USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.535 K(o=0.54,f=-0.37) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -99:sc= 0.343 USER MOD Single : A 23 THR OG1 : rot -112:sc= 0.0352 USER MOD Single : A 24 GLN : amide:sc= -0.802 X(o=-0.8,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -160:sc= -0.326 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -2.45 K(o=-2.5,f=-7.9!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.124 USER MOD Single : A 54 GLN : amide:sc= -0.0536 X(o=-0.054,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0306) USER MOD Single : A 59 MET CE :methyl 179:sc= 0 (180deg=-0.000883) USER MOD Single : A 60 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.7) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.755 X(o=-0.76,f=-0.68) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.151 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 5.047 19.872 0.324 1.00 0.00 N ATOM 21 CA SER A 2 6.016 18.902 0.839 1.00 0.00 C ATOM 22 C SER A 2 5.491 17.463 0.687 1.00 0.00 C ATOM 23 O SER A 2 6.247 16.572 0.306 1.00 0.00 O ATOM 24 CB SER A 2 6.383 19.201 2.306 1.00 0.00 C ATOM 25 OG SER A 2 7.654 18.669 2.620 1.00 0.00 O ATOM 0 HA SER A 2 6.924 18.995 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.382 20.278 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.630 18.774 2.969 1.00 0.00 H new ATOM 0 HG SER A 2 7.871 18.870 3.554 1.00 0.00 H new ATOM 31 N LYS A 3 4.203 17.232 0.987 1.00 0.00 N ATOM 32 CA LYS A 3 3.538 15.930 0.888 1.00 0.00 C ATOM 33 C LYS A 3 3.543 15.379 -0.546 1.00 0.00 C ATOM 34 O LYS A 3 3.224 16.106 -1.485 1.00 0.00 O ATOM 35 CB LYS A 3 2.081 16.068 1.367 1.00 0.00 C ATOM 36 CG LYS A 3 1.811 15.510 2.768 1.00 0.00 C ATOM 37 CD LYS A 3 2.701 16.110 3.863 1.00 0.00 C ATOM 38 CE LYS A 3 2.235 15.601 5.233 1.00 0.00 C ATOM 39 NZ LYS A 3 3.219 15.891 6.291 1.00 0.00 N ATOM 0 H LYS A 3 3.580 17.970 1.315 1.00 0.00 H new ATOM 0 HA LYS A 3 4.091 15.230 1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.807 17.123 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.430 15.559 0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.767 15.690 3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.953 14.429 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.741 15.833 3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.652 17.198 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.282 16.064 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.063 14.526 5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.867 15.531 7.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.122 15.428 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.364 16.919 6.358 1.00 0.00 H new ATOM 53 N VAL A 4 3.881 14.088 -0.690 1.00 0.00 N ATOM 54 CA VAL A 4 4.047 13.410 -1.969 1.00 0.00 C ATOM 55 C VAL A 4 3.432 12.017 -1.868 1.00 0.00 C ATOM 56 O VAL A 4 4.093 11.064 -1.462 1.00 0.00 O ATOM 57 CB VAL A 4 5.540 13.388 -2.381 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.541 13.011 -1.283 1.00 0.00 C ATOM 59 CG2 VAL A 4 5.767 12.488 -3.608 1.00 0.00 C ATOM 0 H VAL A 4 4.049 13.476 0.108 1.00 0.00 H new ATOM 0 HA VAL A 4 3.525 13.949 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 4 5.749 14.431 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.552 13.030 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.467 13.725 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.317 12.010 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.824 12.493 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.457 11.470 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.181 12.863 -4.447 1.00 0.00 H new ATOM 69 N CYS A 5 2.152 11.905 -2.226 1.00 0.00 N ATOM 70 CA CYS A 5 1.473 10.615 -2.227 1.00 0.00 C ATOM 71 C CYS A 5 1.770 9.842 -3.513 1.00 0.00 C ATOM 72 O CYS A 5 2.071 10.444 -4.543 1.00 0.00 O ATOM 73 CB CYS A 5 -0.038 10.762 -1.982 1.00 0.00 C ATOM 74 SG CYS A 5 -0.607 11.983 -0.763 1.00 0.00 S ATOM 0 H CYS A 5 1.570 12.690 -2.517 1.00 0.00 H new ATOM 0 HA CYS A 5 1.868 10.034 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.506 11.004 -2.936 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.420 9.788 -1.678 1.00 0.00 H new ATOM 79 N ILE A 6 1.701 8.505 -3.446 1.00 0.00 N ATOM 80 CA ILE A 6 2.038 7.632 -4.568 1.00 0.00 C ATOM 81 C ILE A 6 1.149 6.389 -4.523 1.00 0.00 C ATOM 82 O ILE A 6 0.792 5.930 -3.437 1.00 0.00 O ATOM 83 CB ILE A 6 3.538 7.261 -4.600 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.102 6.670 -3.300 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.419 8.427 -5.086 1.00 0.00 C ATOM 86 CD1 ILE A 6 4.458 7.716 -2.239 1.00 0.00 C ATOM 0 H ILE A 6 1.409 8.002 -2.608 1.00 0.00 H new ATOM 0 HA ILE A 6 1.849 8.175 -5.494 1.00 0.00 H new ATOM 0 HB ILE A 6 3.579 6.452 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.371 5.978 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.994 6.089 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.464 8.116 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.121 8.712 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.297 9.279 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.849 7.217 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.213 8.395 -2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.566 8.282 -1.972 1.00 0.00 H new ATOM 98 N ILE A 7 0.789 5.859 -5.698 1.00 0.00 N ATOM 99 CA ILE A 7 -0.045 4.666 -5.840 1.00 0.00 C ATOM 100 C ILE A 7 0.800 3.499 -6.351 1.00 0.00 C ATOM 101 O ILE A 7 1.447 3.621 -7.388 1.00 0.00 O ATOM 102 CB ILE A 7 -1.277 4.946 -6.724 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.189 3.706 -6.775 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.934 5.404 -8.151 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.671 4.087 -6.825 1.00 0.00 C ATOM 0 H ILE A 7 1.076 6.257 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.436 4.384 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.798 5.780 -6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.939 3.107 -7.651 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.004 3.083 -5.900 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.854 5.580 -8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.354 6.326 -8.108 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.350 4.631 -8.651 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.278 3.182 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.929 4.663 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.863 4.687 -7.714 1.00 0.00 H new ATOM 117 N ALA A 8 0.805 2.382 -5.611 1.00 0.00 N ATOM 118 CA ALA A 8 1.565 1.184 -5.925 1.00 0.00 C ATOM 119 C ALA A 8 0.621 0.020 -6.234 1.00 0.00 C ATOM 120 O ALA A 8 -0.078 -0.461 -5.341 1.00 0.00 O ATOM 121 CB ALA A 8 2.520 0.851 -4.775 1.00 0.00 C ATOM 0 H ALA A 8 0.261 2.294 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 8 2.166 1.363 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.085 -0.048 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.209 1.682 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.947 0.682 -3.863 1.00 0.00 H new ATOM 127 N TRP A 9 0.609 -0.432 -7.494 1.00 0.00 N ATOM 128 CA TRP A 9 -0.201 -1.551 -7.959 1.00 0.00 C ATOM 129 C TRP A 9 0.607 -2.837 -7.923 1.00 0.00 C ATOM 130 O TRP A 9 1.718 -2.867 -8.449 1.00 0.00 O ATOM 131 CB TRP A 9 -0.646 -1.297 -9.399 1.00 0.00 C ATOM 132 CG TRP A 9 -1.599 -0.162 -9.546 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.874 -0.174 -9.117 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.400 1.137 -10.164 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.480 1.030 -9.401 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.615 1.876 -10.059 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.321 1.760 -10.820 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.748 3.175 -10.568 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.473 3.026 -11.408 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.667 3.752 -11.253 1.00 0.00 C ATOM 0 H TRP A 9 1.178 -0.016 -8.231 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.069 -1.646 -7.306 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.234 -1.101 -10.011 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.111 -2.202 -9.790 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.353 -1.006 -8.622 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.442 1.264 -9.156 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.634 1.259 -10.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.669 3.724 -10.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.336 3.447 -11.986 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.752 4.749 -11.659 1.00 0.00 H new ATOM 151 N VAL A 10 0.040 -3.896 -7.333 1.00 0.00 N ATOM 152 CA VAL A 10 0.717 -5.174 -7.180 1.00 0.00 C ATOM 153 C VAL A 10 0.018 -6.197 -8.088 1.00 0.00 C ATOM 154 O VAL A 10 -1.051 -6.697 -7.738 1.00 0.00 O ATOM 155 CB VAL A 10 0.689 -5.595 -5.699 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.754 -6.656 -5.424 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.929 -4.456 -4.694 1.00 0.00 C ATOM 0 H VAL A 10 -0.905 -3.883 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 10 1.764 -5.106 -7.476 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.325 -5.967 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.720 -6.942 -4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.564 -7.532 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.739 -6.252 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.890 -4.852 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.909 -4.013 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.159 -3.695 -4.816 1.00 0.00 H new ATOM 167 N TYR A 11 0.608 -6.503 -9.254 1.00 0.00 N ATOM 168 CA TYR A 11 0.065 -7.472 -10.207 1.00 0.00 C ATOM 169 C TYR A 11 0.128 -8.895 -9.644 1.00 0.00 C ATOM 170 O TYR A 11 0.661 -9.124 -8.559 1.00 0.00 O ATOM 171 CB TYR A 11 0.812 -7.406 -11.545 1.00 0.00 C ATOM 172 CG TYR A 11 0.695 -6.087 -12.280 1.00 0.00 C ATOM 173 CD1 TYR A 11 -0.473 -5.780 -13.003 1.00 0.00 C ATOM 174 CD2 TYR A 11 1.801 -5.223 -12.339 1.00 0.00 C ATOM 175 CE1 TYR A 11 -0.533 -4.607 -13.777 1.00 0.00 C ATOM 176 CE2 TYR A 11 1.753 -4.070 -13.139 1.00 0.00 C ATOM 177 CZ TYR A 11 0.581 -3.753 -13.847 1.00 0.00 C ATOM 178 OH TYR A 11 0.528 -2.621 -14.606 1.00 0.00 O ATOM 0 H TYR A 11 1.483 -6.078 -9.561 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.980 -7.212 -10.377 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.867 -7.612 -11.365 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.438 -8.200 -12.192 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.323 -6.445 -12.963 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.690 -5.446 -11.768 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.435 -4.363 -14.318 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.617 -3.426 -13.210 1.00 0.00 H new ATOM 0 HH TYR A 11 1.382 -2.144 -14.543 1.00 0.00 H new ATOM 188 N GLY A 12 -0.406 -9.864 -10.400 1.00 0.00 N ATOM 189 CA GLY A 12 -0.429 -11.251 -9.979 1.00 0.00 C ATOM 190 C GLY A 12 -1.428 -11.466 -8.850 1.00 0.00 C ATOM 191 O GLY A 12 -2.311 -10.639 -8.645 1.00 0.00 O ATOM 0 H GLY A 12 -0.829 -9.699 -11.313 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.690 -11.887 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.566 -11.551 -9.650 1.00 0.00 H new ATOM 195 N ARG A 13 -1.287 -12.585 -8.133 1.00 0.00 N ATOM 196 CA ARG A 13 -2.241 -13.027 -7.124 1.00 0.00 C ATOM 197 C ARG A 13 -1.861 -12.546 -5.726 1.00 0.00 C ATOM 198 O ARG A 13 -1.117 -13.217 -5.013 1.00 0.00 O ATOM 199 CB ARG A 13 -2.394 -14.547 -7.136 1.00 0.00 C ATOM 200 CG ARG A 13 -2.608 -15.073 -8.558 1.00 0.00 C ATOM 201 CD ARG A 13 -3.245 -16.463 -8.542 1.00 0.00 C ATOM 202 NE ARG A 13 -3.389 -16.959 -9.914 1.00 0.00 N ATOM 203 CZ ARG A 13 -3.865 -18.165 -10.266 1.00 0.00 C ATOM 204 NH1 ARG A 13 -4.258 -19.049 -9.338 1.00 0.00 N ATOM 205 NH2 ARG A 13 -3.942 -18.480 -11.566 1.00 0.00 N ATOM 0 H ARG A 13 -0.493 -13.216 -8.243 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.200 -12.578 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.505 -15.008 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.238 -14.835 -6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.246 -14.384 -9.112 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.653 -15.114 -9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.629 -17.149 -7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.220 -16.421 -8.057 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.103 -16.334 -10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.198 -18.810 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.617 -19.961 -9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.641 -17.808 -12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.301 -19.392 -11.849 1.00 0.00 H new ATOM 219 N VAL A 14 -2.391 -11.379 -5.356 1.00 0.00 N ATOM 220 CA VAL A 14 -2.084 -10.705 -4.096 1.00 0.00 C ATOM 221 C VAL A 14 -3.348 -10.458 -3.278 1.00 0.00 C ATOM 222 O VAL A 14 -3.291 -10.440 -2.053 1.00 0.00 O ATOM 223 CB VAL A 14 -1.342 -9.396 -4.382 1.00 0.00 C ATOM 224 CG1 VAL A 14 -0.875 -8.741 -3.071 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.118 -9.725 -5.241 1.00 0.00 C ATOM 0 H VAL A 14 -3.057 -10.868 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.440 -11.351 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.008 -8.703 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.350 -7.812 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.740 -8.527 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.204 -9.419 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.430 -8.808 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.530 -10.415 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.442 -10.186 -6.174 1.00 0.00 H new ATOM 235 N GLN A 15 -4.495 -10.258 -3.936 1.00 0.00 N ATOM 236 CA GLN A 15 -5.757 -10.118 -3.229 1.00 0.00 C ATOM 237 C GLN A 15 -6.195 -11.470 -2.668 1.00 0.00 C ATOM 238 O GLN A 15 -5.895 -12.513 -3.249 1.00 0.00 O ATOM 239 CB GLN A 15 -6.810 -9.494 -4.140 1.00 0.00 C ATOM 240 CG GLN A 15 -7.254 -10.377 -5.303 1.00 0.00 C ATOM 241 CD GLN A 15 -8.400 -9.725 -6.073 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.403 -10.374 -6.351 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.272 -8.437 -6.398 1.00 0.00 N ATOM 0 H GLN A 15 -4.568 -10.191 -4.951 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.629 -9.442 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.684 -9.240 -3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.416 -8.560 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.413 -10.553 -5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.570 -11.350 -4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.422 -7.930 -6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.024 -7.959 -6.895 1.00 0.00 H new ATOM 252 N GLY A 16 -6.899 -11.444 -1.532 1.00 0.00 N ATOM 253 CA GLY A 16 -7.461 -12.631 -0.908 1.00 0.00 C ATOM 254 C GLY A 16 -6.572 -13.204 0.196 1.00 0.00 C ATOM 255 O GLY A 16 -7.077 -13.920 1.058 1.00 0.00 O ATOM 0 H GLY A 16 -7.093 -10.584 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.438 -12.387 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.622 -13.394 -1.670 1.00 0.00 H new ATOM 259 N VAL A 17 -5.270 -12.887 0.199 1.00 0.00 N ATOM 260 CA VAL A 17 -4.341 -13.382 1.210 1.00 0.00 C ATOM 261 C VAL A 17 -4.354 -12.526 2.486 1.00 0.00 C ATOM 262 O VAL A 17 -3.620 -12.817 3.427 1.00 0.00 O ATOM 263 CB VAL A 17 -2.944 -13.521 0.583 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.229 -12.177 0.428 1.00 0.00 C ATOM 265 CG2 VAL A 17 -2.062 -14.455 1.408 1.00 0.00 C ATOM 0 H VAL A 17 -4.838 -12.282 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.664 -14.369 1.541 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.104 -13.940 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.248 -12.336 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.819 -11.523 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.110 -11.713 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.080 -14.535 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.953 -14.056 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.522 -15.442 1.456 1.00 0.00 H new ATOM 275 N GLY A 18 -5.181 -11.473 2.545 1.00 0.00 N ATOM 276 CA GLY A 18 -5.204 -10.569 3.680 1.00 0.00 C ATOM 277 C GLY A 18 -3.833 -9.928 3.872 1.00 0.00 C ATOM 278 O GLY A 18 -3.277 -9.964 4.968 1.00 0.00 O ATOM 0 H GLY A 18 -5.844 -11.234 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.956 -9.796 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.489 -11.112 4.581 1.00 0.00 H new ATOM 282 N PHE A 19 -3.300 -9.340 2.793 1.00 0.00 N ATOM 283 CA PHE A 19 -2.032 -8.621 2.810 1.00 0.00 C ATOM 284 C PHE A 19 -2.065 -7.472 3.815 1.00 0.00 C ATOM 285 O PHE A 19 -1.057 -7.188 4.454 1.00 0.00 O ATOM 286 CB PHE A 19 -1.689 -8.111 1.403 1.00 0.00 C ATOM 287 CG PHE A 19 -0.216 -8.210 1.063 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.296 -9.422 0.570 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.631 -7.097 1.194 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.650 -9.532 0.224 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.981 -7.199 0.810 1.00 0.00 C ATOM 292 CZ PHE A 19 2.501 -8.426 0.369 1.00 0.00 C ATOM 0 H PHE A 19 -3.747 -9.354 1.876 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.251 -9.313 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.261 -8.680 0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.004 -7.071 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.358 -10.274 0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.248 -6.167 1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.037 -10.467 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.620 -6.329 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.553 -8.518 0.142 1.00 0.00 H new ATOM 302 N ARG A 20 -3.231 -6.842 3.971 1.00 0.00 N ATOM 303 CA ARG A 20 -3.492 -5.746 4.891 1.00 0.00 C ATOM 304 C ARG A 20 -3.625 -6.224 6.346 1.00 0.00 C ATOM 305 O ARG A 20 -4.618 -5.926 7.008 1.00 0.00 O ATOM 306 CB ARG A 20 -4.771 -5.036 4.425 1.00 0.00 C ATOM 307 CG ARG A 20 -5.945 -6.032 4.330 1.00 0.00 C ATOM 308 CD ARG A 20 -6.389 -6.217 2.876 1.00 0.00 C ATOM 309 NE ARG A 20 -7.283 -7.374 2.766 1.00 0.00 N ATOM 310 CZ ARG A 20 -7.328 -8.238 1.739 1.00 0.00 C ATOM 311 NH1 ARG A 20 -6.632 -8.018 0.613 1.00 0.00 N ATOM 312 NH2 ARG A 20 -8.075 -9.345 1.854 1.00 0.00 N ATOM 0 H ARG A 20 -4.056 -7.099 3.430 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.646 -5.058 4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.022 -4.236 5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.602 -4.572 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.646 -6.993 4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.783 -5.671 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.899 -5.319 2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.518 -6.359 2.237 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.928 -7.537 3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.055 -7.182 0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.680 -8.687 -0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.598 -9.520 2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.120 -10.012 1.084 1.00 0.00 H new ATOM 326 N TYR A 21 -2.625 -6.955 6.852 1.00 0.00 N ATOM 327 CA TYR A 21 -2.645 -7.508 8.198 1.00 0.00 C ATOM 328 C TYR A 21 -2.094 -6.474 9.180 1.00 0.00 C ATOM 329 O TYR A 21 -2.839 -5.954 10.008 1.00 0.00 O ATOM 330 CB TYR A 21 -1.868 -8.830 8.228 1.00 0.00 C ATOM 331 CG TYR A 21 -2.217 -9.728 9.401 1.00 0.00 C ATOM 332 CD1 TYR A 21 -1.754 -9.424 10.695 1.00 0.00 C ATOM 333 CD2 TYR A 21 -3.018 -10.869 9.198 1.00 0.00 C ATOM 334 CE1 TYR A 21 -2.084 -10.258 11.778 1.00 0.00 C ATOM 335 CE2 TYR A 21 -3.337 -11.710 10.278 1.00 0.00 C ATOM 336 CZ TYR A 21 -2.868 -11.406 11.568 1.00 0.00 C ATOM 337 OH TYR A 21 -3.177 -12.229 12.611 1.00 0.00 O ATOM 0 H TYR A 21 -1.777 -7.177 6.330 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.667 -7.734 8.503 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.057 -9.371 7.301 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.801 -8.611 8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.144 -8.548 10.857 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.388 -11.098 8.210 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.735 -10.017 12.771 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.942 -12.590 10.117 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.726 -12.974 12.288 1.00 0.00 H new ATOM 347 N THR A 22 -0.792 -6.177 9.072 1.00 0.00 N ATOM 348 CA THR A 22 -0.096 -5.217 9.925 1.00 0.00 C ATOM 349 C THR A 22 0.120 -3.869 9.221 1.00 0.00 C ATOM 350 O THR A 22 0.706 -2.967 9.819 1.00 0.00 O ATOM 351 CB THR A 22 1.207 -5.835 10.464 1.00 0.00 C ATOM 352 OG1 THR A 22 1.700 -5.062 11.537 1.00 0.00 O ATOM 353 CG2 THR A 22 2.292 -5.983 9.394 1.00 0.00 C ATOM 0 H THR A 22 -0.186 -6.608 8.374 1.00 0.00 H new ATOM 0 HA THR A 22 -0.729 -4.992 10.783 1.00 0.00 H new ATOM 0 HB THR A 22 0.957 -6.840 10.804 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.413 -4.472 11.215 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.184 -6.424 9.839 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.928 -6.628 8.594 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.537 -5.002 8.986 1.00 0.00 H new ATOM 361 N THR A 23 -0.365 -3.713 7.977 1.00 0.00 N ATOM 362 CA THR A 23 -0.273 -2.459 7.227 1.00 0.00 C ATOM 363 C THR A 23 -0.723 -1.249 8.063 1.00 0.00 C ATOM 364 O THR A 23 -0.163 -0.164 7.925 1.00 0.00 O ATOM 365 CB THR A 23 -1.049 -2.574 5.899 1.00 0.00 C ATOM 366 OG1 THR A 23 -0.743 -1.477 5.064 1.00 0.00 O ATOM 367 CG2 THR A 23 -2.567 -2.655 6.075 1.00 0.00 C ATOM 0 H THR A 23 -0.834 -4.461 7.465 1.00 0.00 H new ATOM 0 HA THR A 23 0.776 -2.283 6.989 1.00 0.00 H new ATOM 0 HB THR A 23 -0.729 -3.513 5.447 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.536 -0.909 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.043 -2.734 5.098 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.818 -3.531 6.673 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.923 -1.757 6.580 1.00 0.00 H new ATOM 375 N GLN A 24 -1.710 -1.450 8.948 1.00 0.00 N ATOM 376 CA GLN A 24 -2.234 -0.440 9.858 1.00 0.00 C ATOM 377 C GLN A 24 -1.183 -0.072 10.911 1.00 0.00 C ATOM 378 O GLN A 24 -0.867 1.104 11.082 1.00 0.00 O ATOM 379 CB GLN A 24 -3.507 -0.967 10.537 1.00 0.00 C ATOM 380 CG GLN A 24 -4.650 -1.216 9.536 1.00 0.00 C ATOM 381 CD GLN A 24 -5.775 -0.191 9.591 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.076 0.384 10.635 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.440 0.002 8.457 1.00 0.00 N ATOM 0 H GLN A 24 -2.176 -2.352 9.048 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.478 0.457 9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.278 -1.895 11.060 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.837 -0.250 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.236 -1.228 8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.068 -2.205 9.721 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.160 -0.494 7.611 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.231 0.646 8.433 1.00 0.00 H new ATOM 392 N TYR A 25 -0.669 -1.073 11.639 1.00 0.00 N ATOM 393 CA TYR A 25 0.273 -0.877 12.735 1.00 0.00 C ATOM 394 C TYR A 25 1.491 -0.085 12.266 1.00 0.00 C ATOM 395 O TYR A 25 1.810 0.960 12.832 1.00 0.00 O ATOM 396 CB TYR A 25 0.701 -2.233 13.319 1.00 0.00 C ATOM 397 CG TYR A 25 0.804 -2.237 14.832 1.00 0.00 C ATOM 398 CD1 TYR A 25 -0.344 -2.482 15.608 1.00 0.00 C ATOM 399 CD2 TYR A 25 2.033 -1.982 15.466 1.00 0.00 C ATOM 400 CE1 TYR A 25 -0.255 -2.514 17.009 1.00 0.00 C ATOM 401 CE2 TYR A 25 2.122 -2.009 16.870 1.00 0.00 C ATOM 402 CZ TYR A 25 0.979 -2.287 17.642 1.00 0.00 C ATOM 403 OH TYR A 25 1.060 -2.337 19.003 1.00 0.00 O ATOM 0 H TYR A 25 -0.903 -2.052 11.476 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.223 -0.303 13.518 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.015 -2.995 13.010 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.666 -2.513 12.897 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.296 -2.646 15.125 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.910 -1.765 14.874 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.136 -2.713 17.601 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.068 -1.816 17.355 1.00 0.00 H new ATOM 0 HH TYR A 25 1.982 -2.159 19.283 1.00 0.00 H new ATOM 413 N GLU A 26 2.151 -0.587 11.214 1.00 0.00 N ATOM 414 CA GLU A 26 3.291 0.064 10.587 1.00 0.00 C ATOM 415 C GLU A 26 2.939 1.504 10.211 1.00 0.00 C ATOM 416 O GLU A 26 3.703 2.419 10.510 1.00 0.00 O ATOM 417 CB GLU A 26 3.723 -0.722 9.340 1.00 0.00 C ATOM 418 CG GLU A 26 5.080 -1.428 9.498 1.00 0.00 C ATOM 419 CD GLU A 26 5.006 -2.764 10.236 1.00 0.00 C ATOM 420 OE1 GLU A 26 3.908 -3.110 10.719 1.00 0.00 O ATOM 421 OE2 GLU A 26 6.067 -3.423 10.298 1.00 0.00 O ATOM 0 H GLU A 26 1.898 -1.471 10.773 1.00 0.00 H new ATOM 0 HA GLU A 26 4.119 0.084 11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.961 -1.466 9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.774 -0.041 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.508 -1.594 8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.761 -0.767 10.033 1.00 0.00 H new ATOM 428 N ALA A 27 1.784 1.700 9.561 1.00 0.00 N ATOM 429 CA ALA A 27 1.345 3.022 9.136 1.00 0.00 C ATOM 430 C ALA A 27 1.266 4.013 10.297 1.00 0.00 C ATOM 431 O ALA A 27 1.441 5.211 10.089 1.00 0.00 O ATOM 432 CB ALA A 27 -0.004 2.934 8.412 1.00 0.00 C ATOM 0 H ALA A 27 1.137 0.949 9.320 1.00 0.00 H new ATOM 0 HA ALA A 27 2.097 3.400 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.316 3.931 8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.095 2.295 7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.751 2.513 9.085 1.00 0.00 H new ATOM 438 N LYS A 28 1.019 3.513 11.512 1.00 0.00 N ATOM 439 CA LYS A 28 0.972 4.312 12.727 1.00 0.00 C ATOM 440 C LYS A 28 2.364 4.815 13.135 1.00 0.00 C ATOM 441 O LYS A 28 2.474 5.892 13.716 1.00 0.00 O ATOM 442 CB LYS A 28 0.306 3.495 13.849 1.00 0.00 C ATOM 443 CG LYS A 28 -0.784 4.325 14.531 1.00 0.00 C ATOM 444 CD LYS A 28 -1.539 3.527 15.607 1.00 0.00 C ATOM 445 CE LYS A 28 -2.978 3.184 15.187 1.00 0.00 C ATOM 446 NZ LYS A 28 -3.879 3.132 16.352 1.00 0.00 N ATOM 0 H LYS A 28 0.844 2.521 11.675 1.00 0.00 H new ATOM 0 HA LYS A 28 0.373 5.203 12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.125 2.583 13.437 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.054 3.192 14.581 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.334 5.208 14.985 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.491 4.678 13.781 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.997 2.605 15.818 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.562 4.103 16.532 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.339 3.929 14.478 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.990 2.223 14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.842 2.898 16.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.546 2.404 17.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.885 4.057 16.827 1.00 0.00 H new ATOM 460 N ARG A 29 3.421 4.048 12.833 1.00 0.00 N ATOM 461 CA ARG A 29 4.798 4.408 13.142 1.00 0.00 C ATOM 462 C ARG A 29 5.249 5.609 12.305 1.00 0.00 C ATOM 463 O ARG A 29 5.906 6.505 12.830 1.00 0.00 O ATOM 464 CB ARG A 29 5.737 3.209 12.925 1.00 0.00 C ATOM 465 CG ARG A 29 5.317 1.934 13.670 1.00 0.00 C ATOM 466 CD ARG A 29 5.376 2.091 15.197 1.00 0.00 C ATOM 467 NE ARG A 29 6.424 1.254 15.797 1.00 0.00 N ATOM 468 CZ ARG A 29 6.389 -0.088 15.870 1.00 0.00 C ATOM 469 NH1 ARG A 29 5.349 -0.770 15.374 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.406 -0.749 16.440 1.00 0.00 N ATOM 0 H ARG A 29 3.334 3.148 12.360 1.00 0.00 H new ATOM 0 HA ARG A 29 4.845 4.691 14.193 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.789 2.992 11.858 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.742 3.487 13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.303 1.664 13.376 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.966 1.112 13.368 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.559 3.136 15.447 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.410 1.825 15.626 1.00 0.00 H new ATOM 0 HE ARG A 29 7.239 1.727 16.187 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.574 -0.271 14.936 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.331 -1.788 15.434 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.202 -0.234 16.816 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.384 -1.767 16.498 1.00 0.00 H new ATOM 484 N LEU A 30 4.900 5.627 11.013 1.00 0.00 N ATOM 485 CA LEU A 30 5.267 6.710 10.107 1.00 0.00 C ATOM 486 C LEU A 30 4.280 7.872 10.195 1.00 0.00 C ATOM 487 O LEU A 30 4.694 9.030 10.185 1.00 0.00 O ATOM 488 CB LEU A 30 5.364 6.184 8.670 1.00 0.00 C ATOM 489 CG LEU A 30 6.581 5.294 8.375 1.00 0.00 C ATOM 490 CD1 LEU A 30 7.895 5.973 8.780 1.00 0.00 C ATOM 491 CD2 LEU A 30 6.488 3.893 8.978 1.00 0.00 C ATOM 0 H LEU A 30 4.354 4.888 10.570 1.00 0.00 H new ATOM 0 HA LEU A 30 6.243 7.089 10.409 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.459 5.619 8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.385 7.036 7.990 1.00 0.00 H new ATOM 0 HG LEU A 30 6.576 5.160 7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.731 5.311 8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.010 6.904 8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.879 6.187 9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.385 3.328 8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.401 3.968 10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.612 3.382 8.578 1.00 0.00 H new ATOM 503 N GLY A 31 2.981 7.567 10.265 1.00 0.00 N ATOM 504 CA GLY A 31 1.917 8.556 10.318 1.00 0.00 C ATOM 505 C GLY A 31 1.366 8.912 8.937 1.00 0.00 C ATOM 506 O GLY A 31 0.543 9.821 8.832 1.00 0.00 O ATOM 0 H GLY A 31 2.640 6.606 10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.106 8.177 10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.292 9.460 10.798 1.00 0.00 H new ATOM 510 N LEU A 32 1.795 8.204 7.884 1.00 0.00 N ATOM 511 CA LEU A 32 1.255 8.368 6.539 1.00 0.00 C ATOM 512 C LEU A 32 -0.236 8.031 6.482 1.00 0.00 C ATOM 513 O LEU A 32 -0.801 7.458 7.414 1.00 0.00 O ATOM 514 CB LEU A 32 2.064 7.560 5.506 1.00 0.00 C ATOM 515 CG LEU A 32 1.807 6.047 5.375 1.00 0.00 C ATOM 516 CD1 LEU A 32 1.715 5.355 6.724 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.570 5.662 4.561 1.00 0.00 C ATOM 0 H LEU A 32 2.530 7.500 7.947 1.00 0.00 H new ATOM 0 HA LEU A 32 1.353 9.421 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.891 8.009 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.121 7.696 5.736 1.00 0.00 H new ATOM 0 HG LEU A 32 2.683 5.704 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.533 4.291 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.650 5.491 7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.896 5.786 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.479 4.576 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.319 6.087 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.668 6.048 3.546 1.00 0.00 H new ATOM 529 N THR A 33 -0.868 8.392 5.366 1.00 0.00 N ATOM 530 CA THR A 33 -2.296 8.211 5.154 1.00 0.00 C ATOM 531 C THR A 33 -2.496 7.551 3.794 1.00 0.00 C ATOM 532 O THR A 33 -1.638 7.679 2.923 1.00 0.00 O ATOM 533 CB THR A 33 -3.010 9.569 5.235 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.541 10.455 4.245 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.840 10.226 6.608 1.00 0.00 C ATOM 0 H THR A 33 -0.392 8.824 4.574 1.00 0.00 H new ATOM 0 HA THR A 33 -2.725 7.571 5.925 1.00 0.00 H new ATOM 0 HB THR A 33 -4.068 9.366 5.071 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.758 11.376 4.501 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.361 11.183 6.620 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.258 9.576 7.377 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.780 10.387 6.806 1.00 0.00 H new ATOM 543 N GLY A 34 -3.619 6.861 3.589 1.00 0.00 N ATOM 544 CA GLY A 34 -3.877 6.215 2.313 1.00 0.00 C ATOM 545 C GLY A 34 -4.961 5.165 2.433 1.00 0.00 C ATOM 546 O GLY A 34 -5.875 5.291 3.245 1.00 0.00 O ATOM 0 H GLY A 34 -4.354 6.739 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.174 6.964 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.961 5.753 1.946 1.00 0.00 H new ATOM 550 N TYR A 35 -4.833 4.122 1.613 1.00 0.00 N ATOM 551 CA TYR A 35 -5.696 2.953 1.696 1.00 0.00 C ATOM 552 C TYR A 35 -5.185 1.810 0.826 1.00 0.00 C ATOM 553 O TYR A 35 -4.374 2.028 -0.071 1.00 0.00 O ATOM 554 CB TYR A 35 -7.134 3.300 1.292 1.00 0.00 C ATOM 555 CG TYR A 35 -7.301 3.688 -0.163 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.422 2.693 -1.149 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.267 5.043 -0.540 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.468 3.051 -2.506 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.396 5.402 -1.893 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.502 4.404 -2.876 1.00 0.00 C ATOM 561 OH TYR A 35 -7.632 4.747 -4.190 1.00 0.00 O ATOM 0 H TYR A 35 -4.130 4.067 0.876 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.685 2.626 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.774 2.443 1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.485 4.121 1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.480 1.653 -0.863 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.142 5.809 0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.477 2.284 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.414 6.444 -2.176 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.639 5.723 -4.274 1.00 0.00 H new ATOM 571 N ALA A 36 -5.707 0.603 1.081 1.00 0.00 N ATOM 572 CA ALA A 36 -5.397 -0.599 0.314 1.00 0.00 C ATOM 573 C ALA A 36 -6.667 -1.239 -0.269 1.00 0.00 C ATOM 574 O ALA A 36 -7.350 -1.984 0.435 1.00 0.00 O ATOM 575 CB ALA A 36 -4.624 -1.565 1.214 1.00 0.00 C ATOM 0 H ALA A 36 -6.367 0.437 1.840 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.775 -0.338 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.384 -2.470 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.702 -1.091 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.235 -1.824 2.079 1.00 0.00 H new ATOM 581 N LYS A 37 -6.985 -0.957 -1.545 1.00 0.00 N ATOM 582 CA LYS A 37 -8.118 -1.549 -2.268 1.00 0.00 C ATOM 583 C LYS A 37 -7.667 -2.732 -3.123 1.00 0.00 C ATOM 584 O LYS A 37 -6.475 -3.001 -3.227 1.00 0.00 O ATOM 585 CB LYS A 37 -8.841 -0.497 -3.125 1.00 0.00 C ATOM 586 CG LYS A 37 -9.988 0.147 -2.332 1.00 0.00 C ATOM 587 CD LYS A 37 -10.603 1.325 -3.100 1.00 0.00 C ATOM 588 CE LYS A 37 -11.444 2.224 -2.182 1.00 0.00 C ATOM 589 NZ LYS A 37 -12.824 1.731 -2.019 1.00 0.00 N ATOM 0 H LYS A 37 -6.450 -0.298 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.826 -1.920 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.135 0.270 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.233 -0.963 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.757 -0.599 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.617 0.493 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.809 1.914 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.227 0.946 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.966 2.287 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.468 3.234 -2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.350 2.372 -1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.292 1.695 -2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.805 0.778 -1.603 1.00 0.00 H new ATOM 603 N ASN A 38 -8.632 -3.446 -3.720 1.00 0.00 N ATOM 604 CA ASN A 38 -8.394 -4.619 -4.554 1.00 0.00 C ATOM 605 C ASN A 38 -9.016 -4.392 -5.930 1.00 0.00 C ATOM 606 O ASN A 38 -10.127 -3.876 -6.031 1.00 0.00 O ATOM 607 CB ASN A 38 -8.943 -5.893 -3.896 1.00 0.00 C ATOM 608 CG ASN A 38 -8.348 -6.206 -2.531 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.809 -5.349 -1.840 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.488 -7.456 -2.105 1.00 0.00 N ATOM 0 H ASN A 38 -9.621 -3.213 -3.630 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.319 -4.761 -4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.024 -5.797 -3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.760 -6.738 -4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.143 -7.722 -1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.940 -8.150 -2.700 1.00 0.00 H new ATOM 617 N LEU A 39 -8.287 -4.784 -6.980 1.00 0.00 N ATOM 618 CA LEU A 39 -8.740 -4.734 -8.364 1.00 0.00 C ATOM 619 C LEU A 39 -9.731 -5.865 -8.643 1.00 0.00 C ATOM 620 O LEU A 39 -10.013 -6.690 -7.776 1.00 0.00 O ATOM 621 CB LEU A 39 -7.529 -4.802 -9.321 1.00 0.00 C ATOM 622 CG LEU A 39 -6.871 -3.436 -9.572 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.600 -3.605 -10.412 1.00 0.00 C ATOM 624 CD2 LEU A 39 -7.834 -2.493 -10.310 1.00 0.00 C ATOM 0 H LEU A 39 -7.341 -5.154 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.256 -3.789 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.786 -5.484 -8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.852 -5.222 -10.274 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.618 -3.004 -8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.144 -2.630 -10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.896 -4.247 -9.882 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.855 -4.059 -11.370 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.346 -1.532 -10.477 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.109 -2.932 -11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.731 -2.345 -9.708 1.00 0.00 H new ATOM 636 N ASP A 40 -10.260 -5.890 -9.869 1.00 0.00 N ATOM 637 CA ASP A 40 -11.174 -6.916 -10.353 1.00 0.00 C ATOM 638 C ASP A 40 -10.445 -7.940 -11.238 1.00 0.00 C ATOM 639 O ASP A 40 -11.092 -8.776 -11.866 1.00 0.00 O ATOM 640 CB ASP A 40 -12.322 -6.206 -11.084 1.00 0.00 C ATOM 641 CG ASP A 40 -13.489 -7.137 -11.406 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.108 -7.626 -10.437 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.750 -7.328 -12.614 1.00 0.00 O ATOM 0 H ASP A 40 -10.056 -5.176 -10.568 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.582 -7.493 -9.523 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.681 -5.381 -10.470 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.943 -5.773 -12.010 1.00 0.00 H new ATOM 648 N ASP A 41 -9.103 -7.892 -11.281 1.00 0.00 N ATOM 649 CA ASP A 41 -8.271 -8.748 -12.121 1.00 0.00 C ATOM 650 C ASP A 41 -7.492 -9.782 -11.298 1.00 0.00 C ATOM 651 O ASP A 41 -6.961 -10.734 -11.866 1.00 0.00 O ATOM 652 CB ASP A 41 -7.324 -7.870 -12.951 1.00 0.00 C ATOM 653 CG ASP A 41 -6.860 -8.584 -14.218 1.00 0.00 C ATOM 654 OD1 ASP A 41 -7.629 -8.542 -15.204 1.00 0.00 O ATOM 655 OD2 ASP A 41 -5.747 -9.152 -14.184 1.00 0.00 O ATOM 0 H ASP A 41 -8.560 -7.239 -10.716 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.920 -9.314 -12.789 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.829 -6.942 -13.220 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.458 -7.598 -12.348 1.00 0.00 H new ATOM 660 N GLY A 42 -7.427 -9.601 -9.970 1.00 0.00 N ATOM 661 CA GLY A 42 -6.728 -10.470 -9.041 1.00 0.00 C ATOM 662 C GLY A 42 -5.567 -9.793 -8.312 1.00 0.00 C ATOM 663 O GLY A 42 -4.786 -10.473 -7.651 1.00 0.00 O ATOM 0 H GLY A 42 -7.880 -8.813 -9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.439 -10.844 -8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.348 -11.335 -9.584 1.00 0.00 H new ATOM 667 N SER A 43 -5.455 -8.468 -8.426 1.00 0.00 N ATOM 668 CA SER A 43 -4.345 -7.662 -7.919 1.00 0.00 C ATOM 669 C SER A 43 -4.807 -6.694 -6.821 1.00 0.00 C ATOM 670 O SER A 43 -6.009 -6.493 -6.653 1.00 0.00 O ATOM 671 CB SER A 43 -3.710 -6.923 -9.103 1.00 0.00 C ATOM 672 OG SER A 43 -4.639 -6.675 -10.140 1.00 0.00 O ATOM 0 H SER A 43 -6.165 -7.905 -8.894 1.00 0.00 H new ATOM 0 HA SER A 43 -3.601 -8.309 -7.454 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.293 -5.977 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.881 -7.512 -9.494 1.00 0.00 H new ATOM 0 HG SER A 43 -4.193 -6.201 -10.873 1.00 0.00 H new ATOM 678 N VAL A 44 -3.856 -6.130 -6.051 1.00 0.00 N ATOM 679 CA VAL A 44 -4.145 -5.223 -4.936 1.00 0.00 C ATOM 680 C VAL A 44 -3.506 -3.849 -5.175 1.00 0.00 C ATOM 681 O VAL A 44 -2.371 -3.780 -5.647 1.00 0.00 O ATOM 682 CB VAL A 44 -3.722 -5.868 -3.595 1.00 0.00 C ATOM 683 CG1 VAL A 44 -2.254 -5.672 -3.220 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.552 -5.329 -2.430 1.00 0.00 C ATOM 0 H VAL A 44 -2.859 -6.296 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.220 -5.053 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.893 -6.931 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.054 -6.159 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.620 -6.110 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.039 -4.607 -3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.229 -5.803 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.414 -4.250 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.606 -5.549 -2.602 1.00 0.00 H new ATOM 694 N GLU A 45 -4.224 -2.763 -4.853 1.00 0.00 N ATOM 695 CA GLU A 45 -3.765 -1.387 -5.019 1.00 0.00 C ATOM 696 C GLU A 45 -3.519 -0.729 -3.662 1.00 0.00 C ATOM 697 O GLU A 45 -4.457 -0.620 -2.875 1.00 0.00 O ATOM 698 CB GLU A 45 -4.832 -0.554 -5.739 1.00 0.00 C ATOM 699 CG GLU A 45 -5.511 -1.285 -6.896 1.00 0.00 C ATOM 700 CD GLU A 45 -6.120 -0.271 -7.864 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.754 0.685 -7.366 1.00 0.00 O ATOM 702 OE2 GLU A 45 -5.914 -0.443 -9.082 1.00 0.00 O ATOM 0 H GLU A 45 -5.163 -2.825 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.842 -1.421 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.591 -0.252 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.372 0.358 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.787 -1.910 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.287 -1.948 -6.514 1.00 0.00 H new ATOM 709 N VAL A 46 -2.293 -0.261 -3.396 1.00 0.00 N ATOM 710 CA VAL A 46 -1.940 0.374 -2.126 1.00 0.00 C ATOM 711 C VAL A 46 -1.558 1.834 -2.380 1.00 0.00 C ATOM 712 O VAL A 46 -0.832 2.107 -3.328 1.00 0.00 O ATOM 713 CB VAL A 46 -0.778 -0.404 -1.489 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.346 0.206 -0.148 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.180 -1.865 -1.236 1.00 0.00 C ATOM 0 H VAL A 46 -1.519 -0.313 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.787 0.359 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 46 0.053 -0.351 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.478 -0.375 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.022 1.235 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.186 0.191 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.344 -2.399 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.036 -1.895 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.445 -2.338 -2.181 1.00 0.00 H new ATOM 725 N VAL A 47 -2.029 2.766 -1.544 1.00 0.00 N ATOM 726 CA VAL A 47 -1.771 4.200 -1.680 1.00 0.00 C ATOM 727 C VAL A 47 -1.217 4.744 -0.367 1.00 0.00 C ATOM 728 O VAL A 47 -1.640 4.283 0.693 1.00 0.00 O ATOM 729 CB VAL A 47 -3.069 4.948 -2.020 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.769 6.336 -2.590 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.946 4.181 -3.017 1.00 0.00 C ATOM 0 H VAL A 47 -2.612 2.538 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.049 4.350 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.618 5.042 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.705 6.844 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.212 6.918 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.176 6.236 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.850 4.754 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.394 4.029 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.218 3.214 -2.594 1.00 0.00 H new ATOM 741 N ALA A 48 -0.285 5.707 -0.434 1.00 0.00 N ATOM 742 CA ALA A 48 0.360 6.244 0.760 1.00 0.00 C ATOM 743 C ALA A 48 0.814 7.679 0.524 1.00 0.00 C ATOM 744 O ALA A 48 1.296 7.972 -0.566 1.00 0.00 O ATOM 745 CB ALA A 48 1.595 5.397 1.060 1.00 0.00 C ATOM 0 H ALA A 48 0.035 6.126 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.349 6.223 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.093 5.782 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.295 4.363 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.280 5.441 0.214 1.00 0.00 H new ATOM 751 N CYS A 49 0.689 8.540 1.540 1.00 0.00 N ATOM 752 CA CYS A 49 1.029 9.963 1.513 1.00 0.00 C ATOM 753 C CYS A 49 2.249 10.288 2.372 1.00 0.00 C ATOM 754 O CYS A 49 2.856 9.405 2.967 1.00 0.00 O ATOM 755 CB CYS A 49 -0.207 10.738 1.972 1.00 0.00 C ATOM 756 SG CYS A 49 -1.502 10.889 0.714 1.00 0.00 S ATOM 0 H CYS A 49 0.330 8.246 2.448 1.00 0.00 H new ATOM 0 HA CYS A 49 1.307 10.254 0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.625 10.245 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.100 11.737 2.283 1.00 0.00 H new ATOM 761 N GLY A 50 2.620 11.570 2.429 1.00 0.00 N ATOM 762 CA GLY A 50 3.753 12.034 3.214 1.00 0.00 C ATOM 763 C GLY A 50 5.023 11.989 2.375 1.00 0.00 C ATOM 764 O GLY A 50 4.954 12.097 1.153 1.00 0.00 O ATOM 0 H GLY A 50 2.136 12.314 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.573 13.051 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.871 11.411 4.101 1.00 0.00 H new ATOM 768 N GLU A 51 6.178 11.849 3.032 1.00 0.00 N ATOM 769 CA GLU A 51 7.473 11.832 2.368 1.00 0.00 C ATOM 770 C GLU A 51 7.748 10.432 1.822 1.00 0.00 C ATOM 771 O GLU A 51 7.577 9.456 2.548 1.00 0.00 O ATOM 772 CB GLU A 51 8.572 12.260 3.346 1.00 0.00 C ATOM 773 CG GLU A 51 8.275 13.625 3.983 1.00 0.00 C ATOM 774 CD GLU A 51 9.473 14.563 3.878 1.00 0.00 C ATOM 775 OE1 GLU A 51 10.442 14.335 4.633 1.00 0.00 O ATOM 776 OE2 GLU A 51 9.397 15.484 3.035 1.00 0.00 O ATOM 0 H GLU A 51 6.235 11.744 4.045 1.00 0.00 H new ATOM 0 HA GLU A 51 7.465 12.537 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.673 11.509 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.527 12.304 2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.413 14.077 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.009 13.488 5.031 1.00 0.00 H new ATOM 783 N GLU A 52 8.185 10.340 0.559 1.00 0.00 N ATOM 784 CA GLU A 52 8.461 9.079 -0.126 1.00 0.00 C ATOM 785 C GLU A 52 9.328 8.164 0.740 1.00 0.00 C ATOM 786 O GLU A 52 8.990 7.002 0.954 1.00 0.00 O ATOM 787 CB GLU A 52 9.141 9.345 -1.482 1.00 0.00 C ATOM 788 CG GLU A 52 8.426 8.596 -2.610 1.00 0.00 C ATOM 789 CD GLU A 52 9.107 8.831 -3.954 1.00 0.00 C ATOM 790 OE1 GLU A 52 10.131 8.158 -4.199 1.00 0.00 O ATOM 791 OE2 GLU A 52 8.594 9.685 -4.710 1.00 0.00 O ATOM 0 H GLU A 52 8.359 11.159 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 52 7.512 8.573 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.137 10.415 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.184 9.033 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.413 7.529 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.388 8.923 -2.665 1.00 0.00 H new ATOM 798 N GLY A 53 10.430 8.718 1.259 1.00 0.00 N ATOM 799 CA GLY A 53 11.351 8.055 2.154 1.00 0.00 C ATOM 800 C GLY A 53 10.636 7.403 3.336 1.00 0.00 C ATOM 801 O GLY A 53 10.824 6.212 3.571 1.00 0.00 O ATOM 0 H GLY A 53 10.704 9.678 1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.907 7.296 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.079 8.777 2.525 1.00 0.00 H new ATOM 805 N GLN A 54 9.810 8.177 4.058 1.00 0.00 N ATOM 806 CA GLN A 54 9.043 7.710 5.205 1.00 0.00 C ATOM 807 C GLN A 54 8.083 6.598 4.797 1.00 0.00 C ATOM 808 O GLN A 54 8.010 5.572 5.464 1.00 0.00 O ATOM 809 CB GLN A 54 8.260 8.851 5.871 1.00 0.00 C ATOM 810 CG GLN A 54 9.025 9.443 7.067 1.00 0.00 C ATOM 811 CD GLN A 54 8.132 10.319 7.946 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.349 11.522 8.052 1.00 0.00 O ATOM 813 NE2 GLN A 54 7.136 9.709 8.594 1.00 0.00 N ATOM 0 H GLN A 54 9.659 9.164 3.850 1.00 0.00 H new ATOM 0 HA GLN A 54 9.758 7.320 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.066 9.635 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.291 8.481 6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.441 8.634 7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.865 10.034 6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.991 8.706 8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.521 10.246 9.205 1.00 0.00 H new ATOM 822 N VAL A 55 7.355 6.789 3.697 1.00 0.00 N ATOM 823 CA VAL A 55 6.470 5.764 3.163 1.00 0.00 C ATOM 824 C VAL A 55 7.240 4.464 2.904 1.00 0.00 C ATOM 825 O VAL A 55 6.755 3.390 3.255 1.00 0.00 O ATOM 826 CB VAL A 55 5.754 6.279 1.905 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.890 5.181 1.284 1.00 0.00 C ATOM 828 CG2 VAL A 55 4.845 7.465 2.235 1.00 0.00 C ATOM 0 H VAL A 55 7.364 7.654 3.157 1.00 0.00 H new ATOM 0 HA VAL A 55 5.703 5.536 3.903 1.00 0.00 H new ATOM 0 HB VAL A 55 6.528 6.590 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.393 5.569 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.520 4.335 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.141 4.856 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.351 7.809 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.094 7.156 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.442 8.276 2.653 1.00 0.00 H new ATOM 838 N GLU A 56 8.449 4.546 2.337 1.00 0.00 N ATOM 839 CA GLU A 56 9.258 3.371 2.039 1.00 0.00 C ATOM 840 C GLU A 56 9.586 2.543 3.291 1.00 0.00 C ATOM 841 O GLU A 56 9.759 1.328 3.197 1.00 0.00 O ATOM 842 CB GLU A 56 10.527 3.753 1.267 1.00 0.00 C ATOM 843 CG GLU A 56 10.753 2.780 0.104 1.00 0.00 C ATOM 844 CD GLU A 56 12.200 2.812 -0.372 1.00 0.00 C ATOM 845 OE1 GLU A 56 13.018 2.121 0.273 1.00 0.00 O ATOM 846 OE2 GLU A 56 12.464 3.527 -1.363 1.00 0.00 O ATOM 0 H GLU A 56 8.888 5.428 2.075 1.00 0.00 H new ATOM 0 HA GLU A 56 8.654 2.729 1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.438 4.771 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.387 3.737 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.493 1.769 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.090 3.038 -0.722 1.00 0.00 H new ATOM 853 N LYS A 57 9.639 3.188 4.463 1.00 0.00 N ATOM 854 CA LYS A 57 9.949 2.541 5.733 1.00 0.00 C ATOM 855 C LYS A 57 8.925 1.469 6.107 1.00 0.00 C ATOM 856 O LYS A 57 9.271 0.556 6.852 1.00 0.00 O ATOM 857 CB LYS A 57 9.988 3.562 6.870 1.00 0.00 C ATOM 858 CG LYS A 57 10.852 4.803 6.614 1.00 0.00 C ATOM 859 CD LYS A 57 12.336 4.544 6.365 1.00 0.00 C ATOM 860 CE LYS A 57 13.006 3.879 7.571 1.00 0.00 C ATOM 861 NZ LYS A 57 13.258 2.449 7.329 1.00 0.00 N ATOM 0 H LYS A 57 9.464 4.189 4.551 1.00 0.00 H new ATOM 0 HA LYS A 57 10.925 2.074 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.969 3.887 7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.354 3.065 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.446 5.333 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.758 5.470 7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.452 3.908 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.838 5.486 6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.947 4.383 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.372 3.994 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.773 2.046 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.352 1.952 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.827 2.338 6.466 1.00 0.00 H new ATOM 875 N LEU A 58 7.676 1.595 5.636 1.00 0.00 N ATOM 876 CA LEU A 58 6.645 0.582 5.826 1.00 0.00 C ATOM 877 C LEU A 58 6.551 -0.333 4.606 1.00 0.00 C ATOM 878 O LEU A 58 6.191 -1.502 4.743 1.00 0.00 O ATOM 879 CB LEU A 58 5.305 1.236 6.185 1.00 0.00 C ATOM 880 CG LEU A 58 4.417 1.684 5.013 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.376 0.608 4.670 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.675 2.960 5.403 1.00 0.00 C ATOM 0 H LEU A 58 7.358 2.409 5.111 1.00 0.00 H new ATOM 0 HA LEU A 58 6.922 -0.052 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.736 0.533 6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.508 2.106 6.809 1.00 0.00 H new ATOM 0 HG LEU A 58 5.056 1.854 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.760 0.949 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.885 -0.315 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.743 0.424 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.044 3.282 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.055 2.767 6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.396 3.744 5.635 1.00 0.00 H new ATOM 894 N MET A 59 6.886 0.193 3.418 1.00 0.00 N ATOM 895 CA MET A 59 6.852 -0.570 2.180 1.00 0.00 C ATOM 896 C MET A 59 7.860 -1.715 2.200 1.00 0.00 C ATOM 897 O MET A 59 7.659 -2.688 1.477 1.00 0.00 O ATOM 898 CB MET A 59 7.021 0.318 0.942 1.00 0.00 C ATOM 899 CG MET A 59 6.008 1.472 0.876 1.00 0.00 C ATOM 900 SD MET A 59 4.742 1.356 -0.420 1.00 0.00 S ATOM 901 CE MET A 59 5.424 2.524 -1.630 1.00 0.00 C ATOM 0 H MET A 59 7.187 1.160 3.298 1.00 0.00 H new ATOM 0 HA MET A 59 5.858 -1.012 2.109 1.00 0.00 H new ATOM 0 HB2 MET A 59 8.030 0.729 0.934 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.920 -0.296 0.047 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.505 1.542 1.841 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.558 2.403 0.735 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.775 2.562 -2.505 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.488 3.516 -1.182 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.419 2.197 -1.931 1.00 0.00 H new ATOM 911 N GLN A 60 8.897 -1.638 3.040 1.00 0.00 N ATOM 912 CA GLN A 60 9.822 -2.742 3.245 1.00 0.00 C ATOM 913 C GLN A 60 9.044 -4.033 3.468 1.00 0.00 C ATOM 914 O GLN A 60 9.207 -4.991 2.686 1.00 0.00 O ATOM 915 CB GLN A 60 10.819 -2.396 4.369 1.00 0.00 C ATOM 916 CG GLN A 60 10.217 -2.053 5.742 1.00 0.00 C ATOM 917 CD GLN A 60 10.111 -3.225 6.718 1.00 0.00 C ATOM 918 OE1 GLN A 60 10.429 -4.365 6.389 1.00 0.00 O ATOM 919 NE2 GLN A 60 9.649 -2.935 7.936 1.00 0.00 N ATOM 0 H GLN A 60 9.113 -0.808 3.593 1.00 0.00 H new ATOM 0 HA GLN A 60 10.428 -2.907 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.496 -3.241 4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.422 -1.550 4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.823 -1.272 6.202 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.221 -1.636 5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.396 -1.975 8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.549 -3.673 8.633 1.00 0.00 H new ATOM 928 N TRP A 61 8.178 -4.087 4.469 1.00 0.00 N ATOM 929 CA TRP A 61 7.408 -5.266 4.800 1.00 0.00 C ATOM 930 C TRP A 61 6.434 -5.645 3.672 1.00 0.00 C ATOM 931 O TRP A 61 6.098 -6.814 3.519 1.00 0.00 O ATOM 932 CB TRP A 61 6.684 -5.046 6.138 1.00 0.00 C ATOM 933 CG TRP A 61 5.498 -5.925 6.343 1.00 0.00 C ATOM 934 CD1 TRP A 61 5.475 -7.204 6.768 1.00 0.00 C ATOM 935 CD2 TRP A 61 4.129 -5.585 6.021 1.00 0.00 C ATOM 936 NE1 TRP A 61 4.176 -7.683 6.735 1.00 0.00 N ATOM 937 CE2 TRP A 61 3.307 -6.723 6.262 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.524 -4.426 5.515 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.921 -6.694 6.026 1.00 0.00 C ATOM 940 CZ3 TRP A 61 2.136 -4.380 5.289 1.00 0.00 C ATOM 941 CH2 TRP A 61 1.337 -5.502 5.573 1.00 0.00 C ATOM 0 H TRP A 61 7.991 -3.294 5.083 1.00 0.00 H new ATOM 0 HA TRP A 61 8.087 -6.111 4.909 1.00 0.00 H new ATOM 0 HB2 TRP A 61 7.390 -5.212 6.952 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.366 -4.005 6.199 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.339 -7.769 7.086 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.899 -8.622 7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 61 4.130 -3.559 5.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 1.317 -7.574 6.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.683 -3.481 4.897 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.267 -5.445 5.441 1.00 0.00 H new ATOM 952 N LEU A 62 5.945 -4.671 2.880 1.00 0.00 N ATOM 953 CA LEU A 62 5.063 -4.955 1.749 1.00 0.00 C ATOM 954 C LEU A 62 5.824 -5.736 0.671 1.00 0.00 C ATOM 955 O LEU A 62 5.338 -6.769 0.216 1.00 0.00 O ATOM 956 CB LEU A 62 4.437 -3.664 1.177 1.00 0.00 C ATOM 957 CG LEU A 62 3.280 -3.083 2.017 1.00 0.00 C ATOM 958 CD1 LEU A 62 3.051 -1.588 1.747 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.953 -3.791 1.732 1.00 0.00 C ATOM 0 H LEU A 62 6.151 -3.680 3.010 1.00 0.00 H new ATOM 0 HA LEU A 62 4.239 -5.573 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.217 -2.908 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.071 -3.868 0.171 1.00 0.00 H new ATOM 0 HG LEU A 62 3.584 -3.236 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.226 -1.229 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.956 -1.031 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.808 -1.441 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.167 -3.350 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.699 -3.677 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.047 -4.851 1.970 1.00 0.00 H new ATOM 1101 N VAL A 72 3.100 -12.667 -6.476 1.00 0.00 N ATOM 1102 CA VAL A 72 3.419 -11.277 -6.783 1.00 0.00 C ATOM 1103 C VAL A 72 4.188 -11.235 -8.110 1.00 0.00 C ATOM 1104 O VAL A 72 5.413 -11.333 -8.118 1.00 0.00 O ATOM 1105 CB VAL A 72 4.232 -10.653 -5.625 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.603 -9.191 -5.916 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.466 -10.674 -4.294 1.00 0.00 C ATOM 0 HA VAL A 72 2.508 -10.689 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 72 5.130 -11.266 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.174 -8.787 -5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.205 -9.142 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.694 -8.605 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.080 -10.225 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.540 -10.108 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.233 -11.704 -4.024 1.00 0.00 H new ATOM 1117 N GLU A 73 3.468 -11.099 -9.231 1.00 0.00 N ATOM 1118 CA GLU A 73 4.060 -10.997 -10.561 1.00 0.00 C ATOM 1119 C GLU A 73 5.006 -9.802 -10.657 1.00 0.00 C ATOM 1120 O GLU A 73 6.144 -9.949 -11.101 1.00 0.00 O ATOM 1121 CB GLU A 73 2.969 -10.936 -11.646 1.00 0.00 C ATOM 1122 CG GLU A 73 3.335 -11.767 -12.883 1.00 0.00 C ATOM 1123 CD GLU A 73 2.217 -11.747 -13.923 1.00 0.00 C ATOM 1124 OE1 GLU A 73 1.685 -10.644 -14.173 1.00 0.00 O ATOM 1125 OE2 GLU A 73 1.917 -12.839 -14.454 1.00 0.00 O ATOM 0 H GLU A 73 2.449 -11.057 -9.235 1.00 0.00 H new ATOM 0 HA GLU A 73 4.651 -11.896 -10.733 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.027 -11.298 -11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.810 -9.899 -11.941 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.252 -11.378 -13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.537 -12.796 -12.585 1.00 0.00 H new ATOM 1132 N ARG A 74 4.530 -8.619 -10.247 1.00 0.00 N ATOM 1133 CA ARG A 74 5.303 -7.387 -10.311 1.00 0.00 C ATOM 1134 C ARG A 74 4.599 -6.278 -9.538 1.00 0.00 C ATOM 1135 O ARG A 74 3.412 -6.397 -9.239 1.00 0.00 O ATOM 1136 CB ARG A 74 5.489 -6.964 -11.775 1.00 0.00 C ATOM 1137 CG ARG A 74 6.945 -6.586 -12.063 1.00 0.00 C ATOM 1138 CD ARG A 74 7.099 -6.124 -13.517 1.00 0.00 C ATOM 1139 NE ARG A 74 6.491 -7.071 -14.464 1.00 0.00 N ATOM 1140 CZ ARG A 74 6.961 -8.295 -14.760 1.00 0.00 C ATOM 1141 NH1 ARG A 74 8.145 -8.711 -14.288 1.00 0.00 N ATOM 1142 NH2 ARG A 74 6.231 -9.111 -15.532 1.00 0.00 N ATOM 0 H ARG A 74 3.594 -8.497 -9.861 1.00 0.00 H new ATOM 0 HA ARG A 74 6.280 -7.563 -9.860 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.185 -7.778 -12.433 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.840 -6.117 -11.996 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.262 -5.792 -11.387 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.594 -7.442 -11.876 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.636 -5.144 -13.637 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.157 -6.008 -13.750 1.00 0.00 H new ATOM 0 HE ARG A 74 5.638 -6.773 -14.937 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.702 -8.096 -13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.488 -9.643 -14.521 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.327 -8.802 -15.890 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.579 -10.042 -15.762 1.00 0.00 H new ATOM 1156 N VAL A 75 5.341 -5.208 -9.226 1.00 0.00 N ATOM 1157 CA VAL A 75 4.857 -4.094 -8.424 1.00 0.00 C ATOM 1158 C VAL A 75 5.232 -2.767 -9.092 1.00 0.00 C ATOM 1159 O VAL A 75 6.411 -2.417 -9.124 1.00 0.00 O ATOM 1160 CB VAL A 75 5.424 -4.197 -6.998 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.662 -3.225 -6.090 1.00 0.00 C ATOM 1162 CG2 VAL A 75 5.289 -5.629 -6.461 1.00 0.00 C ATOM 0 H VAL A 75 6.308 -5.097 -9.532 1.00 0.00 H new ATOM 0 HA VAL A 75 3.770 -4.133 -8.355 1.00 0.00 H new ATOM 0 HB VAL A 75 6.483 -3.940 -7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.056 -3.290 -5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.784 -2.208 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.604 -3.485 -6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.696 -5.679 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.237 -5.913 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.838 -6.313 -7.108 1.00 0.00 H new ATOM 1172 N LEU A 76 4.242 -2.034 -9.619 1.00 0.00 N ATOM 1173 CA LEU A 76 4.434 -0.747 -10.291 1.00 0.00 C ATOM 1174 C LEU A 76 4.082 0.402 -9.346 1.00 0.00 C ATOM 1175 O LEU A 76 3.260 0.202 -8.458 1.00 0.00 O ATOM 1176 CB LEU A 76 3.515 -0.676 -11.519 1.00 0.00 C ATOM 1177 CG LEU A 76 4.162 0.103 -12.674 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.080 -0.823 -13.482 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.082 0.670 -13.599 1.00 0.00 C ATOM 0 H LEU A 76 3.266 -2.328 -9.588 1.00 0.00 H new ATOM 0 HA LEU A 76 5.478 -0.659 -10.592 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.275 -1.686 -11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.575 -0.200 -11.242 1.00 0.00 H new ATOM 0 HG LEU A 76 4.746 0.922 -12.255 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.534 -0.262 -14.299 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.862 -1.217 -12.833 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.497 -1.649 -13.889 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.553 1.220 -14.414 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.488 -0.147 -14.008 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.435 1.341 -13.034 1.00 0.00 H new ATOM 1191 N SER A 77 4.694 1.585 -9.534 1.00 0.00 N ATOM 1192 CA SER A 77 4.492 2.758 -8.678 1.00 0.00 C ATOM 1193 C SER A 77 4.338 4.043 -9.509 1.00 0.00 C ATOM 1194 O SER A 77 5.197 4.317 -10.347 1.00 0.00 O ATOM 1195 CB SER A 77 5.676 2.907 -7.707 1.00 0.00 C ATOM 1196 OG SER A 77 6.559 1.801 -7.744 1.00 0.00 O ATOM 0 H SER A 77 5.351 1.751 -10.296 1.00 0.00 H new ATOM 0 HA SER A 77 3.571 2.607 -8.115 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.228 3.815 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.295 3.028 -6.693 1.00 0.00 H new ATOM 0 HG SER A 77 7.293 1.947 -7.111 1.00 0.00 H new ATOM 1202 N GLU A 78 3.290 4.843 -9.254 1.00 0.00 N ATOM 1203 CA GLU A 78 2.955 6.067 -9.994 1.00 0.00 C ATOM 1204 C GLU A 78 2.711 7.234 -9.024 1.00 0.00 C ATOM 1205 O GLU A 78 2.397 7.003 -7.856 1.00 0.00 O ATOM 1206 CB GLU A 78 1.703 5.820 -10.862 1.00 0.00 C ATOM 1207 CG GLU A 78 1.994 5.663 -12.367 1.00 0.00 C ATOM 1208 CD GLU A 78 3.088 4.645 -12.673 1.00 0.00 C ATOM 1209 OE1 GLU A 78 2.978 3.516 -12.150 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.013 5.016 -13.427 1.00 0.00 O ATOM 0 H GLU A 78 2.631 4.647 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 78 3.792 6.331 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.200 4.921 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.010 6.649 -10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.078 5.364 -12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.285 6.631 -12.775 1.00 0.00 H new ATOM 1217 N PRO A 79 2.829 8.489 -9.497 1.00 0.00 N ATOM 1218 CA PRO A 79 2.624 9.693 -8.702 1.00 0.00 C ATOM 1219 C PRO A 79 1.140 9.891 -8.379 1.00 0.00 C ATOM 1220 O PRO A 79 0.294 9.788 -9.266 1.00 0.00 O ATOM 1221 CB PRO A 79 3.181 10.838 -9.553 1.00 0.00 C ATOM 1222 CG PRO A 79 2.956 10.351 -10.981 1.00 0.00 C ATOM 1223 CD PRO A 79 3.192 8.847 -10.859 1.00 0.00 C ATOM 0 HA PRO A 79 3.128 9.638 -7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.658 11.775 -9.360 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.237 11.014 -9.349 1.00 0.00 H new ATOM 0 HG2 PRO A 79 1.949 10.576 -11.333 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.650 10.815 -11.682 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.587 8.298 -11.580 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.234 8.599 -11.062 1.00 0.00 H new ATOM 1231 N HIS A 80 0.832 10.168 -7.104 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.523 10.341 -6.599 1.00 0.00 C ATOM 1233 C HIS A 80 -0.672 11.740 -5.995 1.00 0.00 C ATOM 1234 O HIS A 80 -0.025 12.052 -5.001 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.811 9.246 -5.555 1.00 0.00 C ATOM 1236 CG HIS A 80 -2.263 8.866 -5.458 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.950 8.266 -6.501 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -3.129 8.996 -4.403 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -4.198 8.050 -6.055 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.352 8.485 -4.794 1.00 0.00 N ATOM 0 H HIS A 80 1.543 10.279 -6.382 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.245 10.247 -7.410 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.229 8.359 -5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.469 9.589 -4.579 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.897 9.422 -3.438 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.980 7.585 -6.637 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.204 8.446 -4.235 1.00 0.00 H new ATOM 1249 N HIS A 81 -1.513 12.598 -6.583 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.698 13.962 -6.091 1.00 0.00 C ATOM 1251 C HIS A 81 -3.169 14.219 -5.731 1.00 0.00 C ATOM 1252 O HIS A 81 -3.817 15.043 -6.375 1.00 0.00 O ATOM 1253 CB HIS A 81 -1.153 14.924 -7.161 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.656 16.245 -6.623 1.00 0.00 C ATOM 1255 ND1 HIS A 81 -1.317 16.974 -5.645 1.00 0.00 N ATOM 1256 CD2 HIS A 81 0.492 16.923 -6.947 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -0.562 18.062 -5.413 1.00 0.00 C ATOM 1258 NE2 HIS A 81 0.539 18.072 -6.183 1.00 0.00 N ATOM 0 H HIS A 81 -2.076 12.368 -7.402 1.00 0.00 H new ATOM 0 HA HIS A 81 -1.145 14.125 -5.166 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.337 14.432 -7.691 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.938 15.116 -7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.229 16.612 -7.672 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.810 18.832 -4.697 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.266 18.787 -6.200 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.719 13.527 -4.717 1.00 0.00 N ATOM 1268 CA PRO A 82 -5.132 13.606 -4.371 1.00 0.00 C ATOM 1269 C PRO A 82 -5.458 14.971 -3.760 1.00 0.00 C ATOM 1270 O PRO A 82 -4.652 15.531 -3.019 1.00 0.00 O ATOM 1271 CB PRO A 82 -5.372 12.463 -3.379 1.00 0.00 C ATOM 1272 CG PRO A 82 -4.014 12.306 -2.697 1.00 0.00 C ATOM 1273 CD PRO A 82 -3.035 12.601 -3.834 1.00 0.00 C ATOM 0 HA PRO A 82 -5.779 13.507 -5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.157 12.708 -2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.677 11.547 -3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.894 13.003 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.876 11.303 -2.293 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.112 13.036 -3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.762 11.687 -4.362 1.00 0.00 H new ATOM 1281 N SER A 83 -6.640 15.508 -4.090 1.00 0.00 N ATOM 1282 CA SER A 83 -7.107 16.790 -3.582 1.00 0.00 C ATOM 1283 C SER A 83 -7.452 16.690 -2.094 1.00 0.00 C ATOM 1284 O SER A 83 -7.972 15.671 -1.639 1.00 0.00 O ATOM 1285 CB SER A 83 -8.307 17.280 -4.401 1.00 0.00 C ATOM 1286 OG SER A 83 -9.354 16.333 -4.393 1.00 0.00 O ATOM 0 H SER A 83 -7.299 15.055 -4.723 1.00 0.00 H new ATOM 0 HA SER A 83 -6.305 17.521 -3.686 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.666 18.226 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.995 17.472 -5.428 1.00 0.00 H new ATOM 0 HG SER A 83 -10.106 16.673 -4.921 1.00 0.00 H new ATOM 1292 N GLY A 84 -7.143 17.754 -1.343 1.00 0.00 N ATOM 1293 CA GLY A 84 -7.317 17.816 0.101 1.00 0.00 C ATOM 1294 C GLY A 84 -6.365 16.873 0.836 1.00 0.00 C ATOM 1295 O GLY A 84 -5.690 16.044 0.226 1.00 0.00 O ATOM 0 H GLY A 84 -6.757 18.612 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.150 18.838 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.346 17.560 0.353 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.324 17.011 2.164 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.532 16.153 3.033 1.00 0.00 C ATOM 1301 C GLU A 85 -6.407 15.000 3.523 1.00 0.00 C ATOM 1302 O GLU A 85 -7.560 15.210 3.900 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.906 16.969 4.175 1.00 0.00 C ATOM 1304 CG GLU A 85 -5.882 17.338 5.298 1.00 0.00 C ATOM 1305 CD GLU A 85 -5.233 18.301 6.286 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -4.504 17.803 7.172 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -5.463 19.519 6.128 1.00 0.00 O ATOM 0 H GLU A 85 -6.846 17.730 2.665 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.696 15.722 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.079 16.400 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.483 17.885 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.776 17.794 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.201 16.436 5.819 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.870 13.776 3.493 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.583 12.592 3.948 1.00 0.00 C ATOM 1316 C LEU A 86 -6.563 12.546 5.477 1.00 0.00 C ATOM 1317 O LEU A 86 -5.617 13.027 6.101 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.934 11.354 3.319 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.663 10.025 3.582 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -8.123 10.034 3.115 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.937 8.930 2.801 1.00 0.00 C ATOM 0 H LEU A 86 -4.928 13.585 3.151 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.627 12.619 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.868 11.506 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.913 11.270 3.692 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.659 9.858 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.580 9.068 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.668 10.818 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.161 10.223 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.433 7.974 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.957 9.168 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.903 8.867 3.139 1.00 0.00 H new ATOM 1333 N THR A 87 -7.613 11.975 6.077 1.00 0.00 N ATOM 1334 CA THR A 87 -7.767 11.858 7.516 1.00 0.00 C ATOM 1335 C THR A 87 -6.808 10.779 8.020 1.00 0.00 C ATOM 1336 O THR A 87 -5.773 11.100 8.601 1.00 0.00 O ATOM 1337 CB THR A 87 -9.246 11.570 7.869 1.00 0.00 C ATOM 1338 OG1 THR A 87 -10.000 11.257 6.711 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.885 12.770 8.574 1.00 0.00 C ATOM 0 H THR A 87 -8.393 11.575 5.556 1.00 0.00 H new ATOM 0 HA THR A 87 -7.511 12.792 8.015 1.00 0.00 H new ATOM 0 HB THR A 87 -9.253 10.711 8.540 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.930 11.078 6.964 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.924 12.542 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.341 12.983 9.494 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.845 13.640 7.919 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.154 9.508 7.787 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.430 8.354 8.308 1.00 0.00 C ATOM 1349 C ASP A 88 -6.378 7.251 7.251 1.00 0.00 C ATOM 1350 O ASP A 88 -7.159 7.259 6.299 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.111 7.835 9.586 1.00 0.00 C ATOM 1352 CG ASP A 88 -7.339 8.931 10.625 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -6.390 9.200 11.392 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.462 9.481 10.634 1.00 0.00 O ATOM 0 H ASP A 88 -7.962 9.253 7.219 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.412 8.655 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.068 7.385 9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.498 7.048 10.024 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.468 6.287 7.433 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.376 5.114 6.574 1.00 0.00 C ATOM 1361 C PHE A 89 -6.561 4.174 6.816 1.00 0.00 C ATOM 1362 O PHE A 89 -7.040 4.056 7.943 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.027 4.416 6.782 1.00 0.00 C ATOM 1364 CG PHE A 89 -3.873 3.092 6.060 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -3.403 3.043 4.732 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -4.233 1.901 6.714 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -3.301 1.809 4.064 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -4.163 0.677 6.033 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.688 0.625 4.714 1.00 0.00 C ATOM 0 H PHE A 89 -4.776 6.304 8.183 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.427 5.426 5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.233 5.087 6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.882 4.250 7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.121 3.955 4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.564 1.929 7.742 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.925 1.772 3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.477 -0.231 6.527 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.620 -0.322 4.200 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.026 3.505 5.752 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.135 2.553 5.802 1.00 0.00 C ATOM 1381 C ARG A 90 -7.853 1.372 4.868 1.00 0.00 C ATOM 1382 O ARG A 90 -6.740 1.223 4.370 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.457 3.275 5.488 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.578 3.612 3.998 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.583 4.733 3.729 1.00 0.00 C ATOM 1386 NE ARG A 90 -10.784 4.907 2.283 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.820 5.544 1.711 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.755 6.146 2.460 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.920 5.574 0.375 1.00 0.00 N ATOM 0 H ARG A 90 -6.632 3.615 4.818 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.234 2.140 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.295 2.646 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.520 4.191 6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.601 3.906 3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.880 2.719 3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.534 4.500 4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.224 5.664 4.167 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.078 4.511 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.685 6.124 3.477 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.536 6.626 2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.213 5.116 -0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.703 6.055 -0.067 1.00 0.00 H new ATOM 1403 N ILE A 91 -8.855 0.515 4.639 1.00 0.00 N ATOM 1404 CA ILE A 91 -8.731 -0.679 3.811 1.00 0.00 C ATOM 1405 C ILE A 91 -10.029 -0.861 3.012 1.00 0.00 C ATOM 1406 O ILE A 91 -11.018 -0.187 3.298 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.414 -1.914 4.689 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -7.679 -1.591 6.007 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -7.537 -2.875 3.887 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -7.362 -2.823 6.866 1.00 0.00 C ATOM 0 H ILE A 91 -9.788 0.638 5.033 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.903 -0.568 3.110 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.378 -2.345 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.748 -1.074 5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.289 -0.901 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.306 -3.750 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.068 -3.187 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.611 -2.374 3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.846 -2.511 7.774 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.290 -3.329 7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.725 -3.505 6.303 1.00 0.00 H new