USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 806 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 40 GLN : amide:sc= -0.928! C(o=-1.8!,f=-5.5!) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -1.6 F(o=-2.5,f=-1.8) USER MOD Set 1.3: A 50 TYR OH : rot -159:sc= 0.685 USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= 0.429 (180deg=0.296) USER MOD Single : A 5 SER OG : rot -131:sc= 1.02 USER MOD Single : A 7 MET CE :methyl -175:sc= 0 (180deg=-0.00328) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 1.09 (180deg=-1.02!) USER MOD Single : A 28 LYS NZ :NH3+ 137:sc= 0.733 (180deg=0.0311) USER MOD Single : A 72 THR OG1 : rot -115:sc= -1.58 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -124:sc= 0.0998 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 3.279 -1.100 -2.634 1.00 0.00 N ATOM 19 CA ARG A 2 3.570 -2.412 -3.236 1.00 0.00 C ATOM 20 C ARG A 2 4.979 -2.863 -2.809 1.00 0.00 C ATOM 21 O ARG A 2 5.971 -2.189 -3.117 1.00 0.00 O ATOM 22 CB ARG A 2 3.507 -2.335 -4.782 1.00 0.00 C ATOM 23 CG ARG A 2 2.239 -1.680 -5.353 1.00 0.00 C ATOM 24 CD ARG A 2 2.259 -1.631 -6.889 1.00 0.00 C ATOM 25 NE ARG A 2 3.476 -0.979 -7.407 1.00 0.00 N ATOM 26 CZ ARG A 2 3.836 -0.924 -8.697 1.00 0.00 C ATOM 27 NH1 ARG A 2 3.070 -1.445 -9.647 1.00 0.00 N ATOM 28 NH2 ARG A 2 4.975 -0.335 -9.028 1.00 0.00 N ATOM 0 HA ARG A 2 2.823 -3.127 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.375 -1.780 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.587 -3.345 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.362 -2.235 -5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.145 -0.668 -4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.195 -2.645 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.380 -1.094 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 2 4.094 -0.534 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.190 -1.898 -9.401 1.00 0.00 H new ATOM 0 HH12 ARG A 2 3.362 -1.393 -10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.568 0.071 -8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.259 -0.287 -10.007 1.00 0.00 H new ATOM 42 N LEU A 3 5.044 -3.977 -2.073 1.00 0.00 N ATOM 43 CA LEU A 3 6.293 -4.527 -1.516 1.00 0.00 C ATOM 44 C LEU A 3 6.111 -6.027 -1.204 1.00 0.00 C ATOM 45 O LEU A 3 5.073 -6.625 -1.539 1.00 0.00 O ATOM 46 CB LEU A 3 6.746 -3.700 -0.246 1.00 0.00 C ATOM 47 CG LEU A 3 5.617 -3.025 0.613 1.00 0.00 C ATOM 48 CD1 LEU A 3 4.663 -4.057 1.219 1.00 0.00 C ATOM 49 CD2 LEU A 3 6.198 -2.103 1.706 1.00 0.00 C ATOM 0 H LEU A 3 4.221 -4.533 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 3 7.091 -4.437 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.313 -4.365 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.430 -2.919 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 3 5.038 -2.404 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.899 -3.546 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.188 -4.626 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.222 -4.734 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.383 -1.657 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.832 -2.686 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.789 -1.315 1.240 1.00 0.00 H new ATOM 61 N LYS A 4 7.139 -6.627 -0.585 1.00 0.00 N ATOM 62 CA LYS A 4 7.100 -8.029 -0.133 1.00 0.00 C ATOM 63 C LYS A 4 6.086 -8.232 1.017 1.00 0.00 C ATOM 64 O LYS A 4 5.688 -7.280 1.691 1.00 0.00 O ATOM 65 CB LYS A 4 8.499 -8.492 0.358 1.00 0.00 C ATOM 66 CG LYS A 4 9.599 -8.633 -0.713 1.00 0.00 C ATOM 67 CD LYS A 4 10.875 -9.261 -0.101 1.00 0.00 C ATOM 68 CE LYS A 4 11.987 -9.534 -1.123 1.00 0.00 C ATOM 69 NZ LYS A 4 13.199 -10.105 -0.472 1.00 0.00 N ATOM 0 H LYS A 4 8.021 -6.156 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 4 6.790 -8.625 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.846 -7.784 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.383 -9.455 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.239 -9.254 -1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.833 -7.655 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.261 -8.596 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.608 -10.197 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.622 -10.224 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.249 -8.607 -1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.783 -10.584 -1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.749 -9.340 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.912 -10.789 0.256 1.00 0.00 H new ATOM 83 N SER A 5 5.701 -9.503 1.226 1.00 0.00 N ATOM 84 CA SER A 5 5.009 -9.971 2.442 1.00 0.00 C ATOM 85 C SER A 5 5.853 -9.632 3.686 1.00 0.00 C ATOM 86 O SER A 5 5.355 -9.129 4.683 1.00 0.00 O ATOM 87 CB SER A 5 4.830 -11.508 2.359 1.00 0.00 C ATOM 88 OG SER A 5 4.381 -11.906 1.081 1.00 0.00 O ATOM 0 H SER A 5 5.864 -10.246 0.546 1.00 0.00 H new ATOM 0 HA SER A 5 4.038 -9.481 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.777 -11.999 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.116 -11.834 3.115 1.00 0.00 H new ATOM 0 HG SER A 5 3.614 -12.509 1.177 1.00 0.00 H new ATOM 94 N GLU A 6 7.148 -9.932 3.547 1.00 0.00 N ATOM 95 CA GLU A 6 8.204 -9.686 4.534 1.00 0.00 C ATOM 96 C GLU A 6 8.302 -8.202 4.927 1.00 0.00 C ATOM 97 O GLU A 6 8.395 -7.865 6.118 1.00 0.00 O ATOM 98 CB GLU A 6 9.544 -10.192 3.916 1.00 0.00 C ATOM 99 CG GLU A 6 10.836 -9.865 4.700 1.00 0.00 C ATOM 100 CD GLU A 6 10.976 -10.608 6.039 1.00 0.00 C ATOM 101 OE1 GLU A 6 10.445 -10.128 7.061 1.00 0.00 O ATOM 102 OE2 GLU A 6 11.615 -11.676 6.066 1.00 0.00 O ATOM 0 H GLU A 6 7.506 -10.375 2.701 1.00 0.00 H new ATOM 0 HA GLU A 6 7.975 -10.221 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.479 -11.274 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.638 -9.771 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.696 -10.105 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.869 -8.792 4.889 1.00 0.00 H new ATOM 109 N MET A 7 8.289 -7.317 3.926 1.00 0.00 N ATOM 110 CA MET A 7 8.387 -5.878 4.170 1.00 0.00 C ATOM 111 C MET A 7 7.037 -5.313 4.670 1.00 0.00 C ATOM 112 O MET A 7 7.017 -4.330 5.418 1.00 0.00 O ATOM 113 CB MET A 7 8.885 -5.130 2.907 1.00 0.00 C ATOM 114 CG MET A 7 9.177 -3.644 3.154 1.00 0.00 C ATOM 115 SD MET A 7 10.344 -3.392 4.514 1.00 0.00 S ATOM 116 CE MET A 7 9.798 -1.823 5.192 1.00 0.00 C ATOM 0 H MET A 7 8.212 -7.573 2.942 1.00 0.00 H new ATOM 0 HA MET A 7 9.125 -5.716 4.955 1.00 0.00 H new ATOM 0 HB2 MET A 7 9.790 -5.614 2.540 1.00 0.00 H new ATOM 0 HB3 MET A 7 8.135 -5.219 2.121 1.00 0.00 H new ATOM 0 HG2 MET A 7 9.580 -3.199 2.244 1.00 0.00 H new ATOM 0 HG3 MET A 7 8.245 -3.125 3.377 1.00 0.00 H new ATOM 0 HE1 MET A 7 10.484 -1.508 5.978 1.00 0.00 H new ATOM 0 HE2 MET A 7 9.780 -1.072 4.402 1.00 0.00 H new ATOM 0 HE3 MET A 7 8.797 -1.935 5.608 1.00 0.00 H new ATOM 126 N PHE A 8 5.914 -5.974 4.295 1.00 0.00 N ATOM 127 CA PHE A 8 4.559 -5.516 4.670 1.00 0.00 C ATOM 128 C PHE A 8 4.323 -5.781 6.161 1.00 0.00 C ATOM 129 O PHE A 8 3.856 -4.901 6.879 1.00 0.00 O ATOM 130 CB PHE A 8 3.453 -6.215 3.818 1.00 0.00 C ATOM 131 CG PHE A 8 2.057 -5.569 3.964 1.00 0.00 C ATOM 132 CD1 PHE A 8 1.223 -5.869 5.045 1.00 0.00 C ATOM 133 CD2 PHE A 8 1.600 -4.632 3.032 1.00 0.00 C ATOM 134 CE1 PHE A 8 -0.004 -5.252 5.185 1.00 0.00 C ATOM 135 CE2 PHE A 8 0.372 -4.018 3.181 1.00 0.00 C ATOM 136 CZ PHE A 8 -0.431 -4.329 4.255 1.00 0.00 C ATOM 0 H PHE A 8 5.923 -6.825 3.733 1.00 0.00 H new ATOM 0 HA PHE A 8 4.497 -4.446 4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.746 -6.192 2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.391 -7.264 4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.543 -6.593 5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.218 -4.384 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.633 -5.494 6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.041 -3.292 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.393 -3.851 4.368 1.00 0.00 H new ATOM 146 N VAL A 9 4.655 -7.010 6.604 1.00 0.00 N ATOM 147 CA VAL A 9 4.465 -7.442 7.999 1.00 0.00 C ATOM 148 C VAL A 9 5.318 -6.592 8.951 1.00 0.00 C ATOM 149 O VAL A 9 4.849 -6.196 10.016 1.00 0.00 O ATOM 150 CB VAL A 9 4.776 -8.972 8.205 1.00 0.00 C ATOM 151 CG1 VAL A 9 3.789 -9.856 7.418 1.00 0.00 C ATOM 152 CG2 VAL A 9 6.233 -9.325 7.857 1.00 0.00 C ATOM 0 H VAL A 9 5.061 -7.728 6.004 1.00 0.00 H new ATOM 0 HA VAL A 9 3.411 -7.293 8.234 1.00 0.00 H new ATOM 0 HB VAL A 9 4.643 -9.178 9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.031 -10.906 7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.773 -9.660 7.760 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.864 -9.628 6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.397 -10.391 8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.427 -9.079 6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.908 -8.755 8.496 1.00 0.00 H new ATOM 162 N SER A 10 6.551 -6.278 8.516 1.00 0.00 N ATOM 163 CA SER A 10 7.472 -5.417 9.264 1.00 0.00 C ATOM 164 C SER A 10 6.877 -4.001 9.384 1.00 0.00 C ATOM 165 O SER A 10 6.723 -3.482 10.487 1.00 0.00 O ATOM 166 CB SER A 10 8.850 -5.381 8.565 1.00 0.00 C ATOM 167 OG SER A 10 9.824 -4.714 9.354 1.00 0.00 O ATOM 0 H SER A 10 6.934 -6.617 7.633 1.00 0.00 H new ATOM 0 HA SER A 10 7.611 -5.820 10.267 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.182 -6.399 8.362 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.756 -4.879 7.602 1.00 0.00 H new ATOM 0 HG SER A 10 10.682 -4.712 8.881 1.00 0.00 H new ATOM 173 N ALA A 11 6.462 -3.440 8.234 1.00 0.00 N ATOM 174 CA ALA A 11 5.866 -2.091 8.149 1.00 0.00 C ATOM 175 C ALA A 11 4.573 -1.977 8.989 1.00 0.00 C ATOM 176 O ALA A 11 4.314 -0.940 9.607 1.00 0.00 O ATOM 177 CB ALA A 11 5.592 -1.735 6.678 1.00 0.00 C ATOM 0 H ALA A 11 6.530 -3.911 7.332 1.00 0.00 H new ATOM 0 HA ALA A 11 6.580 -1.380 8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.152 -0.739 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.528 -1.751 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.901 -2.462 6.250 1.00 0.00 H new ATOM 183 N LEU A 12 3.815 -3.091 9.037 1.00 0.00 N ATOM 184 CA LEU A 12 2.509 -3.195 9.731 1.00 0.00 C ATOM 185 C LEU A 12 2.706 -3.020 11.246 1.00 0.00 C ATOM 186 O LEU A 12 1.923 -2.339 11.920 1.00 0.00 O ATOM 187 CB LEU A 12 1.850 -4.573 9.390 1.00 0.00 C ATOM 188 CG LEU A 12 0.289 -4.704 9.517 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.194 -6.014 8.856 1.00 0.00 C ATOM 190 CD2 LEU A 12 -0.214 -4.637 10.978 1.00 0.00 C ATOM 0 H LEU A 12 4.096 -3.962 8.587 1.00 0.00 H new ATOM 0 HA LEU A 12 1.841 -2.404 9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.123 -4.828 8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.301 -5.326 10.037 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.134 -3.844 8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.277 -6.092 8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.078 -6.011 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.276 -6.865 9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.300 -4.734 10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.231 -5.449 11.554 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.072 -3.681 11.418 1.00 0.00 H new ATOM 202 N ILE A 13 3.778 -3.631 11.743 1.00 0.00 N ATOM 203 CA ILE A 13 4.177 -3.564 13.149 1.00 0.00 C ATOM 204 C ILE A 13 4.464 -2.111 13.575 1.00 0.00 C ATOM 205 O ILE A 13 3.992 -1.652 14.608 1.00 0.00 O ATOM 206 CB ILE A 13 5.421 -4.503 13.369 1.00 0.00 C ATOM 207 CG1 ILE A 13 4.995 -5.989 13.125 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.071 -4.325 14.761 1.00 0.00 C ATOM 209 CD1 ILE A 13 6.123 -6.979 13.047 1.00 0.00 C ATOM 0 H ILE A 13 4.406 -4.197 11.172 1.00 0.00 H new ATOM 0 HA ILE A 13 3.360 -3.913 13.781 1.00 0.00 H new ATOM 0 HB ILE A 13 6.187 -4.219 12.648 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.323 -6.293 13.927 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.426 -6.038 12.197 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.923 -4.999 14.854 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.409 -3.295 14.876 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.340 -4.556 15.536 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.720 -7.977 12.876 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.787 -6.710 12.225 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.682 -6.969 13.983 1.00 0.00 H new ATOM 221 N ARG A 14 5.188 -1.371 12.736 1.00 0.00 N ATOM 222 CA ARG A 14 5.540 0.034 13.033 1.00 0.00 C ATOM 223 C ARG A 14 4.305 0.953 12.882 1.00 0.00 C ATOM 224 O ARG A 14 4.258 2.014 13.508 1.00 0.00 O ATOM 225 CB ARG A 14 6.743 0.529 12.177 1.00 0.00 C ATOM 226 CG ARG A 14 8.126 -0.081 12.561 1.00 0.00 C ATOM 227 CD ARG A 14 8.225 -1.582 12.253 1.00 0.00 C ATOM 228 NE ARG A 14 9.535 -2.180 12.576 1.00 0.00 N ATOM 229 CZ ARG A 14 9.791 -3.507 12.593 1.00 0.00 C ATOM 230 NH1 ARG A 14 8.826 -4.385 12.359 1.00 0.00 N ATOM 231 NH2 ARG A 14 11.015 -3.947 12.851 1.00 0.00 N ATOM 0 H ARG A 14 5.546 -1.712 11.844 1.00 0.00 H new ATOM 0 HA ARG A 14 5.864 0.081 14.073 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.542 0.302 11.130 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.806 1.614 12.261 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.912 0.448 12.022 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.305 0.079 13.624 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.450 -2.108 12.811 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.017 -1.739 11.195 1.00 0.00 H new ATOM 0 HE ARG A 14 10.302 -1.547 12.803 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.879 -4.062 12.164 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.031 -5.384 12.374 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.767 -3.283 13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.205 -4.949 12.863 1.00 0.00 H new ATOM 245 N ARG A 15 3.301 0.532 12.061 1.00 0.00 N ATOM 246 CA ARG A 15 1.998 1.245 11.952 1.00 0.00 C ATOM 247 C ARG A 15 1.271 1.241 13.310 1.00 0.00 C ATOM 248 O ARG A 15 0.745 2.274 13.752 1.00 0.00 O ATOM 249 CB ARG A 15 1.053 0.604 10.886 1.00 0.00 C ATOM 250 CG ARG A 15 1.550 0.662 9.431 1.00 0.00 C ATOM 251 CD ARG A 15 0.529 0.090 8.419 1.00 0.00 C ATOM 252 NE ARG A 15 -0.709 0.893 8.372 1.00 0.00 N ATOM 253 CZ ARG A 15 -1.486 1.079 7.291 1.00 0.00 C ATOM 254 NH1 ARG A 15 -1.137 0.600 6.100 1.00 0.00 N ATOM 255 NH2 ARG A 15 -2.601 1.781 7.413 1.00 0.00 N ATOM 0 H ARG A 15 3.370 -0.295 11.468 1.00 0.00 H new ATOM 0 HA ARG A 15 2.229 2.264 11.641 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.890 -0.440 11.153 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.085 1.102 10.940 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.771 1.697 9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.484 0.106 9.350 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.980 0.059 7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.285 -0.937 8.690 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.001 1.347 9.237 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.266 0.081 5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.741 0.752 5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.861 2.173 8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.201 1.931 6.602 1.00 0.00 H new ATOM 269 N VAL A 16 1.241 0.060 13.968 1.00 0.00 N ATOM 270 CA VAL A 16 0.512 -0.112 15.235 1.00 0.00 C ATOM 271 C VAL A 16 1.258 0.583 16.397 1.00 0.00 C ATOM 272 O VAL A 16 0.625 1.185 17.250 1.00 0.00 O ATOM 273 CB VAL A 16 0.211 -1.626 15.586 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.382 -2.396 14.380 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.438 -2.354 16.132 1.00 0.00 C ATOM 0 H VAL A 16 1.713 -0.783 13.640 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.457 0.368 15.097 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.539 -1.605 16.376 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.573 -3.430 14.667 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.316 -1.927 14.072 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.325 -2.374 13.551 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.177 -3.388 16.357 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.234 -2.334 15.388 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.779 -1.860 17.042 1.00 0.00 H new ATOM 285 N PHE A 17 2.611 0.521 16.402 1.00 0.00 N ATOM 286 CA PHE A 17 3.448 1.214 17.416 1.00 0.00 C ATOM 287 C PHE A 17 3.369 2.748 17.237 1.00 0.00 C ATOM 288 O PHE A 17 3.501 3.498 18.209 1.00 0.00 O ATOM 289 CB PHE A 17 4.929 0.706 17.395 1.00 0.00 C ATOM 290 CG PHE A 17 5.152 -0.638 18.118 1.00 0.00 C ATOM 291 CD1 PHE A 17 5.345 -0.683 19.501 1.00 0.00 C ATOM 292 CD2 PHE A 17 5.155 -1.847 17.427 1.00 0.00 C ATOM 293 CE1 PHE A 17 5.533 -1.888 20.158 1.00 0.00 C ATOM 294 CE2 PHE A 17 5.341 -3.050 18.085 1.00 0.00 C ATOM 295 CZ PHE A 17 5.530 -3.071 19.448 1.00 0.00 C ATOM 0 H PHE A 17 3.150 -0.004 15.713 1.00 0.00 H new ATOM 0 HA PHE A 17 3.046 0.970 18.399 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.251 0.605 16.359 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.566 1.462 17.854 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.348 0.237 20.067 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.009 -1.846 16.357 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.682 -1.901 21.228 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.338 -3.975 17.527 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.676 -4.011 19.960 1.00 0.00 H new ATOM 305 N ALA A 18 3.131 3.199 15.987 1.00 0.00 N ATOM 306 CA ALA A 18 2.870 4.625 15.675 1.00 0.00 C ATOM 307 C ALA A 18 1.489 5.077 16.212 1.00 0.00 C ATOM 308 O ALA A 18 1.247 6.274 16.387 1.00 0.00 O ATOM 309 CB ALA A 18 2.974 4.866 14.158 1.00 0.00 C ATOM 0 H ALA A 18 3.114 2.591 15.168 1.00 0.00 H new ATOM 0 HA ALA A 18 3.629 5.226 16.176 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.780 5.917 13.942 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.975 4.604 13.816 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.240 4.248 13.640 1.00 0.00 H new ATOM 315 N ALA A 19 0.589 4.103 16.451 1.00 0.00 N ATOM 316 CA ALA A 19 -0.743 4.348 17.055 1.00 0.00 C ATOM 317 C ALA A 19 -0.727 4.110 18.582 1.00 0.00 C ATOM 318 O ALA A 19 -1.597 4.614 19.294 1.00 0.00 O ATOM 319 CB ALA A 19 -1.793 3.456 16.381 1.00 0.00 C ATOM 0 H ALA A 19 0.762 3.122 16.232 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.003 5.394 16.891 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.769 3.641 16.829 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.834 3.683 15.316 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.523 2.409 16.518 1.00 0.00 H new ATOM 325 N GLY A 20 0.262 3.334 19.072 1.00 0.00 N ATOM 326 CA GLY A 20 0.401 3.027 20.510 1.00 0.00 C ATOM 327 C GLY A 20 0.075 1.576 20.866 1.00 0.00 C ATOM 328 O GLY A 20 0.089 1.212 22.047 1.00 0.00 O ATOM 0 H GLY A 20 0.980 2.906 18.488 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.422 3.247 20.822 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.255 3.687 21.078 1.00 0.00 H new ATOM 332 N GLY A 21 -0.234 0.756 19.849 1.00 0.00 N ATOM 333 CA GLY A 21 -0.477 -0.685 20.016 1.00 0.00 C ATOM 334 C GLY A 21 0.795 -1.539 19.913 1.00 0.00 C ATOM 335 O GLY A 21 1.905 -1.009 19.778 1.00 0.00 O ATOM 0 H GLY A 21 -0.323 1.075 18.884 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.942 -0.856 20.987 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.188 -1.015 19.259 1.00 0.00 H new ATOM 339 N PHE A 22 0.609 -2.873 19.942 1.00 0.00 N ATOM 340 CA PHE A 22 1.705 -3.883 19.932 1.00 0.00 C ATOM 341 C PHE A 22 1.606 -4.748 18.663 1.00 0.00 C ATOM 342 O PHE A 22 0.531 -4.836 18.077 1.00 0.00 O ATOM 343 CB PHE A 22 1.614 -4.780 21.205 1.00 0.00 C ATOM 344 CG PHE A 22 2.634 -5.926 21.257 1.00 0.00 C ATOM 345 CD1 PHE A 22 3.984 -5.666 21.493 1.00 0.00 C ATOM 346 CD2 PHE A 22 2.245 -7.254 21.057 1.00 0.00 C ATOM 347 CE1 PHE A 22 4.913 -6.690 21.512 1.00 0.00 C ATOM 348 CE2 PHE A 22 3.175 -8.279 21.081 1.00 0.00 C ATOM 349 CZ PHE A 22 4.508 -7.996 21.313 1.00 0.00 C ATOM 0 H PHE A 22 -0.319 -3.294 19.974 1.00 0.00 H new ATOM 0 HA PHE A 22 2.666 -3.368 19.934 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.748 -4.152 22.086 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.611 -5.202 21.265 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.308 -4.650 21.663 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.204 -7.483 20.881 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.956 -6.469 21.683 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.859 -9.299 20.919 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.233 -8.796 21.339 1.00 0.00 H new ATOM 359 N ALA A 23 2.737 -5.362 18.243 1.00 0.00 N ATOM 360 CA ALA A 23 2.770 -6.337 17.129 1.00 0.00 C ATOM 361 C ALA A 23 4.048 -7.193 17.157 1.00 0.00 C ATOM 362 O ALA A 23 5.062 -6.770 17.730 1.00 0.00 O ATOM 363 CB ALA A 23 2.641 -5.633 15.782 1.00 0.00 C ATOM 0 H ALA A 23 3.650 -5.195 18.666 1.00 0.00 H new ATOM 0 HA ALA A 23 1.916 -7.002 17.262 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.668 -6.372 14.981 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.696 -5.091 15.744 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.466 -4.932 15.657 1.00 0.00 H new ATOM 369 N ALA A 24 3.983 -8.389 16.518 1.00 0.00 N ATOM 370 CA ALA A 24 5.122 -9.328 16.413 1.00 0.00 C ATOM 371 C ALA A 24 4.828 -10.436 15.372 1.00 0.00 C ATOM 372 O ALA A 24 3.741 -11.026 15.385 1.00 0.00 O ATOM 373 CB ALA A 24 5.440 -9.951 17.786 1.00 0.00 C ATOM 0 H ALA A 24 3.136 -8.727 16.061 1.00 0.00 H new ATOM 0 HA ALA A 24 5.994 -8.766 16.078 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.280 -10.638 17.688 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.697 -9.162 18.493 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.568 -10.494 18.150 1.00 0.00 H new ATOM 379 N VAL A 25 5.806 -10.702 14.467 1.00 0.00 N ATOM 380 CA VAL A 25 5.708 -11.774 13.449 1.00 0.00 C ATOM 381 C VAL A 25 5.924 -13.160 14.101 1.00 0.00 C ATOM 382 O VAL A 25 7.061 -13.544 14.415 1.00 0.00 O ATOM 383 CB VAL A 25 6.746 -11.591 12.267 1.00 0.00 C ATOM 384 CG1 VAL A 25 6.586 -12.694 11.188 1.00 0.00 C ATOM 385 CG2 VAL A 25 6.638 -10.192 11.630 1.00 0.00 C ATOM 0 H VAL A 25 6.681 -10.179 14.425 1.00 0.00 H new ATOM 0 HA VAL A 25 4.705 -11.708 13.027 1.00 0.00 H new ATOM 0 HB VAL A 25 7.741 -11.689 12.702 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.315 -12.535 10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.750 -13.672 11.640 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.580 -12.652 10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.365 -10.103 10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.634 -10.050 11.231 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.839 -9.432 12.385 1.00 0.00 H new ATOM 395 N GLU A 26 4.817 -13.874 14.329 1.00 0.00 N ATOM 396 CA GLU A 26 4.824 -15.240 14.869 1.00 0.00 C ATOM 397 C GLU A 26 5.282 -16.254 13.797 1.00 0.00 C ATOM 398 O GLU A 26 6.279 -16.958 13.980 1.00 0.00 O ATOM 399 CB GLU A 26 3.408 -15.601 15.389 1.00 0.00 C ATOM 400 CG GLU A 26 2.836 -14.613 16.421 1.00 0.00 C ATOM 401 CD GLU A 26 3.744 -14.424 17.657 1.00 0.00 C ATOM 402 OE1 GLU A 26 3.889 -15.381 18.451 1.00 0.00 O ATOM 403 OE2 GLU A 26 4.327 -13.327 17.831 1.00 0.00 O ATOM 0 H GLU A 26 3.880 -13.517 14.142 1.00 0.00 H new ATOM 0 HA GLU A 26 5.532 -15.287 15.697 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.726 -15.656 14.540 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.441 -16.595 15.836 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.682 -13.646 15.941 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.858 -14.966 16.748 1.00 0.00 H new ATOM 410 N LYS A 27 4.545 -16.309 12.672 1.00 0.00 N ATOM 411 CA LYS A 27 4.817 -17.256 11.564 1.00 0.00 C ATOM 412 C LYS A 27 5.358 -16.496 10.341 1.00 0.00 C ATOM 413 O LYS A 27 4.973 -15.347 10.098 1.00 0.00 O ATOM 414 CB LYS A 27 3.526 -18.041 11.197 1.00 0.00 C ATOM 415 CG LYS A 27 3.707 -19.128 10.113 1.00 0.00 C ATOM 416 CD LYS A 27 2.408 -19.911 9.802 1.00 0.00 C ATOM 417 CE LYS A 27 2.627 -21.033 8.776 1.00 0.00 C ATOM 418 NZ LYS A 27 3.165 -20.520 7.487 1.00 0.00 N ATOM 0 H LYS A 27 3.744 -15.701 12.501 1.00 0.00 H new ATOM 0 HA LYS A 27 5.572 -17.972 11.888 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.136 -18.511 12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.772 -17.331 10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.068 -18.660 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.476 -19.829 10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.016 -20.339 10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.653 -19.221 9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.317 -21.770 9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.683 -21.546 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.745 -21.053 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.928 -19.512 7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.198 -20.636 7.472 1.00 0.00 H new ATOM 432 N LYS A 28 6.233 -17.160 9.571 1.00 0.00 N ATOM 433 CA LYS A 28 6.909 -16.576 8.399 1.00 0.00 C ATOM 434 C LYS A 28 6.895 -17.558 7.216 1.00 0.00 C ATOM 435 O LYS A 28 7.388 -18.677 7.334 1.00 0.00 O ATOM 436 CB LYS A 28 8.368 -16.199 8.780 1.00 0.00 C ATOM 437 CG LYS A 28 9.295 -15.879 7.583 1.00 0.00 C ATOM 438 CD LYS A 28 10.625 -15.221 7.995 1.00 0.00 C ATOM 439 CE LYS A 28 11.538 -14.947 6.786 1.00 0.00 C ATOM 440 NZ LYS A 28 12.719 -14.134 7.161 1.00 0.00 N ATOM 0 H LYS A 28 6.495 -18.130 9.746 1.00 0.00 H new ATOM 0 HA LYS A 28 6.375 -15.677 8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.342 -15.333 9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.803 -17.021 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.507 -16.801 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.770 -15.218 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.420 -14.284 8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.145 -15.868 8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.869 -15.894 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.971 -14.429 6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.568 -14.522 6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.577 -13.151 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.843 -14.157 8.193 1.00 0.00 H new ATOM 454 N GLY A 29 6.338 -17.123 6.078 1.00 0.00 N ATOM 455 CA GLY A 29 6.312 -17.932 4.856 1.00 0.00 C ATOM 456 C GLY A 29 7.165 -17.336 3.741 1.00 0.00 C ATOM 457 O GLY A 29 8.297 -16.895 3.999 1.00 0.00 O ATOM 0 H GLY A 29 5.897 -16.209 5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.667 -18.937 5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.283 -18.028 4.510 1.00 0.00 H new ATOM 461 N ALA A 30 6.613 -17.299 2.508 1.00 0.00 N ATOM 462 CA ALA A 30 7.321 -16.792 1.312 1.00 0.00 C ATOM 463 C ALA A 30 7.455 -15.261 1.376 1.00 0.00 C ATOM 464 O ALA A 30 6.461 -14.568 1.610 1.00 0.00 O ATOM 465 CB ALA A 30 6.586 -17.223 0.028 1.00 0.00 C ATOM 0 H ALA A 30 5.664 -17.620 2.314 1.00 0.00 H new ATOM 0 HA ALA A 30 8.322 -17.222 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.120 -16.842 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.545 -18.311 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.573 -16.821 0.037 1.00 0.00 H new ATOM 471 N GLU A 31 8.682 -14.758 1.140 1.00 0.00 N ATOM 472 CA GLU A 31 9.035 -13.341 1.340 1.00 0.00 C ATOM 473 C GLU A 31 8.149 -12.377 0.536 1.00 0.00 C ATOM 474 O GLU A 31 7.652 -11.428 1.090 1.00 0.00 O ATOM 475 CB GLU A 31 10.507 -13.076 0.971 1.00 0.00 C ATOM 476 CG GLU A 31 11.547 -13.734 1.886 1.00 0.00 C ATOM 477 CD GLU A 31 12.975 -13.337 1.487 1.00 0.00 C ATOM 478 OE1 GLU A 31 13.348 -12.160 1.701 1.00 0.00 O ATOM 479 OE2 GLU A 31 13.710 -14.170 0.918 1.00 0.00 O ATOM 0 H GLU A 31 9.459 -15.327 0.804 1.00 0.00 H new ATOM 0 HA GLU A 31 8.870 -13.150 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.675 -13.422 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.676 -11.999 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.362 -13.441 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.442 -14.818 1.838 1.00 0.00 H new ATOM 486 N ALA A 32 7.994 -12.607 -0.773 1.00 0.00 N ATOM 487 CA ALA A 32 7.297 -11.655 -1.671 1.00 0.00 C ATOM 488 C ALA A 32 5.807 -11.994 -1.866 1.00 0.00 C ATOM 489 O ALA A 32 4.942 -11.125 -1.723 1.00 0.00 O ATOM 490 CB ALA A 32 8.034 -11.570 -3.017 1.00 0.00 C ATOM 0 H ALA A 32 8.340 -13.444 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 32 7.318 -10.677 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.516 -10.869 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.055 -11.226 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.054 -12.555 -3.484 1.00 0.00 H new ATOM 496 N ALA A 33 5.514 -13.267 -2.172 1.00 0.00 N ATOM 497 CA ALA A 33 4.169 -13.709 -2.625 1.00 0.00 C ATOM 498 C ALA A 33 3.360 -14.423 -1.521 1.00 0.00 C ATOM 499 O ALA A 33 2.236 -14.878 -1.778 1.00 0.00 O ATOM 500 CB ALA A 33 4.328 -14.620 -3.852 1.00 0.00 C ATOM 0 H ALA A 33 6.195 -14.024 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 33 3.599 -12.817 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.346 -14.949 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.822 -14.069 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.929 -15.489 -3.585 1.00 0.00 H new ATOM 506 N GLY A 34 3.929 -14.500 -0.304 1.00 0.00 N ATOM 507 CA GLY A 34 3.295 -15.212 0.815 1.00 0.00 C ATOM 508 C GLY A 34 2.007 -14.552 1.326 1.00 0.00 C ATOM 509 O GLY A 34 1.896 -13.318 1.332 1.00 0.00 O ATOM 0 H GLY A 34 4.828 -14.077 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.069 -16.231 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.007 -15.281 1.638 1.00 0.00 H new ATOM 513 N ALA A 35 1.036 -15.382 1.754 1.00 0.00 N ATOM 514 CA ALA A 35 -0.224 -14.911 2.372 1.00 0.00 C ATOM 515 C ALA A 35 0.062 -14.286 3.757 1.00 0.00 C ATOM 516 O ALA A 35 1.095 -14.565 4.351 1.00 0.00 O ATOM 517 CB ALA A 35 -1.213 -16.084 2.487 1.00 0.00 C ATOM 0 H ALA A 35 1.101 -16.397 1.682 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.671 -14.142 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.140 -15.735 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.423 -16.481 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.777 -16.868 3.106 1.00 0.00 H new ATOM 523 N ILE A 36 -0.835 -13.413 4.256 1.00 0.00 N ATOM 524 CA ILE A 36 -0.675 -12.778 5.588 1.00 0.00 C ATOM 525 C ILE A 36 -1.958 -12.998 6.409 1.00 0.00 C ATOM 526 O ILE A 36 -3.063 -12.877 5.876 1.00 0.00 O ATOM 527 CB ILE A 36 -0.396 -11.221 5.515 1.00 0.00 C ATOM 528 CG1 ILE A 36 0.608 -10.834 4.381 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.109 -10.694 6.891 1.00 0.00 C ATOM 530 CD1 ILE A 36 2.022 -11.343 4.571 1.00 0.00 C ATOM 0 H ILE A 36 -1.680 -13.129 3.760 1.00 0.00 H new ATOM 0 HA ILE A 36 0.193 -13.246 6.053 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.345 -10.744 5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.226 -11.215 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.638 -9.747 4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.296 -9.622 6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.647 -10.883 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.032 -11.207 7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.640 -11.022 3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.432 -10.942 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.013 -12.432 4.619 1.00 0.00 H new ATOM 542 N PHE A 37 -1.788 -13.320 7.698 1.00 0.00 N ATOM 543 CA PHE A 37 -2.882 -13.444 8.675 1.00 0.00 C ATOM 544 C PHE A 37 -2.491 -12.702 9.958 1.00 0.00 C ATOM 545 O PHE A 37 -1.565 -13.098 10.663 1.00 0.00 O ATOM 546 CB PHE A 37 -3.212 -14.934 8.969 1.00 0.00 C ATOM 547 CG PHE A 37 -4.016 -15.609 7.859 1.00 0.00 C ATOM 548 CD1 PHE A 37 -5.408 -15.531 7.844 1.00 0.00 C ATOM 549 CD2 PHE A 37 -3.383 -16.300 6.833 1.00 0.00 C ATOM 550 CE1 PHE A 37 -6.138 -16.118 6.831 1.00 0.00 C ATOM 551 CE2 PHE A 37 -4.112 -16.883 5.822 1.00 0.00 C ATOM 552 CZ PHE A 37 -5.490 -16.799 5.823 1.00 0.00 C ATOM 0 H PHE A 37 -0.869 -13.506 8.100 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.784 -12.996 8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.281 -15.482 9.118 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.772 -14.997 9.902 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.921 -15.005 8.635 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.306 -16.380 6.829 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.215 -16.044 6.828 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.605 -17.408 5.026 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.060 -17.267 5.034 1.00 0.00 H new ATOM 562 N VAL A 38 -3.210 -11.616 10.242 1.00 0.00 N ATOM 563 CA VAL A 38 -2.955 -10.744 11.394 1.00 0.00 C ATOM 564 C VAL A 38 -4.119 -10.855 12.380 1.00 0.00 C ATOM 565 O VAL A 38 -5.274 -10.732 11.978 1.00 0.00 O ATOM 566 CB VAL A 38 -2.772 -9.253 10.915 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.587 -8.282 12.098 1.00 0.00 C ATOM 568 CG2 VAL A 38 -1.580 -9.142 9.942 1.00 0.00 C ATOM 0 H VAL A 38 -3.998 -11.311 9.671 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.037 -11.056 11.892 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.687 -8.966 10.396 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.465 -7.267 11.720 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.463 -8.325 12.745 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.702 -8.566 12.667 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.468 -8.106 9.621 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.669 -9.467 10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.760 -9.774 9.072 1.00 0.00 H new ATOM 578 N ARG A 39 -3.824 -11.089 13.671 1.00 0.00 N ATOM 579 CA ARG A 39 -4.868 -11.183 14.704 1.00 0.00 C ATOM 580 C ARG A 39 -4.816 -9.905 15.562 1.00 0.00 C ATOM 581 O ARG A 39 -3.745 -9.515 16.022 1.00 0.00 O ATOM 582 CB ARG A 39 -4.712 -12.488 15.571 1.00 0.00 C ATOM 583 CG ARG A 39 -3.617 -12.466 16.660 1.00 0.00 C ATOM 584 CD ARG A 39 -3.595 -13.726 17.549 1.00 0.00 C ATOM 585 NE ARG A 39 -2.967 -14.889 16.881 1.00 0.00 N ATOM 586 CZ ARG A 39 -1.768 -15.414 17.213 1.00 0.00 C ATOM 587 NH1 ARG A 39 -1.034 -14.867 18.178 1.00 0.00 N ATOM 588 NH2 ARG A 39 -1.315 -16.487 16.583 1.00 0.00 N ATOM 0 H ARG A 39 -2.875 -11.216 14.022 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.848 -11.258 14.232 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.668 -12.694 16.053 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.508 -13.322 14.899 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.644 -12.354 16.181 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.764 -11.590 17.292 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.054 -13.506 18.470 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.616 -13.983 17.832 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.478 -15.326 16.114 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.376 -14.044 18.674 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.130 -15.271 18.422 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.872 -16.918 15.845 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.409 -16.882 16.835 1.00 0.00 H new ATOM 602 N GLN A 40 -5.964 -9.211 15.705 1.00 0.00 N ATOM 603 CA GLN A 40 -6.058 -7.991 16.535 1.00 0.00 C ATOM 604 C GLN A 40 -6.638 -8.330 17.908 1.00 0.00 C ATOM 605 O GLN A 40 -7.809 -8.695 18.010 1.00 0.00 O ATOM 606 CB GLN A 40 -6.950 -6.918 15.872 1.00 0.00 C ATOM 607 CG GLN A 40 -7.088 -5.630 16.712 1.00 0.00 C ATOM 608 CD GLN A 40 -8.217 -4.710 16.273 1.00 0.00 C ATOM 609 OE1 GLN A 40 -8.594 -4.675 15.120 1.00 0.00 O ATOM 610 NE2 GLN A 40 -8.748 -3.951 17.203 1.00 0.00 N ATOM 0 H GLN A 40 -6.841 -9.475 15.256 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.049 -7.593 16.639 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.535 -6.664 14.896 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.941 -7.337 15.698 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.246 -5.906 17.755 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.149 -5.079 16.667 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.407 -4.006 18.163 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.502 -3.306 16.966 1.00 0.00 H new ATOM 619 N ARG A 41 -5.839 -8.159 18.957 1.00 0.00 N ATOM 620 CA ARG A 41 -6.269 -8.457 20.321 1.00 0.00 C ATOM 621 C ARG A 41 -6.933 -7.217 20.951 1.00 0.00 C ATOM 622 O ARG A 41 -6.279 -6.184 21.146 1.00 0.00 O ATOM 623 CB ARG A 41 -5.067 -8.936 21.165 1.00 0.00 C ATOM 624 CG ARG A 41 -5.480 -9.642 22.476 1.00 0.00 C ATOM 625 CD ARG A 41 -4.342 -10.431 23.150 1.00 0.00 C ATOM 626 NE ARG A 41 -4.883 -11.373 24.150 1.00 0.00 N ATOM 627 CZ ARG A 41 -4.227 -11.859 25.210 1.00 0.00 C ATOM 628 NH1 ARG A 41 -3.000 -11.453 25.507 1.00 0.00 N ATOM 629 NH2 ARG A 41 -4.819 -12.754 25.987 1.00 0.00 N ATOM 0 H ARG A 41 -4.882 -7.813 18.888 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.006 -9.260 20.296 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.463 -9.619 20.568 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.437 -8.080 21.405 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.854 -8.895 23.176 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.305 -10.323 22.265 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.776 -10.978 22.396 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.649 -9.741 23.631 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.846 -11.682 24.021 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.538 -10.757 24.922 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.519 -11.837 26.320 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.766 -13.067 25.775 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.327 -13.131 26.797 1.00 0.00 H new ATOM 643 N LEU A 42 -8.242 -7.338 21.216 1.00 0.00 N ATOM 644 CA LEU A 42 -9.045 -6.317 21.915 1.00 0.00 C ATOM 645 C LEU A 42 -8.737 -6.313 23.427 1.00 0.00 C ATOM 646 O LEU A 42 -8.322 -7.334 23.987 1.00 0.00 O ATOM 647 CB LEU A 42 -10.575 -6.573 21.724 1.00 0.00 C ATOM 648 CG LEU A 42 -11.135 -6.601 20.261 1.00 0.00 C ATOM 649 CD1 LEU A 42 -10.496 -5.511 19.380 1.00 0.00 C ATOM 650 CD2 LEU A 42 -11.022 -7.999 19.615 1.00 0.00 C ATOM 0 H LEU A 42 -8.783 -8.160 20.948 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.780 -5.353 21.481 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.816 -7.527 22.193 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.115 -5.802 22.274 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.199 -6.375 20.332 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.912 -5.566 18.374 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.705 -4.530 19.806 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.418 -5.665 19.335 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.423 -7.965 18.602 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.975 -8.300 19.580 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.588 -8.720 20.206 1.00 0.00 H new ATOM 662 N ARG A 43 -9.024 -5.167 24.086 1.00 0.00 N ATOM 663 CA ARG A 43 -8.923 -5.026 25.564 1.00 0.00 C ATOM 664 C ARG A 43 -9.963 -5.906 26.299 1.00 0.00 C ATOM 665 O ARG A 43 -9.869 -6.118 27.514 1.00 0.00 O ATOM 666 CB ARG A 43 -9.023 -3.525 26.004 1.00 0.00 C ATOM 667 CG ARG A 43 -10.164 -2.658 25.380 1.00 0.00 C ATOM 668 CD ARG A 43 -11.605 -3.077 25.768 1.00 0.00 C ATOM 669 NE ARG A 43 -11.785 -3.218 27.229 1.00 0.00 N ATOM 670 CZ ARG A 43 -12.854 -3.774 27.833 1.00 0.00 C ATOM 671 NH1 ARG A 43 -13.889 -4.220 27.133 1.00 0.00 N ATOM 672 NH2 ARG A 43 -12.874 -3.884 29.149 1.00 0.00 N ATOM 0 H ARG A 43 -9.331 -4.316 23.615 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.937 -5.387 25.856 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.138 -3.500 27.088 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.072 -3.044 25.773 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.013 -1.620 25.678 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.073 -2.695 24.294 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.309 -2.336 25.389 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.847 -4.023 25.283 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.039 -2.866 27.829 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.887 -4.146 26.116 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.687 -4.637 27.612 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.084 -3.549 29.701 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.679 -4.304 29.614 1.00 0.00 H new ATOM 686 N ASP A 44 -10.956 -6.386 25.532 1.00 0.00 N ATOM 687 CA ASP A 44 -12.000 -7.310 25.998 1.00 0.00 C ATOM 688 C ASP A 44 -11.417 -8.687 26.372 1.00 0.00 C ATOM 689 O ASP A 44 -12.070 -9.467 27.064 1.00 0.00 O ATOM 690 CB ASP A 44 -13.075 -7.495 24.889 1.00 0.00 C ATOM 691 CG ASP A 44 -13.770 -6.182 24.492 1.00 0.00 C ATOM 692 OD1 ASP A 44 -13.178 -5.393 23.720 1.00 0.00 O ATOM 693 OD2 ASP A 44 -14.907 -5.930 24.947 1.00 0.00 O ATOM 0 H ASP A 44 -11.056 -6.136 24.548 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.450 -6.875 26.890 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.606 -7.931 24.007 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.826 -8.205 25.235 1.00 0.00 H new ATOM 698 N GLY A 45 -10.183 -8.974 25.913 1.00 0.00 N ATOM 699 CA GLY A 45 -9.599 -10.312 26.020 1.00 0.00 C ATOM 700 C GLY A 45 -10.060 -11.190 24.878 1.00 0.00 C ATOM 701 O GLY A 45 -10.241 -12.397 25.033 1.00 0.00 O ATOM 0 H GLY A 45 -9.575 -8.289 25.464 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.511 -10.241 26.014 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.884 -10.764 26.970 1.00 0.00 H new ATOM 705 N ARG A 46 -10.284 -10.541 23.732 1.00 0.00 N ATOM 706 CA ARG A 46 -10.744 -11.178 22.495 1.00 0.00 C ATOM 707 C ARG A 46 -9.767 -10.853 21.368 1.00 0.00 C ATOM 708 O ARG A 46 -8.868 -10.038 21.540 1.00 0.00 O ATOM 709 CB ARG A 46 -12.181 -10.702 22.136 1.00 0.00 C ATOM 710 CG ARG A 46 -13.290 -11.207 23.086 1.00 0.00 C ATOM 711 CD ARG A 46 -13.302 -12.744 23.206 1.00 0.00 C ATOM 712 NE ARG A 46 -14.567 -13.266 23.763 1.00 0.00 N ATOM 713 CZ ARG A 46 -15.080 -14.488 23.500 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.431 -15.342 22.709 1.00 0.00 N ATOM 715 NH2 ARG A 46 -16.244 -14.839 24.029 1.00 0.00 N ATOM 0 H ARG A 46 -10.147 -9.535 23.636 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.778 -12.258 22.637 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.196 -9.612 22.130 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.414 -11.029 21.123 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.147 -10.769 24.074 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.259 -10.865 22.723 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.136 -13.182 22.222 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.474 -13.061 23.840 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.092 -12.659 24.393 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.538 -15.076 22.295 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.828 -16.262 22.517 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.748 -14.188 24.631 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.636 -15.760 23.834 1.00 0.00 H new ATOM 729 N GLU A 47 -9.945 -11.519 20.220 1.00 0.00 N ATOM 730 CA GLU A 47 -9.056 -11.404 19.055 1.00 0.00 C ATOM 731 C GLU A 47 -9.885 -11.278 17.765 1.00 0.00 C ATOM 732 O GLU A 47 -11.061 -11.647 17.710 1.00 0.00 O ATOM 733 CB GLU A 47 -8.078 -12.620 18.920 1.00 0.00 C ATOM 734 CG GLU A 47 -6.967 -12.743 19.999 1.00 0.00 C ATOM 735 CD GLU A 47 -7.446 -13.174 21.402 1.00 0.00 C ATOM 736 OE1 GLU A 47 -8.247 -14.113 21.505 1.00 0.00 O ATOM 737 OE2 GLU A 47 -7.013 -12.584 22.414 1.00 0.00 O ATOM 0 H GLU A 47 -10.722 -12.163 20.071 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.454 -10.508 19.208 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.669 -13.536 18.934 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.599 -12.565 17.943 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.225 -13.462 19.651 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.462 -11.781 20.087 1.00 0.00 H new ATOM 744 N ASN A 48 -9.233 -10.735 16.743 1.00 0.00 N ATOM 745 CA ASN A 48 -9.717 -10.704 15.354 1.00 0.00 C ATOM 746 C ASN A 48 -8.787 -11.573 14.503 1.00 0.00 C ATOM 747 O ASN A 48 -7.788 -12.072 15.005 1.00 0.00 O ATOM 748 CB ASN A 48 -9.708 -9.265 14.792 1.00 0.00 C ATOM 749 CG ASN A 48 -10.691 -8.304 15.456 1.00 0.00 C ATOM 750 OD1 ASN A 48 -10.295 -7.708 16.560 1.00 0.00 O flip ATOM 751 ND2 ASN A 48 -11.802 -8.108 14.981 1.00 0.00 N flip ATOM 0 H ASN A 48 -8.323 -10.288 16.855 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.741 -11.077 15.327 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.702 -8.858 14.893 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.929 -9.307 13.725 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.081 -8.584 14.123 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.448 -7.468 15.443 1.00 0.00 H new ATOM 758 N LEU A 49 -9.124 -11.759 13.228 1.00 0.00 N ATOM 759 CA LEU A 49 -8.229 -12.389 12.246 1.00 0.00 C ATOM 760 C LEU A 49 -8.419 -11.678 10.921 1.00 0.00 C ATOM 761 O LEU A 49 -9.547 -11.364 10.555 1.00 0.00 O ATOM 762 CB LEU A 49 -8.506 -13.905 12.104 1.00 0.00 C ATOM 763 CG LEU A 49 -7.479 -14.736 11.262 1.00 0.00 C ATOM 764 CD1 LEU A 49 -6.013 -14.416 11.651 1.00 0.00 C ATOM 765 CD2 LEU A 49 -7.756 -16.251 11.408 1.00 0.00 C ATOM 0 H LEU A 49 -10.025 -11.478 12.842 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.197 -12.296 12.583 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.553 -14.337 13.104 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.492 -14.029 11.656 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.610 -14.449 10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.336 -15.015 11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.814 -13.358 11.481 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.857 -14.650 12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.033 -16.812 10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.668 -16.538 12.456 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.763 -16.472 11.055 1.00 0.00 H new ATOM 777 N TYR A 50 -7.312 -11.400 10.222 1.00 0.00 N ATOM 778 CA TYR A 50 -7.327 -10.649 8.965 1.00 0.00 C ATOM 779 C TYR A 50 -6.487 -11.385 7.928 1.00 0.00 C ATOM 780 O TYR A 50 -5.282 -11.523 8.099 1.00 0.00 O ATOM 781 CB TYR A 50 -6.788 -9.212 9.195 1.00 0.00 C ATOM 782 CG TYR A 50 -7.579 -8.431 10.254 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.937 -8.163 10.074 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.986 -7.983 11.433 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.665 -7.470 11.015 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.718 -7.291 12.375 1.00 0.00 C ATOM 787 CZ TYR A 50 -9.056 -7.038 12.160 1.00 0.00 C ATOM 788 OH TYR A 50 -9.786 -6.334 13.094 1.00 0.00 O ATOM 0 H TYR A 50 -6.379 -11.691 10.515 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.350 -10.570 8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.743 -9.267 9.499 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.817 -8.665 8.253 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.428 -8.507 9.176 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.939 -8.180 11.611 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.713 -7.269 10.849 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.243 -6.947 13.282 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.178 -5.816 13.662 1.00 0.00 H new ATOM 798 N GLY A 51 -7.135 -11.824 6.842 1.00 0.00 N ATOM 799 CA GLY A 51 -6.479 -12.623 5.804 1.00 0.00 C ATOM 800 C GLY A 51 -6.276 -11.846 4.519 1.00 0.00 C ATOM 801 O GLY A 51 -6.667 -10.676 4.450 1.00 0.00 O ATOM 0 H GLY A 51 -8.121 -11.636 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.513 -12.970 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.079 -13.510 5.598 1.00 0.00 H new ATOM 805 N PRO A 52 -5.665 -12.472 3.470 1.00 0.00 N ATOM 806 CA PRO A 52 -5.517 -11.839 2.152 1.00 0.00 C ATOM 807 C PRO A 52 -6.882 -11.799 1.452 1.00 0.00 C ATOM 808 O PRO A 52 -7.425 -12.856 1.100 1.00 0.00 O ATOM 809 CB PRO A 52 -4.495 -12.752 1.400 1.00 0.00 C ATOM 810 CG PRO A 52 -4.009 -13.737 2.428 1.00 0.00 C ATOM 811 CD PRO A 52 -5.100 -13.841 3.465 1.00 0.00 C ATOM 0 HA PRO A 52 -5.166 -10.808 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.967 -13.261 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.669 -12.167 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.811 -14.708 1.973 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.075 -13.400 2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.847 -14.588 3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.707 -14.122 4.442 1.00 0.00 H new ATOM 819 N ALA A 53 -7.433 -10.582 1.299 1.00 0.00 N ATOM 820 CA ALA A 53 -8.762 -10.366 0.700 1.00 0.00 C ATOM 821 C ALA A 53 -8.864 -10.969 -0.719 1.00 0.00 C ATOM 822 O ALA A 53 -7.839 -11.061 -1.414 1.00 0.00 O ATOM 823 CB ALA A 53 -9.079 -8.866 0.657 1.00 0.00 C ATOM 0 H ALA A 53 -6.969 -9.720 1.587 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.492 -10.878 1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.063 -8.715 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.072 -8.464 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.327 -8.352 0.057 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.667 -3.494 -4.222 1.00 0.00 N ATOM 1023 CA GLU A 67 -0.676 -3.718 -2.769 1.00 0.00 C ATOM 1024 C GLU A 67 -1.892 -4.581 -2.378 1.00 0.00 C ATOM 1025 O GLU A 67 -3.007 -4.355 -2.867 1.00 0.00 O ATOM 1026 CB GLU A 67 -0.681 -2.374 -1.992 1.00 0.00 C ATOM 1027 CG GLU A 67 -0.822 -2.525 -0.453 1.00 0.00 C ATOM 1028 CD GLU A 67 -0.577 -1.227 0.334 1.00 0.00 C ATOM 1029 OE1 GLU A 67 -1.057 -0.150 -0.087 1.00 0.00 O ATOM 1030 OE2 GLU A 67 0.115 -1.264 1.372 1.00 0.00 O ATOM 0 HA GLU A 67 0.236 -4.250 -2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.243 -1.839 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.501 -1.758 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.823 -2.891 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.120 -3.284 -0.108 1.00 0.00 H new ATOM 1037 N ARG A 68 -1.650 -5.573 -1.509 1.00 0.00 N ATOM 1038 CA ARG A 68 -2.683 -6.504 -1.038 1.00 0.00 C ATOM 1039 C ARG A 68 -3.449 -5.894 0.155 1.00 0.00 C ATOM 1040 O ARG A 68 -2.852 -5.492 1.166 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.041 -7.875 -0.671 1.00 0.00 C ATOM 1042 CG ARG A 68 -0.951 -7.830 0.432 1.00 0.00 C ATOM 1043 CD ARG A 68 -0.107 -9.115 0.480 1.00 0.00 C ATOM 1044 NE ARG A 68 0.621 -9.326 -0.790 1.00 0.00 N ATOM 1045 CZ ARG A 68 1.687 -10.120 -0.947 1.00 0.00 C ATOM 1046 NH1 ARG A 68 2.128 -10.860 0.050 1.00 0.00 N ATOM 1047 NH2 ARG A 68 2.296 -10.184 -2.115 1.00 0.00 N ATOM 0 H ARG A 68 -0.728 -5.752 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.403 -6.677 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.832 -8.552 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.603 -8.304 -1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.297 -6.976 0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.426 -7.675 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.604 -9.055 1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.753 -9.970 0.678 1.00 0.00 H new ATOM 0 HE ARG A 68 0.283 -8.826 -1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.656 -10.832 0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.941 -11.461 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.955 -9.628 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.108 -10.789 -2.234 1.00 0.00 H new ATOM 1061 N ARG A 69 -4.774 -5.790 0.001 1.00 0.00 N ATOM 1062 CA ARG A 69 -5.679 -5.314 1.047 1.00 0.00 C ATOM 1063 C ARG A 69 -6.208 -6.549 1.799 1.00 0.00 C ATOM 1064 O ARG A 69 -6.246 -7.654 1.235 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.803 -4.480 0.374 1.00 0.00 C ATOM 1066 CG ARG A 69 -7.717 -3.671 1.322 1.00 0.00 C ATOM 1067 CD ARG A 69 -8.635 -2.700 0.540 1.00 0.00 C ATOM 1068 NE ARG A 69 -9.566 -1.958 1.410 1.00 0.00 N ATOM 1069 CZ ARG A 69 -10.496 -1.079 0.990 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -10.622 -0.773 -0.298 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -11.296 -0.507 1.877 1.00 0.00 N ATOM 0 H ARG A 69 -5.251 -6.038 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.186 -4.666 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.341 -3.787 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.428 -5.156 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.328 -4.355 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.104 -3.106 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.018 -1.990 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.207 -3.264 -0.197 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.500 -2.124 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.008 -1.207 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.333 -0.105 -0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.204 -0.734 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.004 0.160 1.570 1.00 0.00 H new ATOM 1085 N PHE A 70 -6.584 -6.382 3.071 1.00 0.00 N ATOM 1086 CA PHE A 70 -6.978 -7.513 3.942 1.00 0.00 C ATOM 1087 C PHE A 70 -8.496 -7.621 4.042 1.00 0.00 C ATOM 1088 O PHE A 70 -9.214 -6.793 3.505 1.00 0.00 O ATOM 1089 CB PHE A 70 -6.349 -7.353 5.354 1.00 0.00 C ATOM 1090 CG PHE A 70 -4.853 -7.652 5.424 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -3.956 -7.030 4.559 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -4.349 -8.547 6.365 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -2.612 -7.295 4.631 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -3.002 -8.808 6.435 1.00 0.00 C ATOM 1095 CZ PHE A 70 -2.134 -8.178 5.568 1.00 0.00 C ATOM 0 H PHE A 70 -6.626 -5.472 3.530 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.603 -8.434 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.518 -6.333 5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.871 -8.014 6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.323 -6.330 3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.025 -9.041 7.047 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.929 -6.809 3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.623 -9.505 7.168 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.075 -8.380 5.626 1.00 0.00 H new ATOM 1105 N GLU A 71 -8.954 -8.687 4.700 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.377 -8.953 4.968 1.00 0.00 C ATOM 1107 C GLU A 71 -10.519 -9.409 6.423 1.00 0.00 C ATOM 1108 O GLU A 71 -9.596 -10.024 6.970 1.00 0.00 O ATOM 1109 CB GLU A 71 -10.911 -10.055 4.011 1.00 0.00 C ATOM 1110 CG GLU A 71 -10.195 -11.422 4.147 1.00 0.00 C ATOM 1111 CD GLU A 71 -10.755 -12.536 3.248 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -11.978 -12.561 2.992 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -9.976 -13.418 2.826 1.00 0.00 O ATOM 0 H GLU A 71 -8.336 -9.408 5.072 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.959 -8.047 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.976 -10.196 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.810 -9.707 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.138 -11.287 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.257 -11.747 5.186 1.00 0.00 H new ATOM 1120 N THR A 72 -11.662 -9.114 7.048 1.00 0.00 N ATOM 1121 CA THR A 72 -11.932 -9.539 8.424 1.00 0.00 C ATOM 1122 C THR A 72 -12.457 -10.996 8.417 1.00 0.00 C ATOM 1123 O THR A 72 -13.618 -11.241 8.068 1.00 0.00 O ATOM 1124 CB THR A 72 -12.948 -8.571 9.114 1.00 0.00 C ATOM 1125 OG1 THR A 72 -12.497 -7.219 8.944 1.00 0.00 O ATOM 1126 CG2 THR A 72 -13.108 -8.862 10.620 1.00 0.00 C ATOM 0 H THR A 72 -12.419 -8.580 6.620 1.00 0.00 H new ATOM 0 HA THR A 72 -11.008 -9.503 9.001 1.00 0.00 H new ATOM 0 HB THR A 72 -13.919 -8.723 8.643 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.273 -6.836 9.818 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.824 -8.163 11.052 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.469 -9.881 10.757 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.145 -8.748 11.117 1.00 0.00 H new ATOM 1134 N ARG A 73 -11.568 -11.959 8.745 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.891 -13.400 8.773 1.00 0.00 C ATOM 1136 C ARG A 73 -12.703 -13.723 10.033 1.00 0.00 C ATOM 1137 O ARG A 73 -13.742 -14.388 9.977 1.00 0.00 O ATOM 1138 CB ARG A 73 -10.580 -14.238 8.758 1.00 0.00 C ATOM 1139 CG ARG A 73 -9.660 -13.967 7.551 1.00 0.00 C ATOM 1140 CD ARG A 73 -10.212 -14.504 6.216 1.00 0.00 C ATOM 1141 NE ARG A 73 -10.091 -15.972 6.099 1.00 0.00 N ATOM 1142 CZ ARG A 73 -9.423 -16.620 5.124 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -8.938 -15.960 4.076 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -9.290 -17.939 5.183 1.00 0.00 N ATOM 0 H ARG A 73 -10.601 -11.756 8.999 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.482 -13.651 7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.025 -14.036 9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.840 -15.296 8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.500 -12.892 7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.686 -14.419 7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.260 -14.221 6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.678 -14.032 5.391 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.549 -16.540 6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.070 -14.951 4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.434 -16.463 3.345 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.692 -18.458 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.785 -18.434 4.448 1.00 0.00 H new ATOM 1158 N LEU A 74 -12.190 -13.235 11.170 1.00 0.00 N ATOM 1159 CA LEU A 74 -12.794 -13.410 12.506 1.00 0.00 C ATOM 1160 C LEU A 74 -12.776 -12.057 13.240 1.00 0.00 C ATOM 1161 O LEU A 74 -11.965 -11.184 12.908 1.00 0.00 O ATOM 1162 CB LEU A 74 -12.006 -14.481 13.313 1.00 0.00 C ATOM 1163 CG LEU A 74 -12.002 -15.936 12.727 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -11.014 -16.852 13.478 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -13.422 -16.548 12.739 1.00 0.00 C ATOM 0 H LEU A 74 -11.325 -12.695 11.192 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.824 -13.753 12.405 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.972 -14.147 13.404 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.419 -14.520 14.321 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.668 -15.862 11.692 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.041 -17.851 13.042 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.006 -16.446 13.394 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.296 -16.907 14.529 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.387 -17.557 12.327 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.793 -16.587 13.763 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.089 -15.932 12.135 1.00 0.00 H new ATOM 1177 N ALA A 75 -13.675 -11.884 14.225 1.00 0.00 N ATOM 1178 CA ALA A 75 -13.790 -10.637 15.002 1.00 0.00 C ATOM 1179 C ALA A 75 -14.425 -10.909 16.370 1.00 0.00 C ATOM 1180 O ALA A 75 -15.489 -11.536 16.444 1.00 0.00 O ATOM 1181 CB ALA A 75 -14.593 -9.577 14.222 1.00 0.00 C ATOM 0 H ALA A 75 -14.342 -12.604 14.505 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.787 -10.244 15.166 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.665 -8.665 14.815 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.089 -9.359 13.281 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.594 -9.957 14.018 1.00 0.00 H new ATOM 1187 N GLY A 76 -13.746 -10.447 17.444 1.00 0.00 N ATOM 1188 CA GLY A 76 -14.240 -10.590 18.824 1.00 0.00 C ATOM 1189 C GLY A 76 -14.319 -12.037 19.306 1.00 0.00 C ATOM 1190 O GLY A 76 -15.108 -12.374 20.190 1.00 0.00 O ATOM 0 H GLY A 76 -12.848 -9.969 17.376 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.587 -10.030 19.493 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.230 -10.140 18.894 1.00 0.00 H new ATOM 1194 N VAL A 77 -13.482 -12.891 18.719 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.426 -14.332 19.018 1.00 0.00 C ATOM 1196 C VAL A 77 -12.239 -14.615 19.950 1.00 0.00 C ATOM 1197 O VAL A 77 -11.686 -13.701 20.545 1.00 0.00 O ATOM 1198 CB VAL A 77 -13.319 -15.172 17.693 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.561 -14.962 16.789 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -12.014 -14.845 16.931 1.00 0.00 C ATOM 0 H VAL A 77 -12.809 -12.602 18.009 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.346 -14.630 19.521 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.289 -16.225 17.972 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.455 -15.557 15.882 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.458 -15.274 17.325 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.644 -13.908 16.524 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.966 -15.440 16.019 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.998 -13.786 16.674 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.156 -15.078 17.562 1.00 0.00 H new ATOM 1210 N GLU A 78 -11.888 -15.889 20.117 1.00 0.00 N ATOM 1211 CA GLU A 78 -10.735 -16.309 20.929 1.00 0.00 C ATOM 1212 C GLU A 78 -9.577 -16.759 20.025 1.00 0.00 C ATOM 1213 O GLU A 78 -9.784 -17.089 18.851 1.00 0.00 O ATOM 1214 CB GLU A 78 -11.129 -17.430 21.943 1.00 0.00 C ATOM 1215 CG GLU A 78 -12.064 -18.545 21.413 1.00 0.00 C ATOM 1216 CD GLU A 78 -13.565 -18.175 21.456 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -14.207 -18.366 22.511 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -14.101 -17.655 20.458 1.00 0.00 O ATOM 0 H GLU A 78 -12.394 -16.666 19.693 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.401 -15.450 21.511 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.214 -17.897 22.308 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.611 -16.960 22.801 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.787 -18.780 20.385 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.905 -19.449 22.001 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.358 -16.771 20.608 1.00 0.00 N ATOM 1226 CA GLY A 79 -7.143 -17.245 19.936 1.00 0.00 C ATOM 1227 C GLY A 79 -7.195 -18.727 19.592 1.00 0.00 C ATOM 1228 O GLY A 79 -6.404 -19.211 18.779 1.00 0.00 O ATOM 0 H GLY A 79 -8.196 -16.449 21.562 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.992 -16.670 19.022 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.282 -17.056 20.577 1.00 0.00 H new ATOM 1232 N GLU A 80 -8.137 -19.436 20.235 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.475 -20.825 19.911 1.00 0.00 C ATOM 1234 C GLU A 80 -9.106 -20.913 18.502 1.00 0.00 C ATOM 1235 O GLU A 80 -8.781 -21.817 17.727 1.00 0.00 O ATOM 1236 CB GLU A 80 -9.440 -21.381 20.990 1.00 0.00 C ATOM 1237 CG GLU A 80 -9.690 -22.902 20.928 1.00 0.00 C ATOM 1238 CD GLU A 80 -10.587 -23.414 22.066 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -10.127 -23.426 23.233 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -11.741 -23.816 21.801 1.00 0.00 O ATOM 0 H GLU A 80 -8.689 -19.053 21.002 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.568 -21.429 19.905 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.040 -21.135 21.974 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.397 -20.868 20.897 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.150 -23.149 19.972 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.733 -23.423 20.965 1.00 0.00 H new ATOM 1247 N GLU A 81 -9.998 -19.947 18.187 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.643 -19.830 16.859 1.00 0.00 C ATOM 1249 C GLU A 81 -9.640 -19.361 15.795 1.00 0.00 C ATOM 1250 O GLU A 81 -9.698 -19.808 14.638 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.845 -18.850 16.910 1.00 0.00 C ATOM 1252 CG GLU A 81 -13.001 -19.297 17.819 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.543 -20.698 17.482 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -14.258 -20.844 16.464 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -13.264 -21.661 18.229 1.00 0.00 O ATOM 0 H GLU A 81 -10.291 -19.226 18.846 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.006 -20.821 16.586 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.489 -17.877 17.250 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.228 -18.714 15.899 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.662 -19.287 18.855 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.813 -18.574 17.742 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.733 -18.448 16.197 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.678 -17.930 15.307 1.00 0.00 C ATOM 1264 C ILE A 82 -6.779 -19.093 14.856 1.00 0.00 C ATOM 1265 O ILE A 82 -6.634 -19.347 13.661 1.00 0.00 O ATOM 1266 CB ILE A 82 -6.801 -16.813 16.000 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -7.693 -15.702 16.636 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -5.789 -16.199 15.002 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.637 -15.007 15.680 1.00 0.00 C ATOM 0 H ILE A 82 -8.712 -18.053 17.137 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.165 -17.470 14.447 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.239 -17.290 16.803 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.279 -16.146 17.441 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.044 -14.953 17.089 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.199 -15.434 15.506 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.127 -16.980 14.629 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.328 -15.751 14.167 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.211 -14.254 16.219 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.064 -14.527 14.887 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -9.317 -15.739 15.244 1.00 0.00 H new ATOM 1281 N ALA A 83 -6.257 -19.834 15.850 1.00 0.00 N ATOM 1282 CA ALA A 83 -5.385 -21.008 15.637 1.00 0.00 C ATOM 1283 C ALA A 83 -6.106 -22.124 14.857 1.00 0.00 C ATOM 1284 O ALA A 83 -5.473 -22.858 14.087 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.897 -21.543 16.986 1.00 0.00 C ATOM 0 H ALA A 83 -6.429 -19.634 16.835 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.533 -20.686 15.039 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.255 -22.408 16.823 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.335 -20.766 17.504 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.754 -21.836 17.593 1.00 0.00 H new ATOM 1291 N ALA A 84 -7.434 -22.225 15.070 1.00 0.00 N ATOM 1292 CA ALA A 84 -8.290 -23.222 14.403 1.00 0.00 C ATOM 1293 C ALA A 84 -8.268 -23.053 12.878 1.00 0.00 C ATOM 1294 O ALA A 84 -8.258 -24.044 12.149 1.00 0.00 O ATOM 1295 CB ALA A 84 -9.726 -23.131 14.921 1.00 0.00 C ATOM 0 H ALA A 84 -7.942 -21.615 15.711 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.889 -24.208 14.639 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.343 -23.875 14.417 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.738 -23.318 15.995 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.122 -22.135 14.721 1.00 0.00 H new ATOM 1301 N LEU A 85 -8.271 -21.788 12.405 1.00 0.00 N ATOM 1302 CA LEU A 85 -8.155 -21.495 10.970 1.00 0.00 C ATOM 1303 C LEU A 85 -6.687 -21.539 10.509 1.00 0.00 C ATOM 1304 O LEU A 85 -6.395 -22.082 9.449 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.744 -20.120 10.582 1.00 0.00 C ATOM 1306 CG LEU A 85 -8.719 -19.855 9.026 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -10.097 -19.977 8.385 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -8.002 -18.544 8.665 1.00 0.00 C ATOM 0 H LEU A 85 -8.352 -20.961 12.997 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.734 -22.271 10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.772 -20.057 10.939 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.182 -19.335 11.088 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.120 -20.654 8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.019 -19.785 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.485 -20.983 8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.774 -19.251 8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.013 -18.409 7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.513 -17.707 9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.971 -18.585 9.015 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.778 -20.931 11.305 1.00 0.00 N ATOM 1321 CA LEU A 86 -4.333 -20.838 10.965 1.00 0.00 C ATOM 1322 C LEU A 86 -3.733 -22.221 10.651 1.00 0.00 C ATOM 1323 O LEU A 86 -2.859 -22.337 9.791 1.00 0.00 O ATOM 1324 CB LEU A 86 -3.515 -20.164 12.106 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.832 -18.663 12.403 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -2.942 -18.116 13.544 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -3.715 -17.792 11.133 1.00 0.00 C ATOM 0 H LEU A 86 -6.019 -20.493 12.194 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.266 -20.216 10.072 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.675 -20.733 13.022 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.456 -20.246 11.860 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.868 -18.611 12.737 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.187 -17.070 13.727 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.118 -18.694 14.451 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.893 -18.199 13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.943 -16.755 11.381 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.700 -17.857 10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.419 -18.149 10.381 1.00 0.00 H new ATOM 1339 N GLU A 87 -4.244 -23.258 11.346 1.00 0.00 N ATOM 1340 CA GLU A 87 -3.785 -24.650 11.177 1.00 0.00 C ATOM 1341 C GLU A 87 -4.295 -25.231 9.842 1.00 0.00 C ATOM 1342 O GLU A 87 -3.613 -26.052 9.212 1.00 0.00 O ATOM 1343 CB GLU A 87 -4.224 -25.524 12.397 1.00 0.00 C ATOM 1344 CG GLU A 87 -5.707 -25.993 12.433 1.00 0.00 C ATOM 1345 CD GLU A 87 -5.983 -27.356 11.762 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -5.081 -28.225 11.748 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -7.115 -27.584 11.282 1.00 0.00 O ATOM 0 H GLU A 87 -4.985 -23.153 12.039 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.696 -24.659 11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.588 -26.409 12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.025 -24.959 13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.029 -26.046 13.473 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.322 -25.236 11.947 1.00 0.00 H new ATOM 1354 N ARG A 88 -5.500 -24.782 9.418 1.00 0.00 N ATOM 1355 CA ARG A 88 -6.129 -25.241 8.175 1.00 0.00 C ATOM 1356 C ARG A 88 -5.386 -24.649 6.978 1.00 0.00 C ATOM 1357 O ARG A 88 -5.018 -25.353 6.040 1.00 0.00 O ATOM 1358 CB ARG A 88 -7.619 -24.805 8.115 1.00 0.00 C ATOM 1359 CG ARG A 88 -8.488 -25.375 9.245 1.00 0.00 C ATOM 1360 CD ARG A 88 -9.896 -24.765 9.296 1.00 0.00 C ATOM 1361 NE ARG A 88 -10.613 -25.207 10.504 1.00 0.00 N ATOM 1362 CZ ARG A 88 -11.589 -24.535 11.129 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -12.076 -23.399 10.638 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -12.081 -25.024 12.253 1.00 0.00 N ATOM 0 H ARG A 88 -6.054 -24.096 9.931 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.080 -26.330 8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.669 -23.717 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.038 -25.115 7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.572 -26.455 9.120 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.990 -25.202 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.827 -23.677 9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.456 -25.057 8.408 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.342 -26.107 10.901 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.706 -23.020 9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.819 -22.907 11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.717 -25.899 12.631 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.824 -24.527 12.743 1.00 0.00 H new ATOM 1378 N GLU A 89 -5.158 -23.327 7.055 1.00 0.00 N ATOM 1379 CA GLU A 89 -4.545 -22.547 5.981 1.00 0.00 C ATOM 1380 C GLU A 89 -3.100 -23.006 5.735 1.00 0.00 C ATOM 1381 O GLU A 89 -2.763 -23.341 4.620 1.00 0.00 O ATOM 1382 CB GLU A 89 -4.602 -21.027 6.303 1.00 0.00 C ATOM 1383 CG GLU A 89 -6.002 -20.464 6.565 1.00 0.00 C ATOM 1384 CD GLU A 89 -6.987 -20.620 5.394 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -7.013 -19.741 4.504 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.738 -21.622 5.353 1.00 0.00 O ATOM 0 H GLU A 89 -5.399 -22.770 7.875 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.113 -22.717 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.982 -20.835 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.158 -20.480 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.420 -20.959 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.913 -19.405 6.809 1.00 0.00 H new ATOM 1393 N ARG A 90 -2.278 -23.078 6.808 1.00 0.00 N ATOM 1394 CA ARG A 90 -0.837 -23.488 6.694 1.00 0.00 C ATOM 1395 C ARG A 90 -0.658 -24.897 6.091 1.00 0.00 C ATOM 1396 O ARG A 90 0.364 -25.186 5.459 1.00 0.00 O ATOM 1397 CB ARG A 90 -0.098 -23.424 8.052 1.00 0.00 C ATOM 1398 CG ARG A 90 -0.615 -24.409 9.116 1.00 0.00 C ATOM 1399 CD ARG A 90 0.290 -24.502 10.355 1.00 0.00 C ATOM 1400 NE ARG A 90 -0.329 -25.265 11.463 1.00 0.00 N ATOM 1401 CZ ARG A 90 -0.649 -26.578 11.450 1.00 0.00 C ATOM 1402 NH1 ARG A 90 -0.403 -27.353 10.394 1.00 0.00 N ATOM 1403 NH2 ARG A 90 -1.219 -27.111 12.520 1.00 0.00 N ATOM 0 H ARG A 90 -2.574 -22.862 7.760 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.394 -22.762 6.012 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.961 -23.617 7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.178 -22.411 8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.614 -24.104 9.427 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.709 -25.399 8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.232 -24.975 10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.528 -23.496 10.701 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.534 -24.750 12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.039 -26.958 9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.657 -28.341 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.410 -26.532 13.338 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.467 -28.100 12.526 1.00 0.00 H new ATOM 1417 N ARG A 91 -1.654 -25.761 6.326 1.00 0.00 N ATOM 1418 CA ARG A 91 -1.698 -27.129 5.780 1.00 0.00 C ATOM 1419 C ARG A 91 -1.684 -27.110 4.238 1.00 0.00 C ATOM 1420 O ARG A 91 -0.939 -27.865 3.594 1.00 0.00 O ATOM 1421 CB ARG A 91 -2.975 -27.832 6.306 1.00 0.00 C ATOM 1422 CG ARG A 91 -3.288 -29.219 5.698 1.00 0.00 C ATOM 1423 CD ARG A 91 -4.648 -29.752 6.176 1.00 0.00 C ATOM 1424 NE ARG A 91 -5.014 -31.033 5.544 1.00 0.00 N ATOM 1425 CZ ARG A 91 -6.005 -31.844 5.955 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -6.728 -31.557 7.033 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -6.259 -32.950 5.281 1.00 0.00 N ATOM 0 H ARG A 91 -2.461 -25.530 6.906 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.814 -27.677 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.885 -27.944 7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.827 -27.177 6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.286 -29.149 4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.503 -29.923 5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.623 -29.880 7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.419 -29.012 5.960 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.473 -31.327 4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.535 -30.708 7.565 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.475 -32.185 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.706 -33.183 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.009 -33.572 5.585 1.00 0.00 H new ATOM 1441 N PHE A 92 -2.507 -26.219 3.668 1.00 0.00 N ATOM 1442 CA PHE A 92 -2.711 -26.108 2.220 1.00 0.00 C ATOM 1443 C PHE A 92 -1.668 -25.156 1.581 1.00 0.00 C ATOM 1444 O PHE A 92 -1.093 -25.462 0.532 1.00 0.00 O ATOM 1445 CB PHE A 92 -4.162 -25.634 1.957 1.00 0.00 C ATOM 1446 CG PHE A 92 -5.217 -26.605 2.491 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -5.223 -27.940 2.082 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -6.190 -26.193 3.398 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -6.163 -28.828 2.566 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -7.129 -27.080 3.881 1.00 0.00 C ATOM 1451 CZ PHE A 92 -7.116 -28.396 3.466 1.00 0.00 C ATOM 0 H PHE A 92 -3.055 -25.548 4.207 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.567 -27.082 1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.308 -24.658 2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.307 -25.504 0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.481 -28.283 1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.210 -25.165 3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.153 -29.858 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.876 -26.744 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.852 -29.089 3.846 1.00 0.00 H new ATOM 1461 N ASP A 93 -1.433 -24.013 2.238 1.00 0.00 N ATOM 1462 CA ASP A 93 -0.455 -22.994 1.831 1.00 0.00 C ATOM 1463 C ASP A 93 0.489 -22.689 3.020 1.00 0.00 C ATOM 1464 O ASP A 93 0.138 -22.005 3.985 1.00 0.00 O ATOM 1465 CB ASP A 93 -1.166 -21.713 1.294 1.00 0.00 C ATOM 1466 CG ASP A 93 -2.158 -21.060 2.281 1.00 0.00 C ATOM 1467 OD1 ASP A 93 -3.319 -21.538 2.370 1.00 0.00 O ATOM 1468 OD2 ASP A 93 -1.793 -20.074 2.963 1.00 0.00 O ATOM 0 H ASP A 93 -1.932 -23.764 3.092 1.00 0.00 H new ATOM 0 HA ASP A 93 0.147 -23.376 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.407 -20.979 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.701 -21.968 0.379 1.00 0.00 H new ATOM 1473 N SER A 94 1.692 -23.259 2.941 1.00 0.00 N ATOM 1474 CA SER A 94 2.759 -23.096 3.946 1.00 0.00 C ATOM 1475 C SER A 94 3.354 -21.665 3.913 1.00 0.00 C ATOM 1476 O SER A 94 3.985 -21.228 4.880 1.00 0.00 O ATOM 1477 CB SER A 94 3.848 -24.160 3.649 1.00 0.00 C ATOM 1478 OG SER A 94 4.939 -24.119 4.556 1.00 0.00 O ATOM 0 H SER A 94 1.964 -23.860 2.163 1.00 0.00 H new ATOM 0 HA SER A 94 2.353 -23.238 4.948 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.395 -25.151 3.681 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.222 -24.013 2.636 1.00 0.00 H new ATOM 0 HG SER A 94 5.589 -24.813 4.318 1.00 0.00 H new ATOM 1484 N ASP A 95 3.109 -20.939 2.808 1.00 0.00 N ATOM 1485 CA ASP A 95 3.730 -19.624 2.530 1.00 0.00 C ATOM 1486 C ASP A 95 3.122 -18.457 3.343 1.00 0.00 C ATOM 1487 O ASP A 95 3.585 -17.315 3.200 1.00 0.00 O ATOM 1488 CB ASP A 95 3.639 -19.315 1.009 1.00 0.00 C ATOM 1489 CG ASP A 95 2.192 -19.263 0.483 1.00 0.00 C ATOM 1490 OD1 ASP A 95 1.567 -18.179 0.514 1.00 0.00 O ATOM 1491 OD2 ASP A 95 1.677 -20.319 0.044 1.00 0.00 O ATOM 0 H ASP A 95 2.470 -21.247 2.075 1.00 0.00 H new ATOM 0 HA ASP A 95 4.770 -19.702 2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.125 -18.360 0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.192 -20.075 0.457 1.00 0.00 H new ATOM 1496 N LEU A 96 2.120 -18.722 4.202 1.00 0.00 N ATOM 1497 CA LEU A 96 1.452 -17.645 4.964 1.00 0.00 C ATOM 1498 C LEU A 96 2.303 -17.169 6.160 1.00 0.00 C ATOM 1499 O LEU A 96 3.197 -17.878 6.648 1.00 0.00 O ATOM 1500 CB LEU A 96 0.014 -18.061 5.405 1.00 0.00 C ATOM 1501 CG LEU A 96 -0.140 -18.947 6.697 1.00 0.00 C ATOM 1502 CD1 LEU A 96 -0.349 -18.105 7.978 1.00 0.00 C ATOM 1503 CD2 LEU A 96 -1.286 -19.944 6.550 1.00 0.00 C ATOM 0 H LEU A 96 1.758 -19.658 4.386 1.00 0.00 H new ATOM 0 HA LEU A 96 1.351 -16.793 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.565 -17.150 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.446 -18.598 4.576 1.00 0.00 H new ATOM 0 HG LEU A 96 0.800 -19.488 6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.449 -18.768 8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.508 -17.447 8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.253 -17.505 7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.367 -20.541 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.219 -19.405 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.092 -20.599 5.701 1.00 0.00 H new ATOM 1515 N TRP A 97 1.983 -15.947 6.615 1.00 0.00 N ATOM 1516 CA TRP A 97 2.624 -15.265 7.746 1.00 0.00 C ATOM 1517 C TRP A 97 1.562 -15.030 8.832 1.00 0.00 C ATOM 1518 O TRP A 97 0.389 -14.868 8.517 1.00 0.00 O ATOM 1519 CB TRP A 97 3.205 -13.897 7.272 1.00 0.00 C ATOM 1520 CG TRP A 97 4.309 -13.989 6.229 1.00 0.00 C ATOM 1521 CD1 TRP A 97 4.222 -14.500 4.962 1.00 0.00 C ATOM 1522 CD2 TRP A 97 5.656 -13.517 6.362 1.00 0.00 C ATOM 1523 NE1 TRP A 97 5.436 -14.420 4.337 1.00 0.00 N ATOM 1524 CE2 TRP A 97 6.324 -13.813 5.162 1.00 0.00 C ATOM 1525 CE3 TRP A 97 6.368 -12.893 7.387 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 7.659 -13.516 4.959 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 7.692 -12.581 7.179 1.00 0.00 C ATOM 1528 CH2 TRP A 97 8.325 -12.894 5.970 1.00 0.00 C ATOM 0 H TRP A 97 1.244 -15.388 6.189 1.00 0.00 H new ATOM 0 HA TRP A 97 3.437 -15.874 8.142 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.392 -13.296 6.865 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.591 -13.364 8.141 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.325 -14.907 4.520 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.641 -14.763 3.398 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.889 -12.659 8.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 8.155 -13.768 4.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.251 -12.087 7.960 1.00 0.00 H new ATOM 0 HH2 TRP A 97 9.365 -12.636 5.837 1.00 0.00 H new ATOM 1539 N VAL A 98 1.967 -15.047 10.110 1.00 0.00 N ATOM 1540 CA VAL A 98 1.093 -14.657 11.235 1.00 0.00 C ATOM 1541 C VAL A 98 1.769 -13.525 12.007 1.00 0.00 C ATOM 1542 O VAL A 98 2.933 -13.643 12.375 1.00 0.00 O ATOM 1543 CB VAL A 98 0.751 -15.847 12.218 1.00 0.00 C ATOM 1544 CG1 VAL A 98 -0.108 -15.373 13.422 1.00 0.00 C ATOM 1545 CG2 VAL A 98 0.039 -17.002 11.474 1.00 0.00 C ATOM 0 H VAL A 98 2.904 -15.329 10.396 1.00 0.00 H new ATOM 0 HA VAL A 98 0.142 -14.336 10.810 1.00 0.00 H new ATOM 0 HB VAL A 98 1.699 -16.218 12.608 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.321 -16.221 14.073 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.438 -14.614 13.982 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.045 -14.951 13.057 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.183 -17.805 12.177 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.890 -16.635 11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.688 -17.380 10.684 1.00 0.00 H new ATOM 1555 N VAL A 99 1.039 -12.414 12.195 1.00 0.00 N ATOM 1556 CA VAL A 99 1.476 -11.277 13.027 1.00 0.00 C ATOM 1557 C VAL A 99 0.392 -11.009 14.066 1.00 0.00 C ATOM 1558 O VAL A 99 -0.743 -10.690 13.701 1.00 0.00 O ATOM 1559 CB VAL A 99 1.728 -9.972 12.169 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.205 -8.781 13.044 1.00 0.00 C ATOM 1561 CG2 VAL A 99 2.725 -10.248 11.025 1.00 0.00 C ATOM 0 H VAL A 99 0.121 -12.277 11.771 1.00 0.00 H new ATOM 0 HA VAL A 99 2.423 -11.534 13.502 1.00 0.00 H new ATOM 0 HB VAL A 99 0.772 -9.687 11.731 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.365 -7.907 12.413 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.447 -8.553 13.793 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.138 -9.046 13.541 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.881 -9.335 10.450 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.675 -10.581 11.443 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.324 -11.024 10.372 1.00 0.00 H new ATOM 1571 N GLU A 100 0.712 -11.163 15.361 1.00 0.00 N ATOM 1572 CA GLU A 100 -0.234 -10.813 16.422 1.00 0.00 C ATOM 1573 C GLU A 100 -0.063 -9.332 16.781 1.00 0.00 C ATOM 1574 O GLU A 100 0.986 -8.914 17.268 1.00 0.00 O ATOM 1575 CB GLU A 100 -0.093 -11.728 17.673 1.00 0.00 C ATOM 1576 CG GLU A 100 1.274 -11.728 18.383 1.00 0.00 C ATOM 1577 CD GLU A 100 1.244 -12.489 19.720 1.00 0.00 C ATOM 1578 OE1 GLU A 100 1.225 -13.739 19.710 1.00 0.00 O ATOM 1579 OE2 GLU A 100 1.196 -11.838 20.788 1.00 0.00 O ATOM 0 H GLU A 100 1.607 -11.523 15.691 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.245 -10.978 16.049 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.852 -11.432 18.397 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.320 -12.751 17.373 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.020 -12.179 17.728 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.587 -10.699 18.561 1.00 0.00 H new ATOM 1586 N ILE A 101 -1.086 -8.534 16.462 1.00 0.00 N ATOM 1587 CA ILE A 101 -1.167 -7.131 16.878 1.00 0.00 C ATOM 1588 C ILE A 101 -2.153 -7.020 18.054 1.00 0.00 C ATOM 1589 O ILE A 101 -2.979 -7.916 18.278 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.588 -6.162 15.696 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -3.064 -6.389 15.244 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.623 -6.313 14.489 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.577 -5.395 14.218 1.00 0.00 C ATOM 0 H ILE A 101 -1.883 -8.844 15.906 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.172 -6.811 17.188 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.518 -5.144 16.079 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.152 -7.394 14.831 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.708 -6.348 16.122 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.931 -5.639 13.690 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.392 -6.066 14.801 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.651 -7.341 14.127 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.610 -5.633 13.966 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.527 -4.387 14.631 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.962 -5.450 13.320 1.00 0.00 H new ATOM 1605 N GLU A 102 -2.046 -5.933 18.817 1.00 0.00 N ATOM 1606 CA GLU A 102 -2.914 -5.671 19.961 1.00 0.00 C ATOM 1607 C GLU A 102 -3.276 -4.188 19.947 1.00 0.00 C ATOM 1608 O GLU A 102 -2.391 -3.330 20.023 1.00 0.00 O ATOM 1609 CB GLU A 102 -2.213 -6.078 21.284 1.00 0.00 C ATOM 1610 CG GLU A 102 -3.082 -5.882 22.539 1.00 0.00 C ATOM 1611 CD GLU A 102 -2.451 -6.470 23.810 1.00 0.00 C ATOM 1612 OE1 GLU A 102 -1.632 -5.784 24.453 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -2.768 -7.621 24.174 1.00 0.00 O ATOM 0 H GLU A 102 -1.349 -5.205 18.656 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.824 -6.267 19.894 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.917 -7.125 21.219 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.299 -5.495 21.393 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.258 -4.817 22.688 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.055 -6.346 22.376 1.00 0.00 H new ATOM 1620 N THR A 103 -4.576 -3.910 19.819 1.00 0.00 N ATOM 1621 CA THR A 103 -5.114 -2.549 19.649 1.00 0.00 C ATOM 1622 C THR A 103 -6.649 -2.606 19.728 1.00 0.00 C ATOM 1623 O THR A 103 -7.240 -3.695 19.686 1.00 0.00 O ATOM 1624 CB THR A 103 -4.647 -1.880 18.294 1.00 0.00 C ATOM 1625 OG1 THR A 103 -5.212 -0.559 18.145 1.00 0.00 O ATOM 1626 CG2 THR A 103 -5.004 -2.729 17.067 1.00 0.00 C ATOM 0 H THR A 103 -5.298 -4.631 19.830 1.00 0.00 H new ATOM 0 HA THR A 103 -4.722 -1.924 20.451 1.00 0.00 H new ATOM 0 HB THR A 103 -3.561 -1.807 18.349 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.708 -0.509 17.301 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.661 -2.225 16.163 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.520 -3.703 17.145 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.085 -2.864 17.020 1.00 0.00 H new ATOM 1634 N ASP A 104 -7.279 -1.439 19.892 1.00 0.00 N ATOM 1635 CA ASP A 104 -8.748 -1.306 19.936 1.00 0.00 C ATOM 1636 C ASP A 104 -9.318 -1.063 18.524 1.00 0.00 C ATOM 1637 O ASP A 104 -10.441 -1.484 18.218 1.00 0.00 O ATOM 1638 CB ASP A 104 -9.146 -0.143 20.885 1.00 0.00 C ATOM 1639 CG ASP A 104 -8.716 1.248 20.377 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -7.490 1.517 20.320 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -9.593 2.067 20.022 1.00 0.00 O ATOM 0 H ASP A 104 -6.787 -0.552 19.999 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.169 -2.236 20.317 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -10.227 -0.152 21.022 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.700 -0.316 21.864 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.523 -0.390 17.674 1.00 0.00 N ATOM 1647 CA GLU A 105 -8.940 0.032 16.321 1.00 0.00 C ATOM 1648 C GLU A 105 -7.967 -0.519 15.253 1.00 0.00 C ATOM 1649 O GLU A 105 -6.742 -0.445 15.413 1.00 0.00 O ATOM 1650 CB GLU A 105 -9.022 1.587 16.264 1.00 0.00 C ATOM 1651 CG GLU A 105 -7.727 2.316 16.686 1.00 0.00 C ATOM 1652 CD GLU A 105 -7.863 3.843 16.684 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -7.704 4.467 15.615 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -8.145 4.430 17.751 1.00 0.00 O ATOM 0 H GLU A 105 -7.567 -0.121 17.906 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.927 -0.377 16.104 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.277 1.887 15.248 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.836 1.919 16.908 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.441 1.985 17.684 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.920 2.029 16.011 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.532 -1.078 14.169 1.00 0.00 N ATOM 1662 CA ILE A 106 -7.762 -1.670 13.056 1.00 0.00 C ATOM 1663 C ILE A 106 -7.564 -0.652 11.916 1.00 0.00 C ATOM 1664 O ILE A 106 -6.496 -0.605 11.296 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.472 -2.971 12.494 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.593 -3.684 11.417 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -9.897 -2.685 11.969 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.275 -4.208 11.954 1.00 0.00 C ATOM 0 H ILE A 106 -9.542 -1.133 14.038 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.786 -1.949 13.452 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.582 -3.656 13.335 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.157 -4.514 10.992 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.392 -2.986 10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.339 -3.609 11.595 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.511 -2.290 12.779 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.848 -1.954 11.162 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.720 -4.690 11.149 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.690 -3.380 12.353 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.467 -4.932 12.746 1.00 0.00 H new ATOM 1680 N GLY A 107 -8.580 0.206 11.711 1.00 0.00 N ATOM 1681 CA GLY A 107 -8.706 1.011 10.494 1.00 0.00 C ATOM 1682 C GLY A 107 -7.578 2.014 10.258 1.00 0.00 C ATOM 1683 O GLY A 107 -7.370 2.454 9.124 1.00 0.00 O ATOM 0 H GLY A 107 -9.331 0.357 12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.759 0.339 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.651 1.553 10.532 1.00 0.00 H new ATOM 1687 N THR A 108 -6.856 2.381 11.322 1.00 0.00 N ATOM 1688 CA THR A 108 -5.743 3.336 11.235 1.00 0.00 C ATOM 1689 C THR A 108 -4.417 2.628 10.858 1.00 0.00 C ATOM 1690 O THR A 108 -3.612 3.163 10.091 1.00 0.00 O ATOM 1691 CB THR A 108 -5.592 4.139 12.572 1.00 0.00 C ATOM 1692 OG1 THR A 108 -4.642 5.205 12.412 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.181 3.260 13.769 1.00 0.00 C ATOM 0 H THR A 108 -7.024 2.027 12.264 1.00 0.00 H new ATOM 0 HA THR A 108 -5.974 4.043 10.439 1.00 0.00 H new ATOM 0 HB THR A 108 -6.579 4.544 12.795 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.559 5.699 13.255 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.094 3.879 14.662 1.00 0.00 H new ATOM 0 HG22 THR A 108 -5.936 2.491 13.932 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.221 2.787 13.561 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.237 1.385 11.345 1.00 0.00 N ATOM 1702 CA LEU A 109 -2.935 0.668 11.310 1.00 0.00 C ATOM 1703 C LEU A 109 -2.950 -0.553 10.367 1.00 0.00 C ATOM 1704 O LEU A 109 -1.944 -1.267 10.266 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.510 0.305 12.771 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.641 -0.220 13.730 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -3.945 -1.714 13.517 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.311 0.075 15.211 1.00 0.00 C ATOM 0 H LEU A 109 -4.987 0.844 11.775 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.182 1.332 10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.730 -0.454 12.719 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.064 1.190 13.225 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.546 0.329 13.471 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.732 -2.027 14.203 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.273 -1.876 12.490 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.045 -2.299 13.707 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.114 -0.302 15.845 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.376 -0.416 15.480 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.210 1.151 15.354 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.082 -0.760 9.671 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.224 -1.783 8.612 1.00 0.00 C ATOM 1722 C LEU A 110 -5.535 -1.537 7.838 1.00 0.00 C ATOM 1723 O LEU A 110 -6.532 -1.086 8.419 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.209 -3.221 9.211 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.279 -4.404 8.195 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.100 -4.358 7.200 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.358 -5.773 8.921 1.00 0.00 C ATOM 0 H LEU A 110 -4.933 -0.219 9.827 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.377 -1.701 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.300 -3.334 9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.050 -3.312 9.898 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.198 -4.289 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.177 -5.195 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.130 -3.421 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.160 -4.426 7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.405 -6.574 8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.474 -5.906 9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.250 -5.802 9.546 1.00 0.00 H new ATOM 1739 N THR A 111 -5.525 -1.838 6.525 1.00 0.00 N ATOM 1740 CA THR A 111 -6.680 -1.616 5.641 1.00 0.00 C ATOM 1741 C THR A 111 -7.413 -2.936 5.334 1.00 0.00 C ATOM 1742 O THR A 111 -6.780 -3.952 5.010 1.00 0.00 O ATOM 1743 CB THR A 111 -6.238 -0.933 4.308 1.00 0.00 C ATOM 1744 OG1 THR A 111 -5.443 0.227 4.604 1.00 0.00 O ATOM 1745 CG2 THR A 111 -7.457 -0.505 3.474 1.00 0.00 C ATOM 0 H THR A 111 -4.717 -2.241 6.051 1.00 0.00 H new ATOM 0 HA THR A 111 -7.368 -0.954 6.166 1.00 0.00 H new ATOM 0 HB THR A 111 -5.657 -1.654 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.164 0.655 3.767 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.119 -0.032 2.552 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.059 -1.381 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.058 0.203 4.045 1.00 0.00 H new ATOM 1753 N LEU A 112 -8.757 -2.896 5.429 1.00 0.00 N ATOM 1754 CA LEU A 112 -9.639 -4.058 5.184 1.00 0.00 C ATOM 1755 C LEU A 112 -10.632 -3.738 4.063 1.00 0.00 C ATOM 1756 O LEU A 112 -10.903 -2.582 3.794 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.423 -4.405 6.472 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.556 -4.589 7.746 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -10.426 -4.691 8.989 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -8.601 -5.790 7.616 1.00 0.00 C ATOM 0 H LEU A 112 -9.267 -2.049 5.680 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.022 -4.908 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.151 -3.615 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.985 -5.323 6.299 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.933 -3.701 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.793 -4.819 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -11.015 -3.780 9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.095 -5.547 8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.011 -5.886 8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.180 -6.700 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.935 -5.635 6.767 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.164 -4.776 3.420 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.263 -4.658 2.437 1.00 0.00 C ATOM 1774 C VAL A 113 -13.621 -4.823 3.143 1.00 0.00 C ATOM 1775 O VAL A 113 -14.671 -4.547 2.557 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.123 -5.733 1.291 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -10.874 -5.471 0.425 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -12.087 -7.167 1.870 1.00 0.00 C ATOM 0 H VAL A 113 -10.848 -5.736 3.561 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.206 -3.668 1.985 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.003 -5.644 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.807 -6.229 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.949 -4.485 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.982 -5.514 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.990 -7.886 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.237 -7.266 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.009 -7.361 2.418 1.00 0.00 H new ATOM 1788 N ASP A 114 -13.577 -5.296 4.405 1.00 0.00 N ATOM 1789 CA ASP A 114 -14.775 -5.608 5.187 1.00 0.00 C ATOM 1790 C ASP A 114 -15.160 -4.417 6.093 1.00 0.00 C ATOM 1791 O ASP A 114 -16.090 -3.671 5.771 1.00 0.00 O ATOM 1792 CB ASP A 114 -14.532 -6.901 6.008 1.00 0.00 C ATOM 1793 CG ASP A 114 -15.775 -7.330 6.800 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -16.689 -7.932 6.201 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -15.862 -7.039 8.013 1.00 0.00 O ATOM 0 H ASP A 114 -12.705 -5.470 4.905 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.615 -5.782 4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -14.237 -7.706 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.702 -6.741 6.697 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.420 -4.237 7.209 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.683 -3.176 8.207 1.00 0.00 C ATOM 1802 C GLN A 115 -14.378 -1.768 7.640 1.00 0.00 C ATOM 1803 O GLN A 115 -13.489 -1.632 6.786 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.836 -3.420 9.489 1.00 0.00 C ATOM 1805 CG GLN A 115 -14.174 -4.712 10.259 1.00 0.00 C ATOM 1806 CD GLN A 115 -15.562 -4.689 10.912 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -15.714 -4.280 12.064 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -16.585 -5.114 10.182 1.00 0.00 N ATOM 0 H GLN A 115 -13.621 -4.825 7.444 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.743 -3.217 8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.783 -3.446 9.210 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.967 -2.571 10.160 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -14.117 -5.559 9.575 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -13.421 -4.874 11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -16.429 -5.447 9.231 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -17.527 -5.107 10.572 1.00 0.00 H new