USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 59 SER OG : rot 138:sc= 0.128 USER MOD Set 1.2: A 62 THR OG1 : rot -44:sc= 1.18 USER MOD Set 2.1: A 22 THR OG1 : rot 68:sc= 1.62 USER MOD Set 2.2: A 33 THR OG1 : rot 153:sc= 1.53 USER MOD Set 3.1: A 8 HIS : no HD1:sc= -2.39 K(o=-4.1,f=-4.9!) USER MOD Set 3.2: A 27 TYR OH : rot -70:sc= -1.75 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.0432 (180deg=-0.4) USER MOD Single : A 13 THR OG1 : rot -13:sc= -0.385 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 150:sc= -0.442 (180deg=-1.26) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.135 F(o=-0.7,f=-0.13) USER MOD Single : A 32 MET CE :methyl 168:sc= 0 (180deg=-0.0521) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc=-0.00578 (180deg=-0.282) USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= -0.613 (180deg=-1.68!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc=-0.00556 (180deg=-0.00556) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 150:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 11.041 10.778 -5.850 1.00 0.00 N ATOM 75 CA LYS A 6 10.455 9.445 -5.885 1.00 0.00 C ATOM 76 C LYS A 6 10.528 8.780 -4.512 1.00 0.00 C ATOM 77 O LYS A 6 11.545 8.865 -3.823 1.00 0.00 O ATOM 78 CB LYS A 6 11.169 8.576 -6.921 1.00 0.00 C ATOM 79 CG LYS A 6 10.247 7.609 -7.645 1.00 0.00 C ATOM 80 CD LYS A 6 10.014 8.031 -9.087 1.00 0.00 C ATOM 81 CE LYS A 6 9.713 6.835 -9.976 1.00 0.00 C ATOM 82 NZ LYS A 6 9.642 7.215 -11.414 1.00 0.00 N ATOM 0 HA LYS A 6 9.407 9.546 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.652 9.222 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.958 8.010 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.679 6.608 -7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.292 7.555 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.184 8.736 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.895 8.552 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.484 6.077 -9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.767 6.386 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.435 6.372 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.889 7.919 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.553 7.620 -11.711 1.00 0.00 H new ATOM 96 N LEU A 7 9.441 8.122 -4.124 1.00 0.00 N ATOM 97 CA LEU A 7 9.376 7.441 -2.836 1.00 0.00 C ATOM 98 C LEU A 7 10.154 6.130 -2.871 1.00 0.00 C ATOM 99 O LEU A 7 9.850 5.240 -3.665 1.00 0.00 O ATOM 100 CB LEU A 7 7.917 7.173 -2.455 1.00 0.00 C ATOM 101 CG LEU A 7 7.628 7.162 -0.951 1.00 0.00 C ATOM 102 CD1 LEU A 7 8.257 5.944 -0.295 1.00 0.00 C ATOM 103 CD2 LEU A 7 8.133 8.442 -0.304 1.00 0.00 C ATOM 0 H LEU A 7 8.592 8.046 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 7 9.830 8.089 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.290 7.932 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.620 6.211 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 7 6.549 7.107 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.041 5.954 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.846 5.038 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.336 5.965 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.920 8.418 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.209 8.527 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.633 9.299 -0.755 1.00 0.00 H new ATOM 115 N HIS A 8 11.157 6.018 -2.006 1.00 0.00 N ATOM 116 CA HIS A 8 11.976 4.812 -1.941 1.00 0.00 C ATOM 117 C HIS A 8 11.182 3.652 -1.347 1.00 0.00 C ATOM 118 O HIS A 8 10.198 3.858 -0.638 1.00 0.00 O ATOM 119 CB HIS A 8 13.235 5.065 -1.111 1.00 0.00 C ATOM 120 CG HIS A 8 12.968 5.746 0.195 1.00 0.00 C ATOM 121 ND1 HIS A 8 13.064 7.112 0.366 1.00 0.00 N ATOM 122 CD2 HIS A 8 12.608 5.244 1.400 1.00 0.00 C ATOM 123 CE1 HIS A 8 12.776 7.420 1.617 1.00 0.00 C ATOM 124 NE2 HIS A 8 12.495 6.304 2.266 1.00 0.00 N ATOM 0 H HIS A 8 11.422 6.745 -1.342 1.00 0.00 H new ATOM 0 HA HIS A 8 12.271 4.547 -2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 8 13.731 4.113 -0.920 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.927 5.673 -1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.441 4.203 1.636 1.00 0.00 H new ATOM 0 HE1 HIS A 8 12.771 8.415 2.038 1.00 0.00 H new ATOM 0 HE2 HIS A 8 12.236 6.240 3.251 1.00 0.00 H new ATOM 133 N LYS A 9 11.611 2.431 -1.652 1.00 0.00 N ATOM 134 CA LYS A 9 10.934 1.239 -1.155 1.00 0.00 C ATOM 135 C LYS A 9 11.588 0.718 0.122 1.00 0.00 C ATOM 136 O LYS A 9 12.723 0.238 0.100 1.00 0.00 O ATOM 137 CB LYS A 9 10.939 0.145 -2.223 1.00 0.00 C ATOM 138 CG LYS A 9 9.762 0.224 -3.183 1.00 0.00 C ATOM 139 CD LYS A 9 8.674 -0.775 -2.819 1.00 0.00 C ATOM 140 CE LYS A 9 8.176 -1.529 -4.043 1.00 0.00 C ATOM 141 NZ LYS A 9 9.181 -2.504 -4.545 1.00 0.00 N ATOM 0 H LYS A 9 12.423 2.242 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 9 9.905 1.514 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.866 0.209 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.933 -0.829 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.349 1.233 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.107 0.033 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.060 -1.484 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.841 -0.252 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.254 -2.055 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.935 -0.818 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.724 -3.166 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.942 -1.995 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.581 -3.034 -3.744 1.00 0.00 H new ATOM 155 N GLU A 10 10.862 0.808 1.231 1.00 0.00 N ATOM 156 CA GLU A 10 11.360 0.337 2.518 1.00 0.00 C ATOM 157 C GLU A 10 10.432 -0.737 3.083 1.00 0.00 C ATOM 158 O GLU A 10 9.277 -0.458 3.405 1.00 0.00 O ATOM 159 CB GLU A 10 11.477 1.504 3.503 1.00 0.00 C ATOM 160 CG GLU A 10 12.911 1.819 3.901 1.00 0.00 C ATOM 161 CD GLU A 10 13.173 1.583 5.376 1.00 0.00 C ATOM 162 OE1 GLU A 10 12.838 2.471 6.188 1.00 0.00 O ATOM 163 OE2 GLU A 10 13.713 0.510 5.719 1.00 0.00 O ATOM 0 H GLU A 10 9.923 1.205 1.264 1.00 0.00 H new ATOM 0 HA GLU A 10 12.349 -0.096 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.028 2.392 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.902 1.272 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.591 1.203 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.131 2.859 3.659 1.00 0.00 H new ATOM 170 N PRO A 11 10.912 -1.989 3.195 1.00 0.00 N ATOM 171 CA PRO A 11 10.106 -3.096 3.701 1.00 0.00 C ATOM 172 C PRO A 11 10.141 -3.220 5.222 1.00 0.00 C ATOM 173 O PRO A 11 11.152 -3.610 5.802 1.00 0.00 O ATOM 174 CB PRO A 11 10.765 -4.305 3.050 1.00 0.00 C ATOM 175 CG PRO A 11 12.210 -3.939 2.966 1.00 0.00 C ATOM 176 CD PRO A 11 12.267 -2.436 2.816 1.00 0.00 C ATOM 0 HA PRO A 11 9.048 -2.973 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.617 -5.206 3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.347 -4.502 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.743 -4.260 3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.686 -4.431 2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.027 -1.999 3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.512 -2.146 1.794 1.00 0.00 H new ATOM 184 N ALA A 12 9.019 -2.894 5.856 1.00 0.00 N ATOM 185 CA ALA A 12 8.901 -2.975 7.307 1.00 0.00 C ATOM 186 C ALA A 12 7.440 -2.872 7.732 1.00 0.00 C ATOM 187 O ALA A 12 6.791 -3.877 8.026 1.00 0.00 O ATOM 188 CB ALA A 12 9.729 -1.884 7.969 1.00 0.00 C ATOM 0 H ALA A 12 8.175 -2.570 5.384 1.00 0.00 H new ATOM 0 HA ALA A 12 9.284 -3.943 7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.630 -1.959 9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.776 -2.003 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.375 -0.907 7.639 1.00 0.00 H new ATOM 194 N THR A 13 6.925 -1.646 7.746 1.00 0.00 N ATOM 195 CA THR A 13 5.535 -1.384 8.113 1.00 0.00 C ATOM 196 C THR A 13 5.079 -2.208 9.315 1.00 0.00 C ATOM 197 O THR A 13 3.895 -2.518 9.446 1.00 0.00 O ATOM 198 CB THR A 13 4.617 -1.659 6.922 1.00 0.00 C ATOM 199 OG1 THR A 13 4.546 -3.048 6.654 1.00 0.00 O ATOM 200 CG2 THR A 13 5.062 -0.968 5.651 1.00 0.00 C ATOM 0 H THR A 13 7.456 -0.809 7.505 1.00 0.00 H new ATOM 0 HA THR A 13 5.474 -0.333 8.397 1.00 0.00 H new ATOM 0 HB THR A 13 3.644 -1.262 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.252 -3.513 7.149 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.367 -1.205 4.845 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.079 0.110 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.061 -1.311 5.381 1.00 0.00 H new ATOM 208 N LEU A 14 6.010 -2.554 10.199 1.00 0.00 N ATOM 209 CA LEU A 14 5.663 -3.330 11.384 1.00 0.00 C ATOM 210 C LEU A 14 5.495 -2.414 12.595 1.00 0.00 C ATOM 211 O LEU A 14 6.428 -2.219 13.373 1.00 0.00 O ATOM 212 CB LEU A 14 6.742 -4.379 11.668 1.00 0.00 C ATOM 213 CG LEU A 14 6.356 -5.439 12.704 1.00 0.00 C ATOM 214 CD1 LEU A 14 6.092 -6.776 12.028 1.00 0.00 C ATOM 215 CD2 LEU A 14 7.443 -5.579 13.758 1.00 0.00 C ATOM 0 H LEU A 14 6.998 -2.313 10.119 1.00 0.00 H new ATOM 0 HA LEU A 14 4.717 -3.838 11.196 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.995 -4.880 10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.643 -3.869 12.010 1.00 0.00 H new ATOM 0 HG LEU A 14 5.439 -5.117 13.198 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.819 -7.516 12.780 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.276 -6.667 11.313 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.991 -7.103 11.506 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.150 -6.337 14.485 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.377 -5.876 13.281 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.583 -4.625 14.265 1.00 0.00 H new ATOM 227 N ILE A 15 4.294 -1.864 12.749 1.00 0.00 N ATOM 228 CA ILE A 15 3.993 -0.977 13.867 1.00 0.00 C ATOM 229 C ILE A 15 2.759 -1.457 14.625 1.00 0.00 C ATOM 230 O ILE A 15 2.856 -1.930 15.759 1.00 0.00 O ATOM 231 CB ILE A 15 3.768 0.475 13.398 1.00 0.00 C ATOM 232 CG1 ILE A 15 4.798 0.857 12.331 1.00 0.00 C ATOM 233 CG2 ILE A 15 3.846 1.430 14.580 1.00 0.00 C ATOM 234 CD1 ILE A 15 6.222 0.867 12.841 1.00 0.00 C ATOM 0 H ILE A 15 3.512 -2.018 12.112 1.00 0.00 H new ATOM 0 HA ILE A 15 4.858 -0.999 14.530 1.00 0.00 H new ATOM 0 HB ILE A 15 2.773 0.549 12.959 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.724 0.157 11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.554 1.845 11.939 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.685 2.451 14.234 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.079 1.169 15.310 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.829 1.355 15.044 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.896 1.146 12.031 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.312 1.588 13.653 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.485 -0.126 13.206 1.00 0.00 H new ATOM 246 N LYS A 16 1.602 -1.336 13.984 1.00 0.00 N ATOM 247 CA LYS A 16 0.338 -1.755 14.576 1.00 0.00 C ATOM 248 C LYS A 16 -0.558 -2.389 13.517 1.00 0.00 C ATOM 249 O LYS A 16 -0.230 -2.376 12.330 1.00 0.00 O ATOM 250 CB LYS A 16 -0.371 -0.564 15.225 1.00 0.00 C ATOM 251 CG LYS A 16 -1.004 -0.891 16.568 1.00 0.00 C ATOM 252 CD LYS A 16 -2.147 0.059 16.891 1.00 0.00 C ATOM 253 CE LYS A 16 -1.660 1.282 17.651 1.00 0.00 C ATOM 254 NZ LYS A 16 -2.466 1.531 18.878 1.00 0.00 N ATOM 0 H LYS A 16 1.514 -0.947 13.045 1.00 0.00 H new ATOM 0 HA LYS A 16 0.547 -2.496 15.347 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.346 0.246 15.358 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.143 -0.199 14.548 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.374 -1.916 16.557 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.248 -0.833 17.351 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.632 0.373 15.967 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.898 -0.463 17.483 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.614 1.146 17.925 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.708 2.156 17.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.102 2.373 19.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.460 1.686 18.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.400 0.708 19.510 1.00 0.00 H new ATOM 268 N ALA A 17 -1.686 -2.946 13.946 1.00 0.00 N ATOM 269 CA ALA A 17 -2.614 -3.584 13.019 1.00 0.00 C ATOM 270 C ALA A 17 -4.001 -2.957 13.095 1.00 0.00 C ATOM 271 O ALA A 17 -4.493 -2.634 14.176 1.00 0.00 O ATOM 272 CB ALA A 17 -2.691 -5.077 13.298 1.00 0.00 C ATOM 0 H ALA A 17 -1.978 -2.969 14.923 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.236 -3.429 12.008 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.387 -5.542 12.600 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.703 -5.521 13.176 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.038 -5.239 14.318 1.00 0.00 H new ATOM 278 N ILE A 18 -4.630 -2.793 11.934 1.00 0.00 N ATOM 279 CA ILE A 18 -5.963 -2.210 11.858 1.00 0.00 C ATOM 280 C ILE A 18 -6.507 -2.285 10.431 1.00 0.00 C ATOM 281 O ILE A 18 -5.755 -2.520 9.485 1.00 0.00 O ATOM 282 CB ILE A 18 -5.959 -0.741 12.340 1.00 0.00 C ATOM 283 CG1 ILE A 18 -7.390 -0.226 12.504 1.00 0.00 C ATOM 284 CG2 ILE A 18 -5.177 0.143 11.376 1.00 0.00 C ATOM 285 CD1 ILE A 18 -7.526 0.853 13.554 1.00 0.00 C ATOM 0 H ILE A 18 -4.235 -3.057 11.031 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.612 -2.789 12.516 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.466 -0.702 13.311 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.740 0.163 11.548 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.040 -1.061 12.766 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.188 1.172 11.736 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.147 -0.209 11.314 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.636 0.099 10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.567 1.171 13.616 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.207 0.462 14.520 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.902 1.705 13.283 1.00 0.00 H new ATOM 297 N ASP A 19 -7.814 -2.092 10.281 1.00 0.00 N ATOM 298 CA ASP A 19 -8.449 -2.147 8.968 1.00 0.00 C ATOM 299 C ASP A 19 -7.992 -0.983 8.094 1.00 0.00 C ATOM 300 O ASP A 19 -7.306 -0.076 8.562 1.00 0.00 O ATOM 301 CB ASP A 19 -9.972 -2.123 9.117 1.00 0.00 C ATOM 302 CG ASP A 19 -10.650 -3.200 8.296 1.00 0.00 C ATOM 303 OD1 ASP A 19 -10.165 -3.493 7.183 1.00 0.00 O ATOM 304 OD2 ASP A 19 -11.667 -3.755 8.766 1.00 0.00 O ATOM 0 H ASP A 19 -8.453 -1.896 11.051 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.152 -3.078 8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.234 -2.252 10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.349 -1.147 8.812 1.00 0.00 H new ATOM 309 N GLY A 20 -8.376 -1.021 6.822 1.00 0.00 N ATOM 310 CA GLY A 20 -7.997 0.034 5.900 1.00 0.00 C ATOM 311 C GLY A 20 -8.525 1.392 6.319 1.00 0.00 C ATOM 312 O GLY A 20 -9.565 1.839 5.835 1.00 0.00 O ATOM 0 H GLY A 20 -8.943 -1.764 6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.910 0.077 5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.372 -0.206 4.905 1.00 0.00 H new ATOM 316 N ASP A 21 -7.807 2.050 7.222 1.00 0.00 N ATOM 317 CA ASP A 21 -8.202 3.365 7.711 1.00 0.00 C ATOM 318 C ASP A 21 -6.973 4.204 8.035 1.00 0.00 C ATOM 319 O ASP A 21 -6.856 5.352 7.606 1.00 0.00 O ATOM 320 CB ASP A 21 -9.085 3.227 8.953 1.00 0.00 C ATOM 321 CG ASP A 21 -10.170 4.283 9.012 1.00 0.00 C ATOM 322 OD1 ASP A 21 -11.206 4.109 8.336 1.00 0.00 O ATOM 323 OD2 ASP A 21 -9.988 5.284 9.735 1.00 0.00 O ATOM 0 H ASP A 21 -6.944 1.692 7.632 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.771 3.867 6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.544 2.238 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.464 3.298 9.846 1.00 0.00 H new ATOM 328 N THR A 22 -6.056 3.617 8.796 1.00 0.00 N ATOM 329 CA THR A 22 -4.828 4.298 9.184 1.00 0.00 C ATOM 330 C THR A 22 -3.879 3.331 9.885 1.00 0.00 C ATOM 331 O THR A 22 -4.105 2.945 11.031 1.00 0.00 O ATOM 332 CB THR A 22 -5.141 5.479 10.102 1.00 0.00 C ATOM 333 OG1 THR A 22 -3.965 5.947 10.738 1.00 0.00 O ATOM 334 CG2 THR A 22 -6.146 5.147 11.184 1.00 0.00 C ATOM 0 H THR A 22 -6.141 2.667 9.157 1.00 0.00 H new ATOM 0 HA THR A 22 -4.344 4.672 8.282 1.00 0.00 H new ATOM 0 HB THR A 22 -5.569 6.242 9.452 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.371 6.350 10.071 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.323 6.029 11.800 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.083 4.831 10.726 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.757 4.342 11.807 1.00 0.00 H new ATOM 342 N VAL A 23 -2.820 2.940 9.186 1.00 0.00 N ATOM 343 CA VAL A 23 -1.840 2.015 9.740 1.00 0.00 C ATOM 344 C VAL A 23 -0.443 2.625 9.732 1.00 0.00 C ATOM 345 O VAL A 23 0.033 3.095 8.702 1.00 0.00 O ATOM 346 CB VAL A 23 -1.815 0.691 8.953 1.00 0.00 C ATOM 347 CG1 VAL A 23 -3.159 -0.013 9.049 1.00 0.00 C ATOM 348 CG2 VAL A 23 -1.431 0.937 7.500 1.00 0.00 C ATOM 0 H VAL A 23 -2.618 3.249 8.235 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.138 1.814 10.769 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.060 0.041 9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.122 -0.946 8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.384 -0.227 10.094 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.936 0.629 8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.419 -0.011 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.158 1.607 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.441 1.391 7.457 1.00 0.00 H new ATOM 358 N LYS A 24 0.208 2.607 10.891 1.00 0.00 N ATOM 359 CA LYS A 24 1.550 3.157 11.026 1.00 0.00 C ATOM 360 C LYS A 24 2.593 2.181 10.493 1.00 0.00 C ATOM 361 O LYS A 24 2.553 0.987 10.790 1.00 0.00 O ATOM 362 CB LYS A 24 1.841 3.477 12.492 1.00 0.00 C ATOM 363 CG LYS A 24 2.962 4.486 12.688 1.00 0.00 C ATOM 364 CD LYS A 24 2.433 5.818 13.194 1.00 0.00 C ATOM 365 CE LYS A 24 1.854 5.690 14.595 1.00 0.00 C ATOM 366 NZ LYS A 24 2.734 4.892 15.491 1.00 0.00 N ATOM 0 H LYS A 24 -0.175 2.216 11.752 1.00 0.00 H new ATOM 0 HA LYS A 24 1.603 4.074 10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.933 3.861 12.958 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.100 2.554 13.011 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.689 4.090 13.397 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.486 4.637 11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.238 6.553 13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.666 6.188 12.514 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.709 6.683 15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.872 5.221 14.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.622 5.222 16.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.471 3.888 15.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.725 5.008 15.198 1.00 0.00 H new ATOM 380 N LEU A 25 3.526 2.702 9.702 1.00 0.00 N ATOM 381 CA LEU A 25 4.584 1.885 9.123 1.00 0.00 C ATOM 382 C LEU A 25 5.955 2.474 9.444 1.00 0.00 C ATOM 383 O LEU A 25 6.104 3.690 9.566 1.00 0.00 O ATOM 384 CB LEU A 25 4.398 1.772 7.606 1.00 0.00 C ATOM 385 CG LEU A 25 4.646 3.061 6.819 1.00 0.00 C ATOM 386 CD1 LEU A 25 5.543 2.789 5.620 1.00 0.00 C ATOM 387 CD2 LEU A 25 3.327 3.675 6.371 1.00 0.00 C ATOM 0 H LEU A 25 3.570 3.689 9.448 1.00 0.00 H new ATOM 0 HA LEU A 25 4.526 0.888 9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.071 1.001 7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.382 1.433 7.405 1.00 0.00 H new ATOM 0 HG LEU A 25 5.151 3.772 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.709 3.716 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.499 2.394 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.064 2.061 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.523 4.591 5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.795 2.969 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.718 3.906 7.245 1.00 0.00 H new ATOM 399 N MET A 26 6.950 1.605 9.586 1.00 0.00 N ATOM 400 CA MET A 26 8.306 2.044 9.900 1.00 0.00 C ATOM 401 C MET A 26 8.960 2.709 8.693 1.00 0.00 C ATOM 402 O MET A 26 9.423 2.035 7.773 1.00 0.00 O ATOM 403 CB MET A 26 9.153 0.857 10.367 1.00 0.00 C ATOM 404 CG MET A 26 9.417 0.852 11.866 1.00 0.00 C ATOM 405 SD MET A 26 11.173 0.937 12.266 1.00 0.00 S ATOM 406 CE MET A 26 11.645 -0.780 12.090 1.00 0.00 C ATOM 0 H MET A 26 6.844 0.595 9.489 1.00 0.00 H new ATOM 0 HA MET A 26 8.245 2.778 10.704 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.649 -0.069 10.092 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.106 0.871 9.838 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.903 1.697 12.324 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.993 -0.053 12.302 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.708 -0.889 12.306 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.069 -1.389 12.787 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.446 -1.109 11.070 1.00 0.00 H new ATOM 416 N TYR A 27 8.998 4.039 8.707 1.00 0.00 N ATOM 417 CA TYR A 27 9.597 4.801 7.618 1.00 0.00 C ATOM 418 C TYR A 27 10.757 5.650 8.127 1.00 0.00 C ATOM 419 O TYR A 27 10.582 6.497 9.001 1.00 0.00 O ATOM 420 CB TYR A 27 8.545 5.695 6.958 1.00 0.00 C ATOM 421 CG TYR A 27 8.947 6.193 5.589 1.00 0.00 C ATOM 422 CD1 TYR A 27 10.049 7.022 5.427 1.00 0.00 C ATOM 423 CD2 TYR A 27 8.226 5.834 4.458 1.00 0.00 C ATOM 424 CE1 TYR A 27 10.420 7.479 4.178 1.00 0.00 C ATOM 425 CE2 TYR A 27 8.593 6.286 3.204 1.00 0.00 C ATOM 426 CZ TYR A 27 9.690 7.109 3.070 1.00 0.00 C ATOM 427 OH TYR A 27 10.056 7.562 1.824 1.00 0.00 O ATOM 0 H TYR A 27 8.620 4.611 9.462 1.00 0.00 H new ATOM 0 HA TYR A 27 9.981 4.098 6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.610 5.141 6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.351 6.551 7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.626 7.314 6.292 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.364 5.191 4.560 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.279 8.124 4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.023 5.996 2.334 1.00 0.00 H new ATOM 0 HH TYR A 27 9.875 8.523 1.759 1.00 0.00 H new ATOM 437 N LYS A 28 11.944 5.411 7.575 1.00 0.00 N ATOM 438 CA LYS A 28 13.144 6.146 7.969 1.00 0.00 C ATOM 439 C LYS A 28 13.302 6.179 9.488 1.00 0.00 C ATOM 440 O LYS A 28 13.889 7.106 10.044 1.00 0.00 O ATOM 441 CB LYS A 28 13.116 7.573 7.401 1.00 0.00 C ATOM 442 CG LYS A 28 12.179 8.527 8.133 1.00 0.00 C ATOM 443 CD LYS A 28 12.484 9.975 7.787 1.00 0.00 C ATOM 444 CE LYS A 28 11.273 10.869 8.005 1.00 0.00 C ATOM 445 NZ LYS A 28 11.465 12.220 7.408 1.00 0.00 N ATOM 0 H LYS A 28 12.101 4.711 6.850 1.00 0.00 H new ATOM 0 HA LYS A 28 14.005 5.622 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.126 7.982 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.821 7.527 6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.146 8.298 7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.275 8.380 9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.313 10.329 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.804 10.042 6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.392 10.400 7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.083 10.968 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.618 12.798 7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.290 12.678 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.621 12.128 6.384 1.00 0.00 H new ATOM 459 N GLY A 29 12.775 5.155 10.154 1.00 0.00 N ATOM 460 CA GLY A 29 12.869 5.083 11.600 1.00 0.00 C ATOM 461 C GLY A 29 11.893 6.010 12.300 1.00 0.00 C ATOM 462 O GLY A 29 11.978 6.206 13.512 1.00 0.00 O ATOM 0 H GLY A 29 12.285 4.374 9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.683 4.058 11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.885 5.334 11.906 1.00 0.00 H new ATOM 466 N GLN A 30 10.962 6.584 11.540 1.00 0.00 N ATOM 467 CA GLN A 30 9.973 7.493 12.106 1.00 0.00 C ATOM 468 C GLN A 30 8.553 6.991 11.836 1.00 0.00 C ATOM 469 O GLN A 30 8.274 6.450 10.766 1.00 0.00 O ATOM 470 CB GLN A 30 10.151 8.897 11.524 1.00 0.00 C ATOM 471 CG GLN A 30 10.927 9.836 12.432 1.00 0.00 C ATOM 472 CD GLN A 30 10.022 10.706 13.283 1.00 0.00 C ATOM 473 OE1 GLN A 30 9.828 10.312 14.537 1.00 0.00 O flip ATOM 474 NE2 GLN A 30 9.503 11.721 12.819 1.00 0.00 N flip ATOM 0 H GLN A 30 10.874 6.435 10.535 1.00 0.00 H new ATOM 0 HA GLN A 30 10.125 7.532 13.185 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.666 8.822 10.566 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.169 9.326 11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.578 9.251 13.082 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.571 10.473 11.825 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.679 11.987 11.850 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.897 12.297 13.403 1.00 0.00 H new ATOM 483 N PRO A 31 7.635 7.162 12.805 1.00 0.00 N ATOM 484 CA PRO A 31 6.243 6.718 12.660 1.00 0.00 C ATOM 485 C PRO A 31 5.543 7.386 11.480 1.00 0.00 C ATOM 486 O PRO A 31 5.540 8.611 11.358 1.00 0.00 O ATOM 487 CB PRO A 31 5.583 7.143 13.977 1.00 0.00 C ATOM 488 CG PRO A 31 6.709 7.329 14.935 1.00 0.00 C ATOM 489 CD PRO A 31 7.878 7.791 14.115 1.00 0.00 C ATOM 0 HA PRO A 31 6.181 5.647 12.466 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.015 8.065 13.853 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.886 6.384 14.331 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.454 8.063 15.699 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.939 6.398 15.452 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.914 8.878 14.040 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.826 7.470 14.547 1.00 0.00 H new ATOM 497 N MET A 32 4.949 6.571 10.614 1.00 0.00 N ATOM 498 CA MET A 32 4.245 7.080 9.444 1.00 0.00 C ATOM 499 C MET A 32 3.029 6.215 9.125 1.00 0.00 C ATOM 500 O MET A 32 3.167 5.065 8.709 1.00 0.00 O ATOM 501 CB MET A 32 5.186 7.122 8.240 1.00 0.00 C ATOM 502 CG MET A 32 6.313 8.132 8.383 1.00 0.00 C ATOM 503 SD MET A 32 5.711 9.817 8.612 1.00 0.00 S ATOM 504 CE MET A 32 7.237 10.672 8.996 1.00 0.00 C ATOM 0 H MET A 32 4.942 5.555 10.701 1.00 0.00 H new ATOM 0 HA MET A 32 3.902 8.091 9.664 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.614 6.131 8.090 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.609 7.359 7.346 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.938 7.855 9.232 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.945 8.094 7.496 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.071 11.749 8.955 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.568 10.394 9.997 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.002 10.395 8.271 1.00 0.00 H new ATOM 514 N THR A 33 1.837 6.769 9.330 1.00 0.00 N ATOM 515 CA THR A 33 0.604 6.038 9.071 1.00 0.00 C ATOM 516 C THR A 33 -0.031 6.448 7.745 1.00 0.00 C ATOM 517 O THR A 33 -0.900 7.321 7.703 1.00 0.00 O ATOM 518 CB THR A 33 -0.390 6.253 10.212 1.00 0.00 C ATOM 519 OG1 THR A 33 -1.674 5.780 9.854 1.00 0.00 O ATOM 520 CG2 THR A 33 -0.531 7.705 10.617 1.00 0.00 C ATOM 0 H THR A 33 1.701 7.720 9.674 1.00 0.00 H new ATOM 0 HA THR A 33 0.859 4.980 9.007 1.00 0.00 H new ATOM 0 HB THR A 33 0.014 5.695 11.056 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.164 5.520 10.662 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.251 7.787 11.431 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.435 8.086 10.947 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.879 8.288 9.764 1.00 0.00 H new ATOM 528 N PHE A 34 0.395 5.797 6.668 1.00 0.00 N ATOM 529 CA PHE A 34 -0.139 6.068 5.338 1.00 0.00 C ATOM 530 C PHE A 34 -0.910 4.841 4.839 1.00 0.00 C ATOM 531 O PHE A 34 -0.319 3.816 4.503 1.00 0.00 O ATOM 532 CB PHE A 34 0.989 6.425 4.363 1.00 0.00 C ATOM 533 CG PHE A 34 1.789 7.646 4.734 1.00 0.00 C ATOM 534 CD1 PHE A 34 2.311 7.806 6.011 1.00 0.00 C ATOM 535 CD2 PHE A 34 2.030 8.633 3.791 1.00 0.00 C ATOM 536 CE1 PHE A 34 3.052 8.928 6.336 1.00 0.00 C ATOM 537 CE2 PHE A 34 2.773 9.754 4.110 1.00 0.00 C ATOM 538 CZ PHE A 34 3.284 9.902 5.384 1.00 0.00 C ATOM 0 H PHE A 34 1.113 5.073 6.691 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.816 6.920 5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.666 5.574 4.288 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.558 6.578 3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.137 7.046 6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.632 8.525 2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.449 9.043 7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.954 10.513 3.363 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.864 10.778 5.636 1.00 0.00 H new ATOM 548 N ARG A 35 -2.231 4.954 4.806 1.00 0.00 N ATOM 549 CA ARG A 35 -3.094 3.867 4.356 1.00 0.00 C ATOM 550 C ARG A 35 -4.302 4.402 3.589 1.00 0.00 C ATOM 551 O ARG A 35 -5.317 4.739 4.199 1.00 0.00 O ATOM 552 CB ARG A 35 -3.570 3.043 5.554 1.00 0.00 C ATOM 553 CG ARG A 35 -4.441 1.856 5.172 1.00 0.00 C ATOM 554 CD ARG A 35 -3.694 0.881 4.276 1.00 0.00 C ATOM 555 NE ARG A 35 -4.532 -0.251 3.881 1.00 0.00 N ATOM 556 CZ ARG A 35 -4.736 -1.325 4.640 1.00 0.00 C ATOM 557 NH1 ARG A 35 -4.166 -1.421 5.834 1.00 0.00 N ATOM 558 NH2 ARG A 35 -5.512 -2.307 4.202 1.00 0.00 N ATOM 0 H ARG A 35 -2.733 5.796 5.088 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.513 3.234 3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.701 2.682 6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.129 3.690 6.230 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.773 1.342 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.336 2.210 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.345 1.402 3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.810 0.513 4.797 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.987 -0.215 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.567 -0.669 6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.326 -2.247 6.411 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.952 -2.239 3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.669 -3.131 4.783 1.00 0.00 H new ATOM 572 N LEU A 36 -4.220 4.456 2.269 1.00 0.00 N ATOM 573 CA LEU A 36 -5.347 4.926 1.476 1.00 0.00 C ATOM 574 C LEU A 36 -5.440 4.184 0.148 1.00 0.00 C ATOM 575 O LEU A 36 -4.890 4.631 -0.856 1.00 0.00 O ATOM 576 CB LEU A 36 -5.257 6.433 1.255 1.00 0.00 C ATOM 577 CG LEU A 36 -6.336 7.248 1.974 1.00 0.00 C ATOM 578 CD1 LEU A 36 -5.727 8.453 2.677 1.00 0.00 C ATOM 579 CD2 LEU A 36 -7.420 7.686 0.996 1.00 0.00 C ATOM 0 H LEU A 36 -3.398 4.185 1.729 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.260 4.716 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.278 6.778 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.320 6.635 0.186 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.794 6.611 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.513 9.016 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.996 8.115 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.236 9.092 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.177 8.264 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.977 8.301 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.883 6.807 0.548 1.00 0.00 H new ATOM 591 N LEU A 37 -6.144 3.060 0.136 1.00 0.00 N ATOM 592 CA LEU A 37 -6.298 2.284 -1.089 1.00 0.00 C ATOM 593 C LEU A 37 -7.730 2.365 -1.603 1.00 0.00 C ATOM 594 O LEU A 37 -8.683 2.095 -0.871 1.00 0.00 O ATOM 595 CB LEU A 37 -5.890 0.828 -0.854 1.00 0.00 C ATOM 596 CG LEU A 37 -6.839 0.020 0.033 1.00 0.00 C ATOM 597 CD1 LEU A 37 -7.847 -0.739 -0.816 1.00 0.00 C ATOM 598 CD2 LEU A 37 -6.056 -0.942 0.912 1.00 0.00 C ATOM 0 H LEU A 37 -6.614 2.667 0.952 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.641 2.708 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.809 0.330 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.897 0.814 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.382 0.713 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.514 -1.308 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.431 -0.033 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.320 -1.421 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.747 -1.509 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.488 -1.628 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.371 -0.380 1.547 1.00 0.00 H new ATOM 610 N LEU A 38 -7.875 2.755 -2.867 1.00 0.00 N ATOM 611 CA LEU A 38 -9.188 2.893 -3.494 1.00 0.00 C ATOM 612 C LEU A 38 -10.095 1.710 -3.167 1.00 0.00 C ATOM 613 O LEU A 38 -9.758 0.558 -3.440 1.00 0.00 O ATOM 614 CB LEU A 38 -9.037 3.030 -5.011 1.00 0.00 C ATOM 615 CG LEU A 38 -8.993 4.467 -5.530 1.00 0.00 C ATOM 616 CD1 LEU A 38 -10.322 5.166 -5.284 1.00 0.00 C ATOM 617 CD2 LEU A 38 -7.856 5.235 -4.873 1.00 0.00 C ATOM 0 H LEU A 38 -7.093 2.983 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.653 3.793 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.123 2.521 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.867 2.512 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.815 4.439 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.271 6.188 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.117 4.628 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.531 5.183 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.839 6.256 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.005 5.253 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.908 4.747 -5.100 1.00 0.00 H new ATOM 929 N ALA A 58 -10.354 -8.503 0.758 1.00 0.00 N ATOM 930 CA ALA A 58 -9.624 -7.270 0.492 1.00 0.00 C ATOM 931 C ALA A 58 -8.609 -6.984 1.594 1.00 0.00 C ATOM 932 O ALA A 58 -7.439 -6.718 1.321 1.00 0.00 O ATOM 933 CB ALA A 58 -10.592 -6.106 0.349 1.00 0.00 C ATOM 0 HA ALA A 58 -9.079 -7.393 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.034 -5.191 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.276 -6.301 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.161 -5.991 1.271 1.00 0.00 H new ATOM 939 N SER A 59 -9.066 -7.042 2.842 1.00 0.00 N ATOM 940 CA SER A 59 -8.198 -6.793 3.986 1.00 0.00 C ATOM 941 C SER A 59 -7.316 -8.002 4.290 1.00 0.00 C ATOM 942 O SER A 59 -6.329 -7.892 5.017 1.00 0.00 O ATOM 943 CB SER A 59 -9.035 -6.436 5.216 1.00 0.00 C ATOM 944 OG SER A 59 -8.240 -5.818 6.212 1.00 0.00 O ATOM 0 H SER A 59 -10.032 -7.259 3.085 1.00 0.00 H new ATOM 0 HA SER A 59 -7.548 -5.955 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.846 -5.767 4.926 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.495 -7.337 5.621 1.00 0.00 H new ATOM 0 HG SER A 59 -8.730 -5.064 6.601 1.00 0.00 H new ATOM 950 N ALA A 60 -7.678 -9.157 3.733 1.00 0.00 N ATOM 951 CA ALA A 60 -6.917 -10.384 3.948 1.00 0.00 C ATOM 952 C ALA A 60 -5.430 -10.176 3.671 1.00 0.00 C ATOM 953 O ALA A 60 -4.579 -10.835 4.268 1.00 0.00 O ATOM 954 CB ALA A 60 -7.467 -11.502 3.074 1.00 0.00 C ATOM 0 H ALA A 60 -8.493 -9.267 3.130 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.023 -10.665 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.892 -12.412 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.512 -11.681 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.392 -11.214 2.025 1.00 0.00 H new ATOM 960 N PHE A 61 -5.124 -9.253 2.764 1.00 0.00 N ATOM 961 CA PHE A 61 -3.739 -8.957 2.410 1.00 0.00 C ATOM 962 C PHE A 61 -2.940 -8.541 3.642 1.00 0.00 C ATOM 963 O PHE A 61 -1.753 -8.847 3.759 1.00 0.00 O ATOM 964 CB PHE A 61 -3.689 -7.847 1.358 1.00 0.00 C ATOM 965 CG PHE A 61 -3.610 -8.357 -0.052 1.00 0.00 C ATOM 966 CD1 PHE A 61 -2.493 -9.051 -0.489 1.00 0.00 C ATOM 967 CD2 PHE A 61 -4.651 -8.143 -0.940 1.00 0.00 C ATOM 968 CE1 PHE A 61 -2.416 -9.521 -1.786 1.00 0.00 C ATOM 969 CE2 PHE A 61 -4.580 -8.612 -2.239 1.00 0.00 C ATOM 970 CZ PHE A 61 -3.462 -9.301 -2.662 1.00 0.00 C ATOM 0 H PHE A 61 -5.816 -8.697 2.261 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.292 -9.862 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.576 -7.221 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.826 -7.211 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.673 -9.226 0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.528 -7.604 -0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.540 -10.060 -2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.399 -8.439 -2.922 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.404 -9.668 -3.676 1.00 0.00 H new ATOM 980 N THR A 62 -3.603 -7.842 4.556 1.00 0.00 N ATOM 981 CA THR A 62 -2.964 -7.378 5.783 1.00 0.00 C ATOM 982 C THR A 62 -3.122 -8.399 6.909 1.00 0.00 C ATOM 983 O THR A 62 -2.442 -8.319 7.932 1.00 0.00 O ATOM 984 CB THR A 62 -3.565 -6.039 6.212 1.00 0.00 C ATOM 985 OG1 THR A 62 -4.891 -6.211 6.681 1.00 0.00 O ATOM 986 CG2 THR A 62 -3.602 -5.016 5.097 1.00 0.00 C ATOM 0 H THR A 62 -4.586 -7.583 4.471 1.00 0.00 H new ATOM 0 HA THR A 62 -1.900 -7.252 5.582 1.00 0.00 H new ATOM 0 HB THR A 62 -2.912 -5.669 7.002 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.378 -6.808 6.075 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.040 -4.089 5.468 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.588 -4.824 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.205 -5.398 4.273 1.00 0.00 H new ATOM 994 N LYS A 63 -4.035 -9.346 6.728 1.00 0.00 N ATOM 995 CA LYS A 63 -4.287 -10.365 7.738 1.00 0.00 C ATOM 996 C LYS A 63 -3.401 -11.597 7.548 1.00 0.00 C ATOM 997 O LYS A 63 -2.687 -12.001 8.462 1.00 0.00 O ATOM 998 CB LYS A 63 -5.760 -10.780 7.707 1.00 0.00 C ATOM 999 CG LYS A 63 -6.144 -11.746 8.818 1.00 0.00 C ATOM 1000 CD LYS A 63 -6.363 -13.153 8.285 1.00 0.00 C ATOM 1001 CE LYS A 63 -7.734 -13.298 7.645 1.00 0.00 C ATOM 1002 NZ LYS A 63 -8.744 -13.824 8.605 1.00 0.00 N ATOM 0 H LYS A 63 -4.613 -9.429 5.891 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.044 -9.929 8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.382 -9.888 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.979 -11.241 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.360 -11.761 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.053 -11.396 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.591 -13.390 7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.262 -13.871 9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.062 -12.330 7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.665 -13.968 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.665 -13.908 8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.444 -14.760 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.829 -13.172 9.411 1.00 0.00 H new ATOM 1016 N LYS A 64 -3.476 -12.209 6.371 1.00 0.00 N ATOM 1017 CA LYS A 64 -2.701 -13.415 6.083 1.00 0.00 C ATOM 1018 C LYS A 64 -1.323 -13.104 5.505 1.00 0.00 C ATOM 1019 O LYS A 64 -0.298 -13.422 6.108 1.00 0.00 O ATOM 1020 CB LYS A 64 -3.475 -14.309 5.113 1.00 0.00 C ATOM 1021 CG LYS A 64 -2.932 -15.727 5.020 1.00 0.00 C ATOM 1022 CD LYS A 64 -2.117 -15.935 3.753 1.00 0.00 C ATOM 1023 CE LYS A 64 -1.937 -17.411 3.441 1.00 0.00 C ATOM 1024 NZ LYS A 64 -1.943 -17.675 1.975 1.00 0.00 N ATOM 0 H LYS A 64 -4.064 -11.892 5.600 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.546 -13.931 7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.519 -14.349 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.455 -13.856 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.311 -15.937 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.760 -16.436 5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.612 -15.443 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.140 -15.465 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.997 -17.760 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.735 -17.982 3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.818 -18.693 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.850 -17.366 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.166 -17.151 1.525 1.00 0.00 H new ATOM 1038 N MET A 65 -1.311 -12.511 4.318 1.00 0.00 N ATOM 1039 CA MET A 65 -0.067 -12.188 3.630 1.00 0.00 C ATOM 1040 C MET A 65 0.823 -11.251 4.443 1.00 0.00 C ATOM 1041 O MET A 65 2.027 -11.165 4.196 1.00 0.00 O ATOM 1042 CB MET A 65 -0.367 -11.565 2.265 1.00 0.00 C ATOM 1043 CG MET A 65 0.260 -12.321 1.105 1.00 0.00 C ATOM 1044 SD MET A 65 0.014 -11.495 -0.479 1.00 0.00 S ATOM 1045 CE MET A 65 0.323 -12.842 -1.617 1.00 0.00 C ATOM 0 H MET A 65 -2.153 -12.243 3.809 1.00 0.00 H new ATOM 0 HA MET A 65 0.478 -13.123 3.499 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.447 -11.525 2.122 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.006 -10.537 2.256 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.328 -12.437 1.287 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.166 -13.323 1.057 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.209 -12.487 -2.641 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.337 -13.214 -1.473 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.389 -13.646 -1.431 1.00 0.00 H new ATOM 1055 N TRP A 66 0.237 -10.539 5.397 1.00 0.00 N ATOM 1056 CA TRP A 66 1.006 -9.603 6.210 1.00 0.00 C ATOM 1057 C TRP A 66 1.384 -10.190 7.569 1.00 0.00 C ATOM 1058 O TRP A 66 2.444 -9.876 8.110 1.00 0.00 O ATOM 1059 CB TRP A 66 0.227 -8.302 6.401 1.00 0.00 C ATOM 1060 CG TRP A 66 1.030 -7.212 7.045 1.00 0.00 C ATOM 1061 CD1 TRP A 66 1.565 -6.115 6.432 1.00 0.00 C ATOM 1062 CD2 TRP A 66 1.388 -7.112 8.429 1.00 0.00 C ATOM 1063 NE1 TRP A 66 2.234 -5.339 7.348 1.00 0.00 N ATOM 1064 CE2 TRP A 66 2.140 -5.930 8.582 1.00 0.00 C ATOM 1065 CE3 TRP A 66 1.146 -7.906 9.553 1.00 0.00 C ATOM 1066 CZ2 TRP A 66 2.649 -5.525 9.814 1.00 0.00 C ATOM 1067 CZ3 TRP A 66 1.653 -7.503 10.776 1.00 0.00 C ATOM 1068 CH2 TRP A 66 2.396 -6.323 10.896 1.00 0.00 C ATOM 0 H TRP A 66 -0.756 -10.589 5.626 1.00 0.00 H new ATOM 0 HA TRP A 66 1.932 -9.398 5.673 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.129 -7.955 5.431 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -0.654 -8.502 7.011 1.00 0.00 H new ATOM 0 HD1 TRP A 66 1.475 -5.890 5.380 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.721 -4.466 7.144 1.00 0.00 H new ATOM 0 HE3 TRP A 66 0.574 -8.818 9.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 3.222 -4.615 9.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.472 -8.109 11.652 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.778 -6.036 11.864 1.00 0.00 H new ATOM 1079 N GLU A 67 0.513 -11.023 8.129 1.00 0.00 N ATOM 1080 CA GLU A 67 0.772 -11.620 9.437 1.00 0.00 C ATOM 1081 C GLU A 67 1.427 -12.996 9.325 1.00 0.00 C ATOM 1082 O GLU A 67 2.467 -13.245 9.935 1.00 0.00 O ATOM 1083 CB GLU A 67 -0.528 -11.734 10.237 1.00 0.00 C ATOM 1084 CG GLU A 67 -1.354 -10.457 10.240 1.00 0.00 C ATOM 1085 CD GLU A 67 -1.044 -9.562 11.424 1.00 0.00 C ATOM 1086 OE1 GLU A 67 0.020 -9.753 12.049 1.00 0.00 O ATOM 1087 OE2 GLU A 67 -1.865 -8.671 11.727 1.00 0.00 O ATOM 0 H GLU A 67 -0.372 -11.299 7.703 1.00 0.00 H new ATOM 0 HA GLU A 67 1.468 -10.961 9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.129 -12.545 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.290 -12.005 11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.170 -9.908 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.413 -10.714 10.252 1.00 0.00 H new ATOM 1094 N ASN A 68 0.808 -13.891 8.562 1.00 0.00 N ATOM 1095 CA ASN A 68 1.332 -15.245 8.401 1.00 0.00 C ATOM 1096 C ASN A 68 2.475 -15.288 7.391 1.00 0.00 C ATOM 1097 O ASN A 68 3.356 -16.144 7.476 1.00 0.00 O ATOM 1098 CB ASN A 68 0.214 -16.194 7.962 1.00 0.00 C ATOM 1099 CG ASN A 68 0.173 -17.461 8.795 1.00 0.00 C ATOM 1100 OD1 ASN A 68 -0.587 -17.561 9.758 1.00 0.00 O ATOM 1101 ND2 ASN A 68 0.994 -18.439 8.427 1.00 0.00 N ATOM 0 H ASN A 68 -0.053 -13.706 8.047 1.00 0.00 H new ATOM 0 HA ASN A 68 1.723 -15.566 9.366 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.745 -15.681 8.037 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.354 -16.456 6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.010 -19.315 8.950 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.608 -18.314 7.622 1.00 0.00 H new ATOM 1108 N ALA A 69 2.456 -14.368 6.434 1.00 0.00 N ATOM 1109 CA ALA A 69 3.495 -14.315 5.413 1.00 0.00 C ATOM 1110 C ALA A 69 4.414 -13.116 5.622 1.00 0.00 C ATOM 1111 O ALA A 69 4.000 -12.091 6.164 1.00 0.00 O ATOM 1112 CB ALA A 69 2.868 -14.272 4.030 1.00 0.00 C ATOM 0 H ALA A 69 1.736 -13.651 6.344 1.00 0.00 H new ATOM 0 HA ALA A 69 4.101 -15.217 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.654 -14.233 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.262 -15.165 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.237 -13.387 3.944 1.00 0.00 H new ATOM 1118 N LYS A 70 5.664 -13.252 5.192 1.00 0.00 N ATOM 1119 CA LYS A 70 6.644 -12.182 5.333 1.00 0.00 C ATOM 1120 C LYS A 70 6.775 -11.377 4.042 1.00 0.00 C ATOM 1121 O LYS A 70 7.533 -11.744 3.144 1.00 0.00 O ATOM 1122 CB LYS A 70 8.006 -12.759 5.726 1.00 0.00 C ATOM 1123 CG LYS A 70 8.170 -12.965 7.223 1.00 0.00 C ATOM 1124 CD LYS A 70 9.333 -13.893 7.531 1.00 0.00 C ATOM 1125 CE LYS A 70 8.900 -15.351 7.522 1.00 0.00 C ATOM 1126 NZ LYS A 70 9.285 -16.035 6.256 1.00 0.00 N ATOM 0 H LYS A 70 6.022 -14.094 4.742 1.00 0.00 H new ATOM 0 HA LYS A 70 6.296 -11.512 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.147 -13.713 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.791 -12.090 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.332 -12.003 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.251 -13.380 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.124 -13.743 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.751 -13.643 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.352 -15.870 8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.819 -15.410 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.307 -17.063 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.591 -15.810 5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.227 -15.710 5.958 1.00 0.00 H new ATOM 1140 N LYS A 71 6.037 -10.274 3.963 1.00 0.00 N ATOM 1141 CA LYS A 71 6.073 -9.406 2.788 1.00 0.00 C ATOM 1142 C LYS A 71 5.453 -8.055 3.105 1.00 0.00 C ATOM 1143 O LYS A 71 4.230 -7.904 3.094 1.00 0.00 O ATOM 1144 CB LYS A 71 5.326 -10.042 1.617 1.00 0.00 C ATOM 1145 CG LYS A 71 3.952 -10.569 1.990 1.00 0.00 C ATOM 1146 CD LYS A 71 3.966 -12.071 2.219 1.00 0.00 C ATOM 1147 CE LYS A 71 4.478 -12.821 0.998 1.00 0.00 C ATOM 1148 NZ LYS A 71 3.783 -14.125 0.815 1.00 0.00 N ATOM 0 H LYS A 71 5.405 -9.959 4.699 1.00 0.00 H new ATOM 0 HA LYS A 71 7.118 -9.268 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.220 -9.305 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.924 -10.861 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.603 -10.067 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.243 -10.329 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.595 -12.302 3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.959 -12.412 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.337 -12.206 0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.550 -12.992 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.823 -14.402 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.250 -14.852 1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.790 -14.033 1.109 1.00 0.00 H new ATOM 1162 N ILE A 72 6.297 -7.074 3.385 1.00 0.00 N ATOM 1163 CA ILE A 72 5.822 -5.737 3.701 1.00 0.00 C ATOM 1164 C ILE A 72 6.605 -4.682 2.935 1.00 0.00 C ATOM 1165 O ILE A 72 7.834 -4.659 2.969 1.00 0.00 O ATOM 1166 CB ILE A 72 5.924 -5.439 5.207 1.00 0.00 C ATOM 1167 CG1 ILE A 72 7.284 -5.907 5.752 1.00 0.00 C ATOM 1168 CG2 ILE A 72 4.766 -6.091 5.949 1.00 0.00 C ATOM 1169 CD1 ILE A 72 7.274 -7.301 6.345 1.00 0.00 C ATOM 0 H ILE A 72 7.312 -7.178 3.400 1.00 0.00 H new ATOM 0 HA ILE A 72 4.774 -5.700 3.403 1.00 0.00 H new ATOM 0 HB ILE A 72 5.858 -4.363 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.016 -5.874 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.618 -5.203 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.848 -5.874 7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.823 -5.697 5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.797 -7.170 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.272 -7.550 6.705 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.569 -7.338 7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.974 -8.019 5.582 1.00 0.00 H new ATOM 1181 N GLU A 73 5.879 -3.814 2.244 1.00 0.00 N ATOM 1182 CA GLU A 73 6.496 -2.747 1.465 1.00 0.00 C ATOM 1183 C GLU A 73 5.474 -1.665 1.126 1.00 0.00 C ATOM 1184 O GLU A 73 4.268 -1.912 1.132 1.00 0.00 O ATOM 1185 CB GLU A 73 7.112 -3.312 0.184 1.00 0.00 C ATOM 1186 CG GLU A 73 8.630 -3.401 0.230 1.00 0.00 C ATOM 1187 CD GLU A 73 9.157 -4.700 -0.348 1.00 0.00 C ATOM 1188 OE1 GLU A 73 9.129 -5.723 0.369 1.00 0.00 O ATOM 1189 OE2 GLU A 73 9.598 -4.694 -1.516 1.00 0.00 O ATOM 0 H GLU A 73 4.860 -3.827 2.206 1.00 0.00 H new ATOM 0 HA GLU A 73 7.286 -2.298 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.703 -4.306 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.818 -2.686 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.056 -2.563 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.964 -3.305 1.263 1.00 0.00 H new ATOM 1196 N VAL A 74 5.965 -0.466 0.829 1.00 0.00 N ATOM 1197 CA VAL A 74 5.094 0.651 0.488 1.00 0.00 C ATOM 1198 C VAL A 74 5.597 1.382 -0.751 1.00 0.00 C ATOM 1199 O VAL A 74 6.794 1.384 -1.040 1.00 0.00 O ATOM 1200 CB VAL A 74 4.981 1.653 1.652 1.00 0.00 C ATOM 1201 CG1 VAL A 74 4.119 1.085 2.767 1.00 0.00 C ATOM 1202 CG2 VAL A 74 6.362 2.026 2.170 1.00 0.00 C ATOM 0 H VAL A 74 6.960 -0.244 0.818 1.00 0.00 H new ATOM 0 HA VAL A 74 4.109 0.232 0.284 1.00 0.00 H new ATOM 0 HB VAL A 74 4.500 2.559 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.052 1.808 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.120 0.876 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.566 0.163 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.263 2.735 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.873 1.130 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.941 2.481 1.367 1.00 0.00 H new ATOM 1212 N GLU A 75 4.676 2.005 -1.480 1.00 0.00 N ATOM 1213 CA GLU A 75 5.025 2.741 -2.689 1.00 0.00 C ATOM 1214 C GLU A 75 3.960 3.781 -3.018 1.00 0.00 C ATOM 1215 O GLU A 75 2.968 3.480 -3.681 1.00 0.00 O ATOM 1216 CB GLU A 75 5.193 1.776 -3.864 1.00 0.00 C ATOM 1217 CG GLU A 75 6.500 1.960 -4.619 1.00 0.00 C ATOM 1218 CD GLU A 75 6.581 1.094 -5.861 1.00 0.00 C ATOM 1219 OE1 GLU A 75 5.921 0.033 -5.889 1.00 0.00 O ATOM 1220 OE2 GLU A 75 7.303 1.476 -6.806 1.00 0.00 O ATOM 0 H GLU A 75 3.681 2.014 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 75 5.968 3.258 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.138 0.752 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.361 1.910 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.608 3.007 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.334 1.721 -3.959 1.00 0.00 H new ATOM 1227 N PHE A 76 4.168 5.007 -2.548 1.00 0.00 N ATOM 1228 CA PHE A 76 3.218 6.086 -2.792 1.00 0.00 C ATOM 1229 C PHE A 76 3.937 7.413 -3.013 1.00 0.00 C ATOM 1230 O PHE A 76 4.633 7.908 -2.127 1.00 0.00 O ATOM 1231 CB PHE A 76 2.247 6.208 -1.617 1.00 0.00 C ATOM 1232 CG PHE A 76 2.930 6.441 -0.300 1.00 0.00 C ATOM 1233 CD1 PHE A 76 3.423 5.377 0.437 1.00 0.00 C ATOM 1234 CD2 PHE A 76 3.081 7.725 0.199 1.00 0.00 C ATOM 1235 CE1 PHE A 76 4.054 5.588 1.649 1.00 0.00 C ATOM 1236 CE2 PHE A 76 3.710 7.941 1.410 1.00 0.00 C ATOM 1237 CZ PHE A 76 4.198 6.872 2.135 1.00 0.00 C ATOM 0 H PHE A 76 4.983 5.277 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 76 2.660 5.846 -3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.556 7.029 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.650 5.298 -1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.313 4.371 0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.703 8.565 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.434 4.750 2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.820 8.946 1.790 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.692 7.040 3.081 1.00 0.00 H new ATOM 1247 N ASP A 77 3.761 7.984 -4.201 1.00 0.00 N ATOM 1248 CA ASP A 77 4.386 9.256 -4.538 1.00 0.00 C ATOM 1249 C ASP A 77 3.456 10.416 -4.203 1.00 0.00 C ATOM 1250 O ASP A 77 2.629 10.818 -5.022 1.00 0.00 O ATOM 1251 CB ASP A 77 4.750 9.290 -6.024 1.00 0.00 C ATOM 1252 CG ASP A 77 6.152 8.776 -6.291 1.00 0.00 C ATOM 1253 OD1 ASP A 77 6.452 7.634 -5.886 1.00 0.00 O ATOM 1254 OD2 ASP A 77 6.949 9.516 -6.904 1.00 0.00 O ATOM 0 H ASP A 77 3.190 7.585 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 77 5.296 9.358 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.034 8.689 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.665 10.312 -6.392 1.00 0.00 H new ATOM 1259 N LYS A 78 3.593 10.948 -2.994 1.00 0.00 N ATOM 1260 CA LYS A 78 2.759 12.059 -2.550 1.00 0.00 C ATOM 1261 C LYS A 78 3.449 13.397 -2.796 1.00 0.00 C ATOM 1262 O LYS A 78 3.015 14.182 -3.639 1.00 0.00 O ATOM 1263 CB LYS A 78 2.423 11.910 -1.064 1.00 0.00 C ATOM 1264 CG LYS A 78 1.271 12.793 -0.613 1.00 0.00 C ATOM 1265 CD LYS A 78 0.000 11.986 -0.392 1.00 0.00 C ATOM 1266 CE LYS A 78 -0.427 11.256 -1.657 1.00 0.00 C ATOM 1267 NZ LYS A 78 -1.109 12.161 -2.623 1.00 0.00 N ATOM 0 H LYS A 78 4.273 10.628 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 78 1.836 12.038 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.175 10.869 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.307 12.150 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.543 13.304 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.088 13.564 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.161 11.264 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.801 12.650 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.448 10.813 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.096 10.437 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.383 11.622 -3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.959 12.565 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.463 12.929 -2.895 1.00 0.00 H new ATOM 1281 N GLY A 79 4.518 13.654 -2.051 1.00 0.00 N ATOM 1282 CA GLY A 79 5.243 14.901 -2.204 1.00 0.00 C ATOM 1283 C GLY A 79 4.403 16.106 -1.829 1.00 0.00 C ATOM 1284 O GLY A 79 4.621 17.207 -2.335 1.00 0.00 O ATOM 0 H GLY A 79 4.895 13.022 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.138 14.877 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.576 15.001 -3.237 1.00 0.00 H new ATOM 1288 N GLN A 80 3.437 15.897 -0.937 1.00 0.00 N ATOM 1289 CA GLN A 80 2.561 16.973 -0.493 1.00 0.00 C ATOM 1290 C GLN A 80 2.506 17.033 1.029 1.00 0.00 C ATOM 1291 O GLN A 80 2.040 16.101 1.683 1.00 0.00 O ATOM 1292 CB GLN A 80 1.153 16.778 -1.058 1.00 0.00 C ATOM 1293 CG GLN A 80 1.056 17.041 -2.553 1.00 0.00 C ATOM 1294 CD GLN A 80 -0.325 16.751 -3.108 1.00 0.00 C ATOM 1295 OE1 GLN A 80 -1.232 17.578 -3.010 1.00 0.00 O ATOM 1296 NE2 GLN A 80 -0.491 15.572 -3.695 1.00 0.00 N ATOM 0 H GLN A 80 3.243 14.992 -0.509 1.00 0.00 H new ATOM 0 HA GLN A 80 2.966 17.915 -0.863 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.827 15.758 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.465 17.443 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.312 18.081 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.790 16.426 -3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.289 14.917 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.398 15.321 -4.087 1.00 0.00 H new ATOM 1305 N ARG A 81 2.987 18.138 1.587 1.00 0.00 N ATOM 1306 CA ARG A 81 2.995 18.325 3.032 1.00 0.00 C ATOM 1307 C ARG A 81 1.577 18.281 3.595 1.00 0.00 C ATOM 1308 O ARG A 81 0.830 19.256 3.495 1.00 0.00 O ATOM 1309 CB ARG A 81 3.654 19.660 3.390 1.00 0.00 C ATOM 1310 CG ARG A 81 3.189 20.818 2.521 1.00 0.00 C ATOM 1311 CD ARG A 81 3.589 22.160 3.112 1.00 0.00 C ATOM 1312 NE ARG A 81 2.427 22.963 3.485 1.00 0.00 N ATOM 1313 CZ ARG A 81 2.504 24.122 4.132 1.00 0.00 C ATOM 1314 NH1 ARG A 81 3.686 24.619 4.478 1.00 0.00 N ATOM 1315 NH2 ARG A 81 1.398 24.788 4.437 1.00 0.00 N ATOM 0 H ARG A 81 3.377 18.919 1.059 1.00 0.00 H new ATOM 0 HA ARG A 81 3.569 17.511 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.443 19.892 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.735 19.559 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.616 20.718 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.105 20.778 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.214 21.997 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.192 22.709 2.389 1.00 0.00 H new ATOM 0 HE ARG A 81 1.502 22.614 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.540 24.111 4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.740 25.509 4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.487 24.411 4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.459 25.677 4.933 1.00 0.00 H new ATOM 1329 N THR A 82 1.213 17.149 4.190 1.00 0.00 N ATOM 1330 CA THR A 82 -0.117 16.990 4.772 1.00 0.00 C ATOM 1331 C THR A 82 -0.360 18.049 5.843 1.00 0.00 C ATOM 1332 O THR A 82 0.575 18.506 6.499 1.00 0.00 O ATOM 1333 CB THR A 82 -0.278 15.590 5.363 1.00 0.00 C ATOM 1334 OG1 THR A 82 0.075 14.601 4.412 1.00 0.00 O ATOM 1335 CG2 THR A 82 -1.687 15.296 5.827 1.00 0.00 C ATOM 0 H THR A 82 1.816 16.332 4.282 1.00 0.00 H new ATOM 0 HA THR A 82 -0.857 17.120 3.982 1.00 0.00 H new ATOM 0 HB THR A 82 0.386 15.563 6.227 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.430 13.814 4.875 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.732 14.287 6.236 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.973 16.012 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.372 15.377 4.983 1.00 0.00 H new ATOM 1343 N ASP A 83 -1.617 18.452 6.002 1.00 0.00 N ATOM 1344 CA ASP A 83 -1.972 19.479 6.980 1.00 0.00 C ATOM 1345 C ASP A 83 -2.879 18.933 8.081 1.00 0.00 C ATOM 1346 O ASP A 83 -2.637 19.168 9.265 1.00 0.00 O ATOM 1347 CB ASP A 83 -2.653 20.659 6.280 1.00 0.00 C ATOM 1348 CG ASP A 83 -1.818 21.924 6.337 1.00 0.00 C ATOM 1349 OD1 ASP A 83 -1.014 22.063 7.281 1.00 0.00 O ATOM 1350 OD2 ASP A 83 -1.969 22.776 5.436 1.00 0.00 O ATOM 0 H ASP A 83 -2.406 18.085 5.469 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.048 19.815 7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.844 20.399 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.621 20.844 6.745 1.00 0.00 H new ATOM 1355 N LYS A 84 -3.935 18.227 7.680 1.00 0.00 N ATOM 1356 CA LYS A 84 -4.900 17.665 8.628 1.00 0.00 C ATOM 1357 C LYS A 84 -4.219 17.113 9.881 1.00 0.00 C ATOM 1358 O LYS A 84 -4.448 17.602 10.987 1.00 0.00 O ATOM 1359 CB LYS A 84 -5.733 16.567 7.959 1.00 0.00 C ATOM 1360 CG LYS A 84 -4.929 15.641 7.057 1.00 0.00 C ATOM 1361 CD LYS A 84 -5.689 15.307 5.783 1.00 0.00 C ATOM 1362 CE LYS A 84 -4.832 14.507 4.814 1.00 0.00 C ATOM 1363 NZ LYS A 84 -5.555 13.320 4.283 1.00 0.00 N ATOM 0 H LYS A 84 -4.146 18.029 6.702 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.557 18.478 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.219 15.972 8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.524 17.033 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.980 16.113 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.694 14.722 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.585 14.739 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.019 16.228 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.527 15.147 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.922 14.182 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.937 12.802 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.824 12.696 5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.411 13.631 3.780 1.00 0.00 H new ATOM 1377 N TYR A 85 -3.384 16.095 9.705 1.00 0.00 N ATOM 1378 CA TYR A 85 -2.682 15.486 10.830 1.00 0.00 C ATOM 1379 C TYR A 85 -1.200 15.292 10.518 1.00 0.00 C ATOM 1380 O TYR A 85 -0.349 15.413 11.400 1.00 0.00 O ATOM 1381 CB TYR A 85 -3.318 14.141 11.185 1.00 0.00 C ATOM 1382 CG TYR A 85 -3.058 13.705 12.609 1.00 0.00 C ATOM 1383 CD1 TYR A 85 -1.774 13.392 13.037 1.00 0.00 C ATOM 1384 CD2 TYR A 85 -4.098 13.608 13.526 1.00 0.00 C ATOM 1385 CE1 TYR A 85 -1.534 12.993 14.338 1.00 0.00 C ATOM 1386 CE2 TYR A 85 -3.865 13.211 14.829 1.00 0.00 C ATOM 1387 CZ TYR A 85 -2.582 12.905 15.230 1.00 0.00 C ATOM 1388 OH TYR A 85 -2.346 12.507 16.526 1.00 0.00 O ATOM 0 H TYR A 85 -3.177 15.675 8.799 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.766 16.161 11.682 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.394 14.204 11.024 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.938 13.378 10.505 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.950 13.462 12.342 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.104 13.847 13.215 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.530 12.751 14.655 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -4.684 13.141 15.530 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.190 12.499 17.024 1.00 0.00 H new ATOM 1398 N GLY A 86 -0.901 14.979 9.263 1.00 0.00 N ATOM 1399 CA GLY A 86 0.476 14.763 8.861 1.00 0.00 C ATOM 1400 C GLY A 86 0.688 13.371 8.305 1.00 0.00 C ATOM 1401 O GLY A 86 1.748 12.772 8.492 1.00 0.00 O ATOM 0 H GLY A 86 -1.588 14.871 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 86 0.755 15.501 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.133 14.916 9.717 1.00 0.00 H new ATOM 1405 N ARG A 87 -0.325 12.853 7.616 1.00 0.00 N ATOM 1406 CA ARG A 87 -0.249 11.519 7.029 1.00 0.00 C ATOM 1407 C ARG A 87 -0.865 11.501 5.638 1.00 0.00 C ATOM 1408 O ARG A 87 -2.044 11.811 5.460 1.00 0.00 O ATOM 1409 CB ARG A 87 -0.950 10.489 7.921 1.00 0.00 C ATOM 1410 CG ARG A 87 -2.154 11.041 8.670 1.00 0.00 C ATOM 1411 CD ARG A 87 -3.342 10.096 8.587 1.00 0.00 C ATOM 1412 NE ARG A 87 -4.520 10.632 9.266 1.00 0.00 N ATOM 1413 CZ ARG A 87 -5.759 10.196 9.053 1.00 0.00 C ATOM 1414 NH1 ARG A 87 -5.984 9.212 8.192 1.00 0.00 N ATOM 1415 NH2 ARG A 87 -6.776 10.742 9.706 1.00 0.00 N ATOM 0 H ARG A 87 -1.208 13.337 7.451 1.00 0.00 H new ATOM 0 HA ARG A 87 0.805 11.254 6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.271 9.649 7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.232 10.100 8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.890 11.205 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.429 12.011 8.255 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.582 9.907 7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.074 9.137 9.030 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.385 11.384 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.205 8.786 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.936 8.882 8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.609 11.496 10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.726 10.408 9.542 1.00 0.00 H new ATOM 1429 N GLY A 88 -0.055 11.138 4.653 1.00 0.00 N ATOM 1430 CA GLY A 88 -0.520 11.085 3.283 1.00 0.00 C ATOM 1431 C GLY A 88 -1.403 9.882 3.009 1.00 0.00 C ATOM 1432 O GLY A 88 -2.239 9.511 3.832 1.00 0.00 O ATOM 0 H GLY A 88 0.923 10.878 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.074 11.996 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.339 11.060 2.613 1.00 0.00 H new ATOM 1436 N LEU A 89 -1.219 9.282 1.839 1.00 0.00 N ATOM 1437 CA LEU A 89 -2.003 8.121 1.431 1.00 0.00 C ATOM 1438 C LEU A 89 -1.099 6.979 0.976 1.00 0.00 C ATOM 1439 O LEU A 89 -0.399 7.109 -0.029 1.00 0.00 O ATOM 1440 CB LEU A 89 -2.938 8.516 0.285 1.00 0.00 C ATOM 1441 CG LEU A 89 -3.787 9.764 0.538 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -3.043 11.016 0.102 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -5.118 9.657 -0.189 1.00 0.00 C ATOM 0 H LEU A 89 -0.529 9.583 1.151 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.583 7.780 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.340 8.679 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.604 7.679 0.076 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.981 9.836 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.664 11.892 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.114 11.102 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.817 10.953 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.710 10.552 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.941 9.560 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.659 8.782 0.170 1.00 0.00 H new ATOM 1455 N ALA A 90 -1.116 5.850 1.690 1.00 0.00 N ATOM 1456 CA ALA A 90 -0.288 4.717 1.286 1.00 0.00 C ATOM 1457 C ALA A 90 -1.023 3.387 1.363 1.00 0.00 C ATOM 1458 O ALA A 90 -2.059 3.269 1.997 1.00 0.00 O ATOM 1459 CB ALA A 90 1.016 4.657 2.066 1.00 0.00 C ATOM 0 H ALA A 90 -1.678 5.700 2.528 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.048 4.889 0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.600 3.799 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.584 5.571 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.799 4.558 3.130 1.00 0.00 H new ATOM 1465 N TYR A 91 -0.480 2.387 0.675 1.00 0.00 N ATOM 1466 CA TYR A 91 -1.088 1.060 0.636 1.00 0.00 C ATOM 1467 C TYR A 91 -0.039 -0.014 0.909 1.00 0.00 C ATOM 1468 O TYR A 91 1.158 0.216 0.733 1.00 0.00 O ATOM 1469 CB TYR A 91 -1.752 0.819 -0.730 1.00 0.00 C ATOM 1470 CG TYR A 91 -1.806 2.054 -1.608 1.00 0.00 C ATOM 1471 CD1 TYR A 91 -2.416 3.219 -1.161 1.00 0.00 C ATOM 1472 CD2 TYR A 91 -1.227 2.062 -2.871 1.00 0.00 C ATOM 1473 CE1 TYR A 91 -2.451 4.354 -1.942 1.00 0.00 C ATOM 1474 CE2 TYR A 91 -1.262 3.194 -3.664 1.00 0.00 C ATOM 1475 CZ TYR A 91 -1.874 4.339 -3.194 1.00 0.00 C ATOM 1476 OH TYR A 91 -1.905 5.469 -3.978 1.00 0.00 O ATOM 0 H TYR A 91 0.382 2.470 0.136 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.852 1.005 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.208 0.034 -1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.766 0.452 -0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.872 3.236 -0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.742 1.170 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.928 5.251 -1.575 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.813 3.183 -4.646 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.453 5.289 -4.829 1.00 0.00 H new ATOM 1486 N ILE A 92 -0.493 -1.184 1.345 1.00 0.00 N ATOM 1487 CA ILE A 92 0.412 -2.288 1.648 1.00 0.00 C ATOM 1488 C ILE A 92 0.842 -3.016 0.381 1.00 0.00 C ATOM 1489 O ILE A 92 0.084 -3.103 -0.587 1.00 0.00 O ATOM 1490 CB ILE A 92 -0.240 -3.298 2.613 1.00 0.00 C ATOM 1491 CG1 ILE A 92 -1.504 -3.893 1.991 1.00 0.00 C ATOM 1492 CG2 ILE A 92 -0.561 -2.629 3.941 1.00 0.00 C ATOM 1493 CD1 ILE A 92 -1.286 -5.253 1.363 1.00 0.00 C ATOM 0 H ILE A 92 -1.480 -1.393 1.496 1.00 0.00 H new ATOM 0 HA ILE A 92 1.290 -1.853 2.125 1.00 0.00 H new ATOM 0 HB ILE A 92 0.466 -4.108 2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.273 -3.975 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.883 -3.208 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.021 -3.354 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.358 -2.251 4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.250 -1.801 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.224 -5.614 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.540 -5.173 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.936 -5.953 2.122 1.00 0.00 H new ATOM 1505 N TYR A 93 2.063 -3.542 0.393 1.00 0.00 N ATOM 1506 CA TYR A 93 2.597 -4.265 -0.755 1.00 0.00 C ATOM 1507 C TYR A 93 3.391 -5.488 -0.306 1.00 0.00 C ATOM 1508 O TYR A 93 4.263 -5.393 0.557 1.00 0.00 O ATOM 1509 CB TYR A 93 3.483 -3.348 -1.598 1.00 0.00 C ATOM 1510 CG TYR A 93 2.715 -2.524 -2.608 1.00 0.00 C ATOM 1511 CD1 TYR A 93 2.421 -3.033 -3.869 1.00 0.00 C ATOM 1512 CD2 TYR A 93 2.283 -1.240 -2.301 1.00 0.00 C ATOM 1513 CE1 TYR A 93 1.719 -2.283 -4.793 1.00 0.00 C ATOM 1514 CE2 TYR A 93 1.580 -0.484 -3.221 1.00 0.00 C ATOM 1515 CZ TYR A 93 1.300 -1.011 -4.465 1.00 0.00 C ATOM 1516 OH TYR A 93 0.602 -0.261 -5.383 1.00 0.00 O ATOM 0 H TYR A 93 2.701 -3.481 1.186 1.00 0.00 H new ATOM 0 HA TYR A 93 1.757 -4.602 -1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.031 -2.677 -0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.223 -3.953 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.746 -4.029 -4.130 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.500 -0.825 -1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 93 1.499 -2.691 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.252 0.513 -2.967 1.00 0.00 H new ATOM 0 HH TYR A 93 0.381 0.610 -4.993 1.00 0.00 H new ATOM 1526 N ALA A 94 3.078 -6.635 -0.897 1.00 0.00 N ATOM 1527 CA ALA A 94 3.752 -7.884 -0.562 1.00 0.00 C ATOM 1528 C ALA A 94 5.059 -8.036 -1.336 1.00 0.00 C ATOM 1529 O ALA A 94 5.052 -8.238 -2.550 1.00 0.00 O ATOM 1530 CB ALA A 94 2.834 -9.063 -0.841 1.00 0.00 C ATOM 0 H ALA A 94 2.358 -6.726 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 94 3.994 -7.862 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.346 -9.991 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.930 -8.971 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.566 -9.073 -1.897 1.00 0.00 H new ATOM 1536 N ASP A 95 6.180 -7.940 -0.625 1.00 0.00 N ATOM 1537 CA ASP A 95 7.493 -8.070 -1.248 1.00 0.00 C ATOM 1538 C ASP A 95 7.698 -6.989 -2.302 1.00 0.00 C ATOM 1539 O ASP A 95 8.544 -7.120 -3.187 1.00 0.00 O ATOM 1540 CB ASP A 95 7.651 -9.454 -1.881 1.00 0.00 C ATOM 1541 CG ASP A 95 9.067 -9.984 -1.761 1.00 0.00 C ATOM 1542 OD1 ASP A 95 9.959 -9.456 -2.455 1.00 0.00 O ATOM 1543 OD2 ASP A 95 9.282 -10.928 -0.970 1.00 0.00 O ATOM 0 H ASP A 95 6.205 -7.773 0.381 1.00 0.00 H new ATOM 0 HA ASP A 95 8.250 -7.949 -0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 95 6.963 -10.151 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.372 -9.404 -2.934 1.00 0.00 H new ATOM 1548 N GLY A 96 6.916 -5.921 -2.198 1.00 0.00 N ATOM 1549 CA GLY A 96 7.021 -4.828 -3.147 1.00 0.00 C ATOM 1550 C GLY A 96 6.638 -5.242 -4.554 1.00 0.00 C ATOM 1551 O GLY A 96 7.217 -6.172 -5.115 1.00 0.00 O ATOM 0 H GLY A 96 6.210 -5.792 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.378 -4.009 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.043 -4.449 -3.149 1.00 0.00 H new