOM 1124 O PHE A 76 -8.133 1.535 7.959 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.397 3.024 5.401 1.00 0.00 C ATOM 1126 CG PHE A 76 -9.173 4.104 6.443 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.959 4.813 6.486 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -10.233 4.491 7.284 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.851 5.985 7.256 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -10.120 5.643 8.078 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.947 6.413 8.033 1.00 0.00 C ATOM 0 H PHE A 76 -10.197 1.071 4.210 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.754 1.619 5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.973 3.372 4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.471 2.921 5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.107 4.456 5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.136 3.900 7.319 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.933 6.554 7.252 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.935 5.937 8.723 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.884 7.334 8.594 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.192 0.763 7.498 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.499 0.398 8.870 1.00 0.00 C ATOM 1143 C GLU A 77 -9.640 -0.805 9.258 1.00 0.00 C ATOM 1144 O GLU A 77 -9.122 -0.860 10.369 1.00 0.00 O ATOM 1145 CB GLU A 77 -12.010 0.160 9.032 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.790 1.323 8.400 1.00 0.00 C ATOM 1147 CD GLU A 77 -14.250 1.378 8.819 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -15.087 0.710 8.179 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -14.575 2.227 9.684 1.00 0.00 O ATOM 0 H GLU A 77 -10.943 0.568 6.836 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.254 1.208 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.292 -0.780 8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.263 0.072 10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.308 2.262 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.735 1.238 7.315 1.00 0.00 H new ATOM 1156 N THR A 78 -9.375 -1.703 8.308 1.00 0.00 N ATOM 1157 CA THR A 78 -8.546 -2.875 8.519 1.00 0.00 C ATOM 1158 C THR A 78 -7.062 -2.490 8.627 1.00 0.00 C ATOM 1159 O THR A 78 -6.277 -3.251 9.183 1.00 0.00 O ATOM 1160 CB THR A 78 -8.824 -3.899 7.399 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.223 -3.960 7.126 1.00 0.00 O ATOM 1162 CG2 THR A 78 -8.361 -5.288 7.834 1.00 0.00 C ATOM 0 H THR A 78 -9.739 -1.629 7.358 1.00 0.00 H new ATOM 0 HA THR A 78 -8.800 -3.343 9.470 1.00 0.00 H new ATOM 0 HB THR A 78 -8.282 -3.585 6.507 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.389 -4.611 6.413 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.561 -6.004 7.037 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.291 -5.266 8.042 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.900 -5.586 8.734 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.669 -1.308 8.130 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.299 -0.814 8.238 1.00 0.00 C ATOM 1172 C LEU A 79 -5.013 -0.474 9.691 1.00 0.00 C ATOM 1173 O LEU A 79 -4.107 -1.018 10.307 1.00 0.00 O ATOM 1174 CB LEU A 79 -5.048 0.385 7.288 1.00 0.00 C ATOM 1175 CG LEU A 79 -5.029 -0.077 5.807 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -5.306 1.022 4.753 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.692 -0.767 5.522 1.00 0.00 C ATOM 0 H LEU A 79 -7.298 -0.670 7.642 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.605 -1.592 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.826 1.135 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.099 0.859 7.537 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.869 -0.763 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.268 0.586 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.294 1.450 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.552 1.805 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.667 -1.096 4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.876 -0.067 5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.580 -1.630 6.179 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.808 0.412 10.269 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.697 0.780 11.667 1.00 0.00 C ATOM 1191 C LYS A 80 -6.012 -0.370 12.614 1.00 0.00 C ATOM 1192 O LYS A 80 -5.398 -0.450 13.672 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.544 2.018 11.918 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.944 2.083 11.282 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.344 3.506 10.859 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.286 4.238 10.006 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.452 5.180 10.810 1.00 0.00 N ATOM 0 H LYS A 80 -6.555 0.899 9.774 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.657 1.021 11.886 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.663 2.127 12.996 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.980 2.883 11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.972 1.429 10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.678 1.701 11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.276 3.456 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.543 4.096 11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.639 3.503 9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.785 4.790 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.653 6.158 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.676 5.067 11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.445 4.972 10.653 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.877 -1.296 12.209 1.00 0.00 N ATOM 1212 CA ALA A 81 -7.075 -2.560 12.912 1.00 0.00 C ATOM 1213 C ALA A 81 -5.827 -3.461 12.918 1.00 0.00 C ATOM 1214 O ALA A 81 -5.886 -4.530 13.521 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.283 -3.314 12.349 1.00 0.00 C ATOM 0 H ALA A 81 -7.463 -1.190 11.381 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.269 -2.299 13.952 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.410 -4.252 12.889 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.179 -2.704 12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.121 -3.523 11.292 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.707 -3.086 12.291 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.398 -3.686 12.542 1.00 0.00 C ATOM 1223 C ALA A 82 -2.319 -2.592 12.621 1.00 0.00 C ATOM 1224 O ALA A 82 -1.170 -2.801 12.230 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.129 -4.669 11.393 1.00 0.00 C ATOM 0 H ALA A 82 -4.687 -2.348 11.587 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.377 -4.214 13.495 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.158 -5.143 11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.907 -5.433 11.378 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.131 -4.130 10.445 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.660 -1.441 13.205 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.805 -0.269 13.366 1.00 0.00 C ATOM 1233 C GLY A 83 -0.962 0.142 12.156 1.00 0.00 C ATOM 1234 O GLY A 83 0.119 0.701 12.327 1.00 0.00 O ATOM 0 H GLY A 83 -3.590 -1.297 13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.435 0.576 13.644 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.131 -0.452 14.203 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.431 -0.096 10.934 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.631 0.019 9.723 1.00 0.00 C ATOM 1240 C VAL A 84 -0.532 1.493 9.346 1.00 0.00 C ATOM 1241 O VAL A 84 -1.542 2.136 9.046 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.267 -0.857 8.620 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.473 -0.869 7.308 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.419 -2.304 9.096 1.00 0.00 C ATOM 0 H VAL A 84 -2.395 -0.379 10.757 1.00 0.00 H new ATOM 0 HA VAL A 84 0.386 -0.345 9.870 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.239 -0.405 8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.980 -1.504 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.403 0.146 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.529 -1.257 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.869 -2.902 8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.439 -2.710 9.345 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.058 -2.331 9.979 1.00 0.00 H new ATOM 1254 N LYS A 85 0.691 2.034 9.345 1.00 0.00 N ATOM 1255 CA LYS A 85 0.915 3.445 9.062 1.00 0.00 C ATOM 1256 C LYS A 85 0.859 3.689 7.561 1.00 0.00 C ATOM 1257 O LYS A 85 1.812 3.421 6.829 1.00 0.00 O ATOM 1258 CB LYS A 85 2.248 3.918 9.657 1.00 0.00 C ATOM 1259 CG LYS A 85 2.009 4.715 10.937 1.00 0.00 C ATOM 1260 CD LYS A 85 3.352 5.107 11.548 1.00 0.00 C ATOM 1261 CE LYS A 85 3.091 5.832 12.868 1.00 0.00 C ATOM 1262 NZ LYS A 85 4.340 6.192 13.558 1.00 0.00 N ATOM 0 H LYS A 85 1.543 1.507 9.539 1.00 0.00 H new ATOM 0 HA LYS A 85 0.124 4.028 9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.883 3.058 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.779 4.534 8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.422 5.607 10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.434 4.120 11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.964 4.221 11.717 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.905 5.751 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.510 6.734 12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.489 5.197 13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.116 6.681 14.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.884 5.330 13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.904 6.820 12.950 1.00 0.00 H new ATOM 1276 N VAL A 86 -0.287 4.162 7.096 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.558 4.447 5.699 1.00 0.00 C ATOM 1278 C VAL A 86 0.017 5.823 5.410 1.00 0.00 C ATOM 1279 O VAL A 86 -0.409 6.795 6.019 1.00 0.00 O ATOM 1280 CB VAL A 86 -2.076 4.381 5.450 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.416 4.536 3.957 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.631 3.058 6.003 1.00 0.00 C ATOM 0 H VAL A 86 -1.081 4.364 7.704 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.098 3.718 5.031 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.546 5.215 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.496 4.484 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.052 5.499 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.941 3.735 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.706 3.012 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.145 2.221 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.437 3.001 7.074 1.00 0.00 H new ATOM 1292 N TYR A 87 0.986 5.915 4.512 1.00 0.00 N ATOM 1293 CA TYR A 87 1.489 7.162 3.965 1.00 0.00 C ATOM 1294 C TYR A 87 0.729 7.504 2.700 1.00 0.00 C ATOM 1295 O TYR A 87 0.259 6.593 2.022 1.00 0.00 O ATOM 1296 CB TYR A 87 2.976 7.022 3.638 1.00 0.00 C ATOM 1297 CG TYR A 87 3.833 7.267 4.865 1.00 0.00 C ATOM 1298 CD1 TYR A 87 3.776 6.427 5.997 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.618 8.424 4.913 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.533 6.737 7.137 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.376 8.750 6.041 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.350 7.888 7.165 1.00 0.00 C ATOM 1303 OH TYR A 87 6.053 8.131 8.300 1.00 0.00 O ATOM 0 H TYR A 87 1.459 5.095 4.132 1.00 0.00 H new ATOM 0 HA TYR A 87 1.353 7.955 4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.173 6.024 3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.247 7.730 2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.151 5.547 5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.639 9.082 4.057 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.490 6.090 8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.975 9.649 6.056 1.00 0.00 H new ATOM 0 HH TYR A 87 6.577 8.952 8.191 1.00 0.00 H new ATOM 1313 N ARG A 88 0.676 8.787 2.344 1.00 0.00 N ATOM 1314 CA ARG A 88 0.269 9.219 1.011 1.00 0.00 C ATOM 1315 C ARG A 88 1.477 9.054 0.099 1.00 0.00 C ATOM 1316 O ARG A 88 2.600 9.119 0.580 1.00 0.00 O ATOM 1317 CB ARG A 88 -0.164 10.695 1.043 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.809 11.165 -0.278 1.00 0.00 C ATOM 1319 CD ARG A 88 -2.281 11.609 -0.233 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.471 13.017 0.145 1.00 0.00 N ATOM 1321 CZ ARG A 88 -2.076 14.082 -0.567 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -1.373 13.953 -1.692 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -2.388 15.293 -0.144 1.00 0.00 N ATOM 0 H ARG A 88 0.914 9.554 2.972 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.574 8.628 0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.872 10.842 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.704 11.318 1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.219 11.997 -0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.725 10.353 -1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.730 11.443 -1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.818 10.978 0.475 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.946 13.200 1.029 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.121 13.025 -2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.087 14.782 -2.212 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.924 15.411 0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.093 16.111 -0.677 1.00 0.00 H new ATOM 1337 N PHE A 89 1.257 8.941 -1.205 1.00 0.00 N ATOM 1338 CA PHE A 89 2.245 9.182 -2.248 1.00 0.00 C ATOM 1339 C PHE A 89 1.534 10.011 -3.343 1.00 0.00 C ATOM 1340 O PHE A 89 0.292 10.064 -3.350 1.00 0.00 O ATOM 1341 CB PHE A 89 2.818 7.817 -2.691 1.00 0.00 C ATOM 1342 CG PHE A 89 2.507 7.450 -4.131 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.165 7.180 -4.465 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.485 7.441 -5.146 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.762 7.022 -5.800 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.080 7.255 -6.473 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.727 7.079 -6.814 1.00 0.00 C ATOM 0 H PHE A 89 0.348 8.668 -1.579 1.00 0.00 H new ATOM 0 HA PHE A 89 3.113 9.762 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.900 7.828 -2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.423 7.040 -2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.431 7.093 -3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.529 7.575 -4.904 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.278 6.859 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.825 7.246 -7.255 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.434 6.988 -7.850 1.00 0.00 H new ATOM 1357 N GLU A 90 2.258 10.666 -4.255 1.00 0.00 N ATOM 1358 CA GLU A 90 1.657 11.553 -5.250 1.00 0.00 C ATOM 1359 C GLU A 90 2.477 11.538 -6.550 1.00 0.00 C ATOM 1360 O GLU A 90 3.072 12.540 -6.956 1.00 0.00 O ATOM 1361 CB GLU A 90 1.478 12.965 -4.652 1.00 0.00 C ATOM 1362 CG GLU A 90 0.302 13.765 -5.238 1.00 0.00 C ATOM 1363 CD GLU A 90 0.329 14.007 -6.752 1.00 0.00 C ATOM 1364 OE1 GLU A 90 0.082 13.046 -7.516 1.00 0.00 O ATOM 1365 OE2 GLU A 90 0.498 15.174 -7.180 1.00 0.00 O ATOM 0 H GLU A 90 3.273 10.596 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 90 0.663 11.195 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.337 12.874 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.397 13.530 -4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.623 13.243 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.264 14.733 -4.738 1.00 0.00 H new ATOM 1372 N GLY A 91 2.446 10.395 -7.229 1.00 0.00 N ATOM 1373 CA GLY A 91 3.086 10.182 -8.518 1.00 0.00 C ATOM 1374 C GLY A 91 4.454 9.550 -8.314 1.00 0.00 C ATOM 1375 O GLY A 91 5.189 9.935 -7.408 1.00 0.00 O ATOM 0 H GLY A 91 1.959 9.568 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.466 9.537 -9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.188 11.131 -9.045 1.00 0.00 H new ATOM 1379 N GLY A 92 4.782 8.544 -9.129 1.00 0.00 N ATOM 1380 CA GLY A 92 6.003 7.777 -8.952 1.00 0.00 C ATOM 1381 C GLY A 92 5.822 6.304 -9.297 1.00 0.00 C ATOM 1382 O GLY A 92 4.723 5.752 -9.187 1.00 0.00 O ATOM 0 H GLY A 92 4.211 8.246 -9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.788 8.200 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.338 7.866 -7.919 1.00 0.00 H new ATOM 1386 N THR A 93 6.913 5.652 -9.681 1.00 0.00 N ATOM 1387 CA THR A 93 6.990 4.203 -9.742 1.00 0.00 C ATOM 1388 C THR A 93 7.236 3.640 -8.337 1.00 0.00 C ATOM 1389 O THR A 93 7.468 4.409 -7.403 1.00 0.00 O ATOM 1390 CB THR A 93 8.053 3.767 -10.766 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.364 4.117 -10.386 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.774 4.337 -12.160 1.00 0.00 C ATOM 0 H THR A 93 7.775 6.121 -9.961 1.00 0.00 H new ATOM 0 HA THR A 93 6.043 3.791 -10.090 1.00 0.00 H new ATOM 0 HB THR A 93 7.984 2.680 -10.796 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.498 5.079 -10.520 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.549 4.004 -12.851 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.802 3.987 -12.508 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.772 5.426 -12.114 1.00 0.00 H new ATOM 1400 N VAL A 94 7.159 2.315 -8.148 1.00 0.00 N ATOM 1401 CA VAL A 94 7.357 1.663 -6.861 1.00 0.00 C ATOM 1402 C VAL A 94 8.562 2.239 -6.112 1.00 0.00 C ATOM 1403 O VAL A 94 8.423 2.499 -4.923 1.00 0.00 O ATOM 1404 CB VAL A 94 7.365 0.133 -7.044 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.787 -0.604 -5.775 1.00 0.00 C ATOM 1406 CG2 VAL A 94 5.968 -0.360 -7.449 1.00 0.00 C ATOM 0 H VAL A 94 6.953 1.661 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 94 6.516 1.880 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 94 8.093 -0.083 -7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.776 -1.679 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.793 -0.294 -5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.094 -0.366 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.987 -1.442 -7.575 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.250 -0.098 -6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.674 0.110 -8.388 1.00 0.00 H new ATOM 1416 N GLN A 95 9.691 2.506 -6.773 1.00 0.00 N ATOM 1417 CA GLN A 95 10.847 3.113 -6.118 1.00 0.00 C ATOM 1418 C GLN A 95 10.610 4.485 -5.482 1.00 0.00 C ATOM 1419 O GLN A 95 11.136 4.736 -4.404 1.00 0.00 O ATOM 1420 CB GLN A 95 12.027 3.191 -7.097 1.00 0.00 C ATOM 1421 CG GLN A 95 13.350 3.350 -6.330 1.00 0.00 C ATOM 1422 CD GLN A 95 14.592 3.243 -7.209 1.00 0.00 C ATOM 1423 OE1 GLN A 95 15.541 4.002 -7.054 1.00 0.00 O ATOM 1424 NE2 GLN A 95 14.642 2.278 -8.112 1.00 0.00 N ATOM 0 H GLN A 95 9.827 2.310 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 95 11.068 2.450 -5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.060 2.290 -7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.889 4.033 -7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.354 4.318 -5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.401 2.588 -5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.846 1.651 -8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.476 2.160 -8.687 1.00 0.00 H new ATOM 1433 N GLU A 96 9.834 5.359 -6.103 1.00 0.00 N ATOM 1434 CA GLU A 96 9.584 6.728 -5.721 1.00 0.00 C ATOM 1435 C GLU A 96 8.809 6.739 -4.435 1.00 0.00 C ATOM 1436 O GLU A 96 9.152 7.531 -3.574 1.00 0.00 O ATOM 1437 CB GLU A 96 8.714 7.416 -6.768 1.00 0.00 C ATOM 1438 CG GLU A 96 9.464 7.962 -7.978 1.00 0.00 C ATOM 1439 CD GLU A 96 10.014 6.917 -8.947 1.00 0.00 C ATOM 1440 OE1 GLU A 96 11.096 6.350 -8.709 1.00 0.00 O ATOM 1441 OE2 GLU A 96 9.446 6.758 -10.053 1.00 0.00 O ATOM 0 H GLU A 96 9.327 5.104 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 96 10.540 7.241 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.963 6.707 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.180 8.238 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.795 8.624 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.294 8.572 -7.622 1.00 0.00 H new ATOM 1448 N ALA A 97 7.805 5.867 -4.279 1.00 0.00 N ATOM 1449 CA ALA A 97 7.135 5.686 -3.009 1.00 0.00 C ATOM 1450 C ALA A 97 8.147 5.549 -1.863 1.00 0.00 C ATOM 1451 O ALA A 97 7.923 6.085 -0.783 1.00 0.00 O ATOM 1452 CB ALA A 97 6.209 4.466 -3.137 1.00 0.00 C ATOM 0 H ALA A 97 7.445 5.277 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 97 6.535 6.561 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.689 4.304 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.480 4.644 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.801 3.584 -3.381 1.00 0.00 H new ATOM 1458 N ILE A 98 9.258 4.853 -2.086 1.00 0.00 N ATOM 1459 CA ILE A 98 10.254 4.513 -1.079 1.00 0.00 C ATOM 1460 C ILE A 98 11.236 5.650 -0.952 1.00 0.00 C ATOM 1461 O ILE A 98 11.407 6.147 0.142 1.00 0.00 O ATOM 1462 CB ILE A 98 11.025 3.244 -1.471 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.192 2.229 -2.233 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.643 2.608 -0.217 1.00 0.00 C ATOM 1465 CD1 ILE A 98 8.930 1.742 -1.534 1.00 0.00 C ATOM 0 H ILE A 98 9.497 4.497 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 98 9.740 4.336 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 98 11.810 3.554 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.908 2.667 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.819 1.365 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.190 1.708 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.326 3.316 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.852 2.348 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.416 1.022 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.197 1.267 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.272 2.589 -1.340 1.00 0.00 H new ATOM 1477 N ASP A 99 11.845 6.088 -2.046 1.00 0.00 N ATOM 1478 CA ASP A 99 12.831 7.160 -2.108 1.00 0.00 C ATOM 1479 C ASP A 99 12.209 8.451 -1.583 1.00 0.00 C ATOM 1480 O ASP A 99 12.901 9.307 -1.036 1.00 0.00 O ATOM 1481 CB ASP A 99 13.342 7.329 -3.556 1.00 0.00 C ATOM 1482 CG ASP A 99 14.691 6.647 -3.818 1.00 0.00 C ATOM 1483 OD1 ASP A 99 14.944 5.530 -3.301 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.529 7.218 -4.550 1.00 0.00 O ATOM 0 H ASP A 99 11.655 5.684 -2.963 1.00 0.00 H new ATOM 0 HA ASP A 99 13.687 6.910 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.600 6.923 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.433 8.392 -3.778 1.00 0.00 H new ATOM 1489 N ALA A 100 10.883 8.573 -1.692 1.00 0.00 N ATOM 1490 CA ALA A 100 10.138 9.649 -1.075 1.00 0.00 C ATOM 1491 C ALA A 100 10.082 9.395 0.439 1.00 0.00 C ATOM 1492 O ALA A 100 10.635 10.178 1.206 1.00 0.00 O ATOM 1493 CB ALA A 100 8.766 9.766 -1.750 1.00 0.00 C ATOM 0 H ALA A 100 10.302 7.919 -2.216 1.00 0.00 H new ATOM 0 HA ALA A 100 10.621 10.616 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.201 10.576 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.899 9.976 -2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.221 8.830 -1.631 1.00 0.00 H new ATOM 1499 N PHE A 101 9.464 8.297 0.889 1.00 0.00 N ATOM 1500 CA PHE A 101 9.289 7.932 2.303 1.00 0.00 C ATOM 1501 C PHE A 101 10.609 7.962 3.089 1.00 0.00 C ATOM 1502 O PHE A 101 10.681 8.534 4.184 1.00 0.00 O ATOM 1503 CB PHE A 101 8.589 6.556 2.361 1.00 0.00 C ATOM 1504 CG PHE A 101 8.924 5.586 3.475 1.00 0.00 C ATOM 1505 CD1 PHE A 101 10.078 4.798 3.346 1.00 0.00 C ATOM 1506 CD2 PHE A 101 8.054 5.363 4.561 1.00 0.00 C ATOM 1507 CE1 PHE A 101 10.432 3.881 4.342 1.00 0.00 C ATOM 1508 CE2 PHE A 101 8.388 4.418 5.549 1.00 0.00 C ATOM 1509 CZ PHE A 101 9.584 3.684 5.446 1.00 0.00 C ATOM 0 H PHE A 101 9.055 7.610 0.255 1.00 0.00 H new ATOM 0 HA PHE A 101 8.662 8.676 2.795 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.515 6.739 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.790 6.049 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.700 4.900 2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.130 5.918 4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.355 3.326 4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.726 4.256 6.387 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.850 2.971 6.213 1.00 0.00 H new ATOM 1519 N SER A 102 11.637 7.330 2.537 1.00 0.00 N ATOM 1520 CA SER A 102 12.976 7.133 3.071 1.00 0.00 C ATOM 1521 C SER A 102 13.871 8.375 2.952 1.00 0.00 C ATOM 1522 O SER A 102 14.853 8.442 3.693 1.00 0.00 O ATOM 1523 CB SER A 102 13.596 5.862 2.484 1.00 0.00 C ATOM 1524 OG SER A 102 13.105 4.663 3.054 1.00 0.00 O ATOM 0 H SER A 102 11.543 6.902 1.616 1.00 0.00 H new ATOM 0 HA SER A 102 12.888 6.985 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.411 5.843 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.677 5.901 2.621 1.00 0.00 H new ATOM 0 HG SER A 102 12.217 4.822 3.436 1.00 0.00 H new ATOM 1530 N GLU A 103 13.502 9.401 2.172 1.00 0.00 N ATOM 1531 CA GLU A 103 14.060 10.748 2.339 1.00 0.00 C ATOM 1532 C GLU A 103 12.959 11.715 2.790 1.00 0.00 C ATOM 1533 O GLU A 103 12.969 12.903 2.467 1.00 0.00 O ATOM 1534 CB GLU A 103 14.747 11.227 1.046 1.00 0.00 C ATOM 1535 CG GLU A 103 15.923 10.344 0.592 1.00 0.00 C ATOM 1536 CD GLU A 103 17.135 11.198 0.208 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.098 11.897 -0.829 1.00 0.00 O ATOM 1538 OE2 GLU A 103 18.109 11.259 1.000 1.00 0.00 O ATOM 0 H GLU A 103 12.819 9.322 1.419 1.00 0.00 H new ATOM 0 HA GLU A 103 14.827 10.720 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.006 11.265 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.108 12.245 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.197 9.657 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.618 9.736 -0.259 1.00 0.00 H new ATOM 1545 N GLY A 104 12.068 11.221 3.649 1.00 0.00 N ATOM 1546 CA GLY A 104 11.060 11.952 4.402 1.00 0.00 C ATOM 1547 C GLY A 104 10.085 12.819 3.610 1.00 0.00 C ATOM 1548 O GLY A 104 9.362 13.613 4.207 1.00 0.00 O ATOM 0 H GLY A 104 12.033 10.221 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.479 11.230 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.573 12.592 5.120 1.00 0.00 H new ATOM 1552 N ARG A 105 10.019 12.682 2.289 1.00 0.00 N ATOM 1553 CA ARG A 105 9.186 13.512 1.432 1.00 0.00 C ATOM 1554 C ARG A 105 7.785 12.915 1.266 1.00 0.00 C ATOM 1555 O ARG A 105 7.193 13.095 0.203 1.00 0.00 O ATOM 1556 CB ARG A 105 9.911 13.591 0.073 1.00 0.00 C ATOM 1557 CG ARG A 105 10.972 14.691 0.005 1.00 0.00 C ATOM 1558 CD ARG A 105 11.598 14.665 -1.393 1.00 0.00 C ATOM 1559 NE ARG A 105 12.116 15.986 -1.777 1.00 0.00 N ATOM 1560 CZ ARG A 105 11.990 16.532 -2.992 1.00 0.00 C ATOM 1561 NH1 ARG A 105 11.562 15.813 -4.028 1.00 0.00 N ATOM 1562 NH2 ARG A 105 12.268 17.818 -3.177 1.00 0.00 N ATOM 0 H ARG A 105 10.553 11.979 1.778 1.00 0.00 H new ATOM 0 HA ARG A 105 9.047 14.501 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.383 12.630 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.174 13.760 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.524 15.665 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.735 14.531 0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.407 13.935 -1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.854 14.340 -2.120 1.00 0.00 H new ATOM 0 HE ARG A 105 12.608 16.526 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.324 14.829 -3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 105 11.472 16.246 -4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 105 12.578 18.391 -2.392 1.00 0.00 H new ATOM 0 HH22 ARG A 105 12.171 18.232 -4.104 1.00 0.00 H new ATOM 1576 N LEU A 106 7.189 12.310 2.299 1.00 0.00 N ATOM 1577 CA LEU A 106 5.813 11.832 2.240 1.00 0.00 C ATOM 1578 C LEU A 106 5.059 12.190 3.518 1.00 0.00 C ATOM 1579 O LEU A 106 5.633 12.533 4.558 1.00 0.00 O ATOM 1580 CB LEU A 106 5.743 10.312 2.005 1.00 0.00 C ATOM 1581 CG LEU A 106 6.155 9.800 0.613 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.821 8.309 0.504 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.429 10.465 -0.569 1.00 0.00 C ATOM 0 H LEU A 106 7.649 12.141 3.194 1.00 0.00 H new ATOM 0 HA LEU A 106 5.340 12.329 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.377 9.825 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.721 9.986 2.197 1.00 0.00 H new ATOM 0 HG LEU A 106 7.218 10.031 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.111 7.942 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.364 7.757 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.750 8.165 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.789 10.036 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.356 10.294 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.627 11.537 -0.561 1.00 0.00 H new ATOM 1595 N GLU A 107 3.741 12.030 3.444 1.00 0.00 N ATOM 1596 CA GLU A 107 2.787 12.417 4.468 1.00 0.00 C ATOM 1597 C GLU A 107 2.271 11.135 5.098 1.00 0.00 C ATOM 1598 O GLU A 107 2.056 10.163 4.377 1.00 0.00 O ATOM 1599 CB GLU A 107 1.603 13.173 3.834 1.00 0.00 C ATOM 1600 CG GLU A 107 1.977 14.197 2.755 1.00 0.00 C ATOM 1601 CD GLU A 107 2.794 15.352 3.326 1.00 0.00 C ATOM 1602 OE1 GLU A 107 2.187 16.208 4.011 1.00 0.00 O ATOM 1603 OE2 GLU A 107 4.019 15.389 3.083 1.00 0.00 O ATOM 0 H GLU A 107 3.293 11.608 2.631 1.00 0.00 H new ATOM 0 HA GLU A 107 3.260 13.067 5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.920 12.444 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.057 13.687 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.547 13.703 1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.069 14.587 2.294 1.00 0.00 H new ATOM 1610 N GLU A 108 2.030 11.114 6.405 1.00 0.00 N ATOM 1611 CA GLU A 108 1.332 10.045 7.075 1.00 0.00 C ATOM 1612 C GLU A 108 -0.149 10.328 6.849 1.00 0.00 C ATOM 1613 O GLU A 108 -0.684 11.335 7.314 1.00 0.00 O ATOM 1614 CB GLU A 108 1.747 10.040 8.550 1.00 0.00 C ATOM 1615 CG GLU A 108 1.074 8.865 9.247 1.00 0.00 C ATOM 1616 CD GLU A 108 1.336 8.791 10.746 1.00 0.00 C ATOM 1617 OE1 GLU A 108 2.478 8.509 11.157 1.00 0.00 O ATOM 1618 OE2 GLU A 108 0.354 9.017 11.500 1.00 0.00 O ATOM 0 H GLU A 108 2.325 11.861 7.034 1.00 0.00 H new ATOM 0 HA GLU A 108 1.565 9.049 6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.831 9.959 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.458 10.977 9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.001 8.927 9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.416 7.939 8.784 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.795 9.488 6.050 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.180 9.601 5.637 1.00 0.00 C ATOM 1627 C LEU A 109 -3.022 8.672 6.501 1.00 0.00 C ATOM 1628 O LEU A 109 -3.694 7.770 6.005 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.291 9.270 4.146 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.626 9.734 3.543 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.678 11.246 3.302 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -3.918 8.958 2.266 1.00 0.00 C ATOM 0 H LEU A 109 -0.338 8.667 5.654 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.551 10.617 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.469 9.743 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.186 8.194 4.006 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.405 9.521 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.645 11.513 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.541 11.770 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.885 11.532 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.866 9.293 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.119 9.131 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.978 7.894 2.493 1.00 0.00 H new