USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -0.635 F(o=-1.6!,f=-0.63) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0965) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -163:sc=-0.00764 (180deg=-0.197) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 30 GLN : amide:sc= -0.0426 K(o=-0.043,f=-2.4!) USER MOD Single : A 31 ASN : amide:sc= -0.131 K(o=-0.13,f=-3.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 107:sc= 1.21 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.7!) USER MOD Single : A 74 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.344 15.965 -1.214 1.00 0.00 N ATOM 67 CA SER A 8 5.484 15.196 -0.321 1.00 0.00 C ATOM 68 C SER A 8 4.388 14.479 -1.105 1.00 0.00 C ATOM 69 O SER A 8 4.275 13.254 -1.056 1.00 0.00 O ATOM 70 CB SER A 8 4.858 16.111 0.733 1.00 0.00 C ATOM 71 OG SER A 8 5.730 16.291 1.835 1.00 0.00 O ATOM 0 HA SER A 8 6.099 14.447 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.626 17.078 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.916 15.684 1.077 1.00 0.00 H new ATOM 0 HG SER A 8 5.307 16.881 2.494 1.00 0.00 H new ATOM 77 N ILE A 9 3.584 15.253 -1.827 1.00 0.00 N ATOM 78 CA ILE A 9 2.499 14.694 -2.622 1.00 0.00 C ATOM 79 C ILE A 9 2.976 13.499 -3.441 1.00 0.00 C ATOM 80 O ILE A 9 2.498 12.378 -3.262 1.00 0.00 O ATOM 81 CB ILE A 9 1.897 15.745 -3.572 1.00 0.00 C ATOM 82 CG1 ILE A 9 1.321 16.916 -2.773 1.00 0.00 C ATOM 83 CG2 ILE A 9 0.823 15.116 -4.448 1.00 0.00 C ATOM 84 CD1 ILE A 9 0.287 17.717 -3.533 1.00 0.00 C ATOM 0 H ILE A 9 3.664 16.269 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 9 1.731 14.368 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 9 2.689 16.124 -4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.871 16.533 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.135 17.578 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.407 15.872 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.261 14.312 -5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.030 14.712 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.077 18.530 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.738 18.130 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.546 17.069 -3.807 1.00 0.00 H new ATOM 96 N LEU A 10 3.923 13.746 -4.339 1.00 0.00 N ATOM 97 CA LEU A 10 4.468 12.689 -5.186 1.00 0.00 C ATOM 98 C LEU A 10 4.739 11.427 -4.374 1.00 0.00 C ATOM 99 O LEU A 10 4.079 10.403 -4.558 1.00 0.00 O ATOM 100 CB LEU A 10 5.756 13.163 -5.860 1.00 0.00 C ATOM 101 CG LEU A 10 5.588 13.893 -7.194 1.00 0.00 C ATOM 102 CD1 LEU A 10 6.739 14.860 -7.422 1.00 0.00 C ATOM 103 CD2 LEU A 10 5.493 12.894 -8.339 1.00 0.00 C ATOM 0 H LEU A 10 4.330 14.668 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 10 3.730 12.453 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.281 13.824 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.398 12.297 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 10 4.661 14.466 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.602 15.370 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.762 15.595 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.679 14.309 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.374 13.430 -9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.403 12.295 -8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.634 12.241 -8.182 1.00 0.00 H new ATOM 115 N LYS A 11 5.714 11.506 -3.475 1.00 0.00 N ATOM 116 CA LYS A 11 6.072 10.371 -2.631 1.00 0.00 C ATOM 117 C LYS A 11 4.837 9.549 -2.273 1.00 0.00 C ATOM 118 O LYS A 11 4.813 8.333 -2.465 1.00 0.00 O ATOM 119 CB LYS A 11 6.764 10.856 -1.356 1.00 0.00 C ATOM 120 CG LYS A 11 8.270 10.992 -1.496 1.00 0.00 C ATOM 121 CD LYS A 11 8.932 11.260 -0.154 1.00 0.00 C ATOM 122 CE LYS A 11 8.928 12.743 0.184 1.00 0.00 C ATOM 123 NZ LYS A 11 9.205 12.983 1.627 1.00 0.00 N ATOM 0 H LYS A 11 6.271 12.345 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 11 6.759 9.736 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.345 11.821 -1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.544 10.160 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.680 10.080 -1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.501 11.804 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.411 10.706 0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.958 10.893 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.677 13.255 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.961 13.172 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.194 14.005 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.476 12.516 2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.139 12.596 1.870 1.00 0.00 H new ATOM 137 N ILE A 12 3.816 10.221 -1.753 1.00 0.00 N ATOM 138 CA ILE A 12 2.579 9.554 -1.370 1.00 0.00 C ATOM 139 C ILE A 12 1.949 8.837 -2.561 1.00 0.00 C ATOM 140 O ILE A 12 1.515 7.691 -2.449 1.00 0.00 O ATOM 141 CB ILE A 12 1.558 10.548 -0.787 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.151 11.269 0.425 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.274 9.828 -0.406 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.490 12.596 0.724 1.00 0.00 C ATOM 0 H ILE A 12 3.821 11.227 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 12 2.840 8.824 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 12 1.321 11.291 -1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.064 10.624 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.215 11.433 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.437 10.545 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.155 9.357 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.493 9.065 0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.962 13.049 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.600 13.259 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.431 12.437 0.927 1.00 0.00 H new ATOM 156 N GLU A 13 1.907 9.520 -3.700 1.00 0.00 N ATOM 157 CA GLU A 13 1.332 8.947 -4.912 1.00 0.00 C ATOM 158 C GLU A 13 2.028 7.640 -5.280 1.00 0.00 C ATOM 159 O GLU A 13 1.458 6.791 -5.964 1.00 0.00 O ATOM 160 CB GLU A 13 1.442 9.939 -6.073 1.00 0.00 C ATOM 161 CG GLU A 13 0.308 10.950 -6.117 1.00 0.00 C ATOM 162 CD GLU A 13 0.049 11.474 -7.516 1.00 0.00 C ATOM 163 OE1 GLU A 13 -0.445 10.697 -8.360 1.00 0.00 O ATOM 164 OE2 GLU A 13 0.339 12.663 -7.767 1.00 0.00 O ATOM 0 H GLU A 13 2.264 10.469 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 13 0.280 8.737 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.390 10.472 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.462 9.386 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.601 10.488 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.545 11.785 -5.458 1.00 0.00 H new ATOM 171 N LYS A 14 3.265 7.485 -4.819 1.00 0.00 N ATOM 172 CA LYS A 14 4.040 6.282 -5.097 1.00 0.00 C ATOM 173 C LYS A 14 3.554 5.112 -4.246 1.00 0.00 C ATOM 174 O LYS A 14 3.391 3.998 -4.741 1.00 0.00 O ATOM 175 CB LYS A 14 5.526 6.535 -4.833 1.00 0.00 C ATOM 176 CG LYS A 14 6.023 7.863 -5.378 1.00 0.00 C ATOM 177 CD LYS A 14 5.967 7.899 -6.896 1.00 0.00 C ATOM 178 CE LYS A 14 7.173 7.209 -7.513 1.00 0.00 C ATOM 179 NZ LYS A 14 6.860 6.638 -8.853 1.00 0.00 N ATOM 0 H LYS A 14 3.752 8.178 -4.251 1.00 0.00 H new ATOM 0 HA LYS A 14 3.902 6.026 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.706 6.502 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.108 5.728 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.418 8.673 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.047 8.033 -5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.053 7.414 -7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.925 8.934 -7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.992 7.922 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.515 6.414 -6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.742 6.343 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.235 5.814 -8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.385 7.357 -9.434 1.00 0.00 H new ATOM 193 N VAL A 15 3.324 5.375 -2.964 1.00 0.00 N ATOM 194 CA VAL A 15 2.854 4.346 -2.045 1.00 0.00 C ATOM 195 C VAL A 15 1.574 3.694 -2.558 1.00 0.00 C ATOM 196 O VAL A 15 1.243 2.569 -2.179 1.00 0.00 O ATOM 197 CB VAL A 15 2.594 4.923 -0.640 1.00 0.00 C ATOM 198 CG1 VAL A 15 2.399 3.802 0.370 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.735 5.837 -0.222 1.00 0.00 C ATOM 0 H VAL A 15 3.456 6.292 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 15 3.642 3.595 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 15 1.678 5.514 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.217 4.229 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.546 3.191 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.295 3.182 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.536 6.236 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.667 5.272 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.821 6.659 -0.932 1.00 0.00 H new ATOM 209 N LEU A 16 0.860 4.405 -3.422 1.00 0.00 N ATOM 210 CA LEU A 16 -0.384 3.895 -3.989 1.00 0.00 C ATOM 211 C LEU A 16 -0.160 3.356 -5.398 1.00 0.00 C ATOM 212 O LEU A 16 -0.699 2.315 -5.771 1.00 0.00 O ATOM 213 CB LEU A 16 -1.445 4.997 -4.015 1.00 0.00 C ATOM 214 CG LEU A 16 -1.848 5.572 -2.657 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.549 6.911 -2.832 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.741 4.595 -1.908 1.00 0.00 C ATOM 0 H LEU A 16 1.120 5.337 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.733 3.077 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.078 5.813 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.338 4.603 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.944 5.732 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.829 7.306 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.877 7.612 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.444 6.776 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.018 5.021 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.641 4.404 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.205 3.659 -1.751 1.00 0.00 H new ATOM 228 N LYS A 17 0.643 4.072 -6.179 1.00 0.00 N ATOM 229 CA LYS A 17 0.944 3.665 -7.547 1.00 0.00 C ATOM 230 C LYS A 17 1.242 2.171 -7.617 1.00 0.00 C ATOM 231 O LYS A 17 0.743 1.469 -8.496 1.00 0.00 O ATOM 232 CB LYS A 17 2.135 4.460 -8.087 1.00 0.00 C ATOM 233 CG LYS A 17 2.592 4.010 -9.464 1.00 0.00 C ATOM 234 CD LYS A 17 3.441 5.071 -10.144 1.00 0.00 C ATOM 235 CE LYS A 17 4.031 4.560 -11.449 1.00 0.00 C ATOM 236 NZ LYS A 17 5.273 3.770 -11.224 1.00 0.00 N ATOM 0 H LYS A 17 1.097 4.938 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 17 0.068 3.872 -8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.867 5.516 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.968 4.370 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.165 3.087 -9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.722 3.787 -10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.833 5.955 -10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.245 5.379 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.295 3.941 -11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.251 5.404 -12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.644 3.439 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.985 4.367 -10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.059 2.951 -10.621 1.00 0.00 H new ATOM 250 N ARG A 18 2.059 1.691 -6.684 1.00 0.00 N ATOM 251 CA ARG A 18 2.422 0.280 -6.641 1.00 0.00 C ATOM 252 C ARG A 18 1.284 -0.557 -6.065 1.00 0.00 C ATOM 253 O ARG A 18 0.922 -1.596 -6.621 1.00 0.00 O ATOM 254 CB ARG A 18 3.688 0.084 -5.804 1.00 0.00 C ATOM 255 CG ARG A 18 4.974 0.198 -6.607 1.00 0.00 C ATOM 256 CD ARG A 18 5.387 -1.144 -7.191 1.00 0.00 C ATOM 257 NE ARG A 18 6.729 -1.100 -7.766 1.00 0.00 N ATOM 258 CZ ARG A 18 7.268 -2.103 -8.449 1.00 0.00 C ATOM 259 NH1 ARG A 18 6.584 -3.222 -8.643 1.00 0.00 N ATOM 260 NH2 ARG A 18 8.496 -1.988 -8.941 1.00 0.00 N ATOM 0 H ARG A 18 2.481 2.258 -5.949 1.00 0.00 H new ATOM 0 HA ARG A 18 2.613 -0.052 -7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.703 0.824 -5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.652 -0.897 -5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.839 0.920 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.771 0.579 -5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.351 -1.905 -6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.673 -1.440 -7.959 1.00 0.00 H new ATOM 0 HE ARG A 18 7.282 -0.253 -7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.640 -3.315 -8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.001 -3.990 -9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.026 -1.129 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.909 -2.759 -9.466 1.00 0.00 H new ATOM 274 N MET A 19 0.724 -0.100 -4.951 1.00 0.00 N ATOM 275 CA MET A 19 -0.373 -0.807 -4.301 1.00 0.00 C ATOM 276 C MET A 19 -1.421 -1.240 -5.322 1.00 0.00 C ATOM 277 O MET A 19 -1.731 -2.425 -5.442 1.00 0.00 O ATOM 278 CB MET A 19 -1.018 0.079 -3.234 1.00 0.00 C ATOM 279 CG MET A 19 -2.124 -0.615 -2.455 1.00 0.00 C ATOM 280 SD MET A 19 -3.739 -0.444 -3.239 1.00 0.00 S ATOM 281 CE MET A 19 -4.122 1.263 -2.858 1.00 0.00 C ATOM 0 H MET A 19 1.012 0.757 -4.479 1.00 0.00 H new ATOM 0 HA MET A 19 0.034 -1.699 -3.824 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.249 0.413 -2.538 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.425 0.970 -3.711 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.883 -1.673 -2.355 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.168 -0.201 -1.447 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.188 1.437 -3.001 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.856 1.473 -1.822 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.555 1.919 -3.519 1.00 0.00 H new ATOM 291 N ARG A 20 -1.962 -0.272 -6.054 1.00 0.00 N ATOM 292 CA ARG A 20 -2.976 -0.553 -7.063 1.00 0.00 C ATOM 293 C ARG A 20 -2.459 -1.557 -8.089 1.00 0.00 C ATOM 294 O ARG A 20 -3.036 -2.628 -8.268 1.00 0.00 O ATOM 295 CB ARG A 20 -3.400 0.738 -7.765 1.00 0.00 C ATOM 296 CG ARG A 20 -4.376 1.578 -6.960 1.00 0.00 C ATOM 297 CD ARG A 20 -5.803 1.075 -7.112 1.00 0.00 C ATOM 298 NE ARG A 20 -6.475 1.675 -8.263 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.899 2.933 -8.291 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.722 3.721 -7.239 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.502 3.406 -9.374 1.00 0.00 N ATOM 0 H ARG A 20 -1.715 0.714 -5.967 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.841 -0.986 -6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.512 1.333 -7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.854 0.488 -8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.093 1.558 -5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.319 2.616 -7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.795 -0.009 -7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.365 1.300 -6.206 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.626 1.096 -9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.259 3.361 -6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.049 4.687 -7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.640 2.803 -10.185 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.828 4.372 -9.395 1.00 0.00 H new ATOM 315 N GLU A 21 -1.367 -1.201 -8.758 1.00 0.00 N ATOM 316 CA GLU A 21 -0.773 -2.071 -9.767 1.00 0.00 C ATOM 317 C GLU A 21 -0.640 -3.499 -9.244 1.00 0.00 C ATOM 318 O GLU A 21 -1.265 -4.423 -9.764 1.00 0.00 O ATOM 319 CB GLU A 21 0.599 -1.540 -10.186 1.00 0.00 C ATOM 320 CG GLU A 21 0.540 -0.530 -11.321 1.00 0.00 C ATOM 321 CD GLU A 21 1.901 -0.261 -11.934 1.00 0.00 C ATOM 322 OE1 GLU A 21 2.753 -1.173 -11.907 1.00 0.00 O ATOM 323 OE2 GLU A 21 2.112 0.859 -12.441 1.00 0.00 O ATOM 0 H GLU A 21 -0.876 -0.318 -8.620 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.432 -2.080 -10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.079 -1.077 -9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.227 -2.378 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.136 -0.896 -12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.122 0.405 -10.949 1.00 0.00 H new ATOM 330 N ILE A 22 0.180 -3.670 -8.212 1.00 0.00 N ATOM 331 CA ILE A 22 0.396 -4.984 -7.618 1.00 0.00 C ATOM 332 C ILE A 22 -0.925 -5.720 -7.420 1.00 0.00 C ATOM 333 O ILE A 22 -1.047 -6.900 -7.752 1.00 0.00 O ATOM 334 CB ILE A 22 1.120 -4.877 -6.263 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.484 -4.207 -6.441 1.00 0.00 C ATOM 336 CG2 ILE A 22 1.279 -6.255 -5.638 1.00 0.00 C ATOM 337 CD1 ILE A 22 3.098 -3.732 -5.142 1.00 0.00 C ATOM 0 H ILE A 22 0.705 -2.916 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 22 1.022 -5.546 -8.311 1.00 0.00 H new ATOM 0 HB ILE A 22 0.518 -4.262 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.165 -4.910 -6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.377 -3.357 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.792 -6.163 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.296 -6.699 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.863 -6.891 -6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.063 -3.268 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.437 -3.004 -4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.237 -4.581 -4.473 1.00 0.00 H new ATOM 349 N LYS A 23 -1.913 -5.017 -6.876 1.00 0.00 N ATOM 350 CA LYS A 23 -3.227 -5.601 -6.634 1.00 0.00 C ATOM 351 C LYS A 23 -3.721 -6.354 -7.865 1.00 0.00 C ATOM 352 O LYS A 23 -3.944 -7.563 -7.816 1.00 0.00 O ATOM 353 CB LYS A 23 -4.230 -4.511 -6.254 1.00 0.00 C ATOM 354 CG LYS A 23 -5.508 -5.049 -5.634 1.00 0.00 C ATOM 355 CD LYS A 23 -6.535 -3.949 -5.428 1.00 0.00 C ATOM 356 CE LYS A 23 -7.694 -4.424 -4.566 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.932 -3.636 -4.819 1.00 0.00 N ATOM 0 H LYS A 23 -1.828 -4.040 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.137 -6.307 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.758 -3.823 -5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.483 -3.935 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.927 -5.823 -6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.279 -5.518 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.059 -3.089 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.912 -3.616 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.887 -5.478 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.421 -4.344 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.699 -3.990 -4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.756 -2.634 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.207 -3.733 -5.817 1.00 0.00 H new ATOM 371 N ASN A 24 -3.889 -5.632 -8.968 1.00 0.00 N ATOM 372 CA ASN A 24 -4.355 -6.233 -10.212 1.00 0.00 C ATOM 373 C ASN A 24 -3.546 -7.480 -10.551 1.00 0.00 C ATOM 374 O ASN A 24 -4.106 -8.519 -10.898 1.00 0.00 O ATOM 375 CB ASN A 24 -4.261 -5.223 -11.358 1.00 0.00 C ATOM 376 CG ASN A 24 -5.227 -5.536 -12.485 1.00 0.00 C ATOM 377 OD1 ASN A 24 -4.834 -6.066 -13.524 1.00 0.00 O ATOM 378 ND2 ASN A 24 -6.498 -5.207 -12.284 1.00 0.00 N ATOM 0 H ASN A 24 -3.709 -4.630 -9.026 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.397 -6.524 -10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.465 -4.223 -10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.243 -5.213 -11.748 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.193 -5.392 -13.007 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.779 -4.769 -11.407 1.00 0.00 H new ATOM 385 N GLU A 25 -2.225 -7.368 -10.448 1.00 0.00 N ATOM 386 CA GLU A 25 -1.339 -8.488 -10.744 1.00 0.00 C ATOM 387 C GLU A 25 -1.701 -9.706 -9.900 1.00 0.00 C ATOM 388 O GLU A 25 -1.610 -10.845 -10.362 1.00 0.00 O ATOM 389 CB GLU A 25 0.118 -8.094 -10.491 1.00 0.00 C ATOM 390 CG GLU A 25 1.116 -9.174 -10.875 1.00 0.00 C ATOM 391 CD GLU A 25 1.491 -9.125 -12.343 1.00 0.00 C ATOM 392 OE1 GLU A 25 0.586 -8.948 -13.183 1.00 0.00 O ATOM 393 OE2 GLU A 25 2.694 -9.266 -12.651 1.00 0.00 O ATOM 0 H GLU A 25 -1.746 -6.514 -10.162 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.461 -8.747 -11.796 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.343 -7.187 -11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.243 -7.855 -9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.016 -9.064 -10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.694 -10.152 -10.644 1.00 0.00 H new ATOM 400 N LEU A 26 -2.112 -9.460 -8.661 1.00 0.00 N ATOM 401 CA LEU A 26 -2.488 -10.536 -7.752 1.00 0.00 C ATOM 402 C LEU A 26 -3.899 -11.033 -8.049 1.00 0.00 C ATOM 403 O LEU A 26 -4.179 -12.229 -7.961 1.00 0.00 O ATOM 404 CB LEU A 26 -2.398 -10.059 -6.301 1.00 0.00 C ATOM 405 CG LEU A 26 -3.323 -10.761 -5.306 1.00 0.00 C ATOM 406 CD1 LEU A 26 -2.830 -12.170 -5.019 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.426 -9.958 -4.017 1.00 0.00 C ATOM 0 H LEU A 26 -2.193 -8.524 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.793 -11.363 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.370 -10.184 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.614 -8.991 -6.276 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.316 -10.830 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.501 -12.653 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.808 -12.744 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.826 -12.125 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.088 -10.472 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.437 -9.858 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.827 -8.968 -4.236 1.00 0.00 H new ATOM 419 N LEU A 27 -4.784 -10.108 -8.404 1.00 0.00 N ATOM 420 CA LEU A 27 -6.166 -10.452 -8.717 1.00 0.00 C ATOM 421 C LEU A 27 -6.243 -11.301 -9.982 1.00 0.00 C ATOM 422 O LEU A 27 -7.015 -12.257 -10.053 1.00 0.00 O ATOM 423 CB LEU A 27 -7.001 -9.182 -8.891 1.00 0.00 C ATOM 424 CG LEU A 27 -7.667 -8.638 -7.627 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.145 -7.211 -7.847 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.825 -9.532 -7.207 1.00 0.00 C ATOM 0 H LEU A 27 -4.569 -9.114 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.567 -11.033 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.360 -8.403 -9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.777 -9.380 -9.630 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.929 -8.632 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.616 -6.841 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.295 -6.577 -8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.867 -7.191 -8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.287 -9.129 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.564 -9.570 -8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.454 -10.537 -7.007 1.00 0.00 H new ATOM 438 N GLN A 28 -5.436 -10.946 -10.976 1.00 0.00 N ATOM 439 CA GLN A 28 -5.412 -11.678 -12.238 1.00 0.00 C ATOM 440 C GLN A 28 -4.687 -13.010 -12.080 1.00 0.00 C ATOM 441 O GLN A 28 -5.181 -14.051 -12.512 1.00 0.00 O ATOM 442 CB GLN A 28 -4.735 -10.841 -13.324 1.00 0.00 C ATOM 443 CG GLN A 28 -5.454 -9.537 -13.625 1.00 0.00 C ATOM 444 CD GLN A 28 -6.573 -9.707 -14.635 1.00 0.00 C ATOM 445 OE1 GLN A 28 -6.580 -10.659 -15.416 1.00 0.00 O ATOM 446 NE2 GLN A 28 -7.526 -8.783 -14.625 1.00 0.00 N ATOM 0 H GLN A 28 -4.791 -10.157 -10.933 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.442 -11.878 -12.533 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.713 -10.620 -13.016 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.672 -11.431 -14.239 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.863 -9.130 -12.700 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.736 -8.809 -14.003 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.481 -8.011 -13.960 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.304 -8.845 -15.282 1.00 0.00 H new ATOM 455 N ALA A 29 -3.512 -12.970 -11.460 1.00 0.00 N ATOM 456 CA ALA A 29 -2.720 -14.175 -11.244 1.00 0.00 C ATOM 457 C ALA A 29 -3.617 -15.384 -10.999 1.00 0.00 C ATOM 458 O ALA A 29 -4.670 -15.269 -10.373 1.00 0.00 O ATOM 459 CB ALA A 29 -1.765 -13.976 -10.077 1.00 0.00 C ATOM 0 H ALA A 29 -3.087 -12.116 -11.098 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.138 -14.365 -12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.180 -14.883 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.095 -13.144 -10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.335 -13.758 -9.174 1.00 0.00 H new ATOM 465 N GLN A 30 -3.190 -16.541 -11.494 1.00 0.00 N ATOM 466 CA GLN A 30 -3.956 -17.771 -11.329 1.00 0.00 C ATOM 467 C GLN A 30 -3.575 -18.479 -10.033 1.00 0.00 C ATOM 468 O GLN A 30 -4.440 -18.862 -9.246 1.00 0.00 O ATOM 469 CB GLN A 30 -3.727 -18.704 -12.520 1.00 0.00 C ATOM 470 CG GLN A 30 -4.661 -19.903 -12.542 1.00 0.00 C ATOM 471 CD GLN A 30 -6.004 -19.585 -13.168 1.00 0.00 C ATOM 472 OE1 GLN A 30 -6.675 -18.629 -12.776 1.00 0.00 O ATOM 473 NE2 GLN A 30 -6.406 -20.386 -14.148 1.00 0.00 N ATOM 0 H GLN A 30 -2.319 -16.653 -12.012 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.013 -17.508 -11.281 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.853 -18.139 -13.443 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.696 -19.057 -12.501 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.190 -20.716 -13.095 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.814 -20.258 -11.523 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.819 -21.167 -14.442 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.302 -20.220 -14.607 1.00 0.00 H new ATOM 482 N ASN A 31 -2.275 -18.650 -9.818 1.00 0.00 N ATOM 483 CA ASN A 31 -1.780 -19.313 -8.617 1.00 0.00 C ATOM 484 C ASN A 31 -1.116 -18.311 -7.676 1.00 0.00 C ATOM 485 O ASN A 31 0.106 -18.263 -7.543 1.00 0.00 O ATOM 486 CB ASN A 31 -0.785 -20.414 -8.990 1.00 0.00 C ATOM 487 CG ASN A 31 0.072 -20.039 -10.184 1.00 0.00 C ATOM 488 OD1 ASN A 31 -0.438 -19.826 -11.286 1.00 0.00 O ATOM 489 ND2 ASN A 31 1.379 -19.955 -9.971 1.00 0.00 N ATOM 0 H ASN A 31 -1.545 -18.339 -10.459 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.631 -19.760 -8.103 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.141 -20.623 -8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.329 -21.332 -9.211 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.005 -19.705 -10.736 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.757 -20.140 -9.042 1.00 0.00 H new ATOM 496 N PRO A 32 -1.941 -17.491 -7.007 1.00 0.00 N ATOM 497 CA PRO A 32 -1.458 -16.477 -6.066 1.00 0.00 C ATOM 498 C PRO A 32 -0.880 -17.092 -4.796 1.00 0.00 C ATOM 499 O PRO A 32 -0.350 -16.386 -3.939 1.00 0.00 O ATOM 500 CB PRO A 32 -2.714 -15.665 -5.744 1.00 0.00 C ATOM 501 CG PRO A 32 -3.845 -16.604 -5.985 1.00 0.00 C ATOM 502 CD PRO A 32 -3.409 -17.494 -7.117 1.00 0.00 C ATOM 0 HA PRO A 32 -0.647 -15.883 -6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.704 -15.314 -4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.789 -14.783 -6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.065 -17.188 -5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.755 -16.062 -6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.817 -18.500 -7.018 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.741 -17.109 -8.081 1.00 0.00 H new ATOM 510 N SER A 33 -0.984 -18.411 -4.683 1.00 0.00 N ATOM 511 CA SER A 33 -0.475 -19.121 -3.516 1.00 0.00 C ATOM 512 C SER A 33 0.889 -18.578 -3.101 1.00 0.00 C ATOM 513 O SER A 33 1.210 -18.518 -1.916 1.00 0.00 O ATOM 514 CB SER A 33 -0.372 -20.620 -3.808 1.00 0.00 C ATOM 515 OG SER A 33 0.404 -20.861 -4.969 1.00 0.00 O ATOM 0 H SER A 33 -1.416 -19.011 -5.386 1.00 0.00 H new ATOM 0 HA SER A 33 -1.174 -18.965 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.076 -21.130 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.370 -21.037 -3.941 1.00 0.00 H new ATOM 0 HG SER A 33 0.456 -21.826 -5.133 1.00 0.00 H new ATOM 521 N GLU A 34 1.685 -18.183 -4.089 1.00 0.00 N ATOM 522 CA GLU A 34 3.016 -17.644 -3.827 1.00 0.00 C ATOM 523 C GLU A 34 2.978 -16.121 -3.740 1.00 0.00 C ATOM 524 O GLU A 34 3.817 -15.506 -3.081 1.00 0.00 O ATOM 525 CB GLU A 34 3.992 -18.080 -4.924 1.00 0.00 C ATOM 526 CG GLU A 34 4.665 -19.412 -4.643 1.00 0.00 C ATOM 527 CD GLU A 34 6.015 -19.537 -5.323 1.00 0.00 C ATOM 528 OE1 GLU A 34 6.117 -19.168 -6.512 1.00 0.00 O ATOM 529 OE2 GLU A 34 6.969 -20.003 -4.667 1.00 0.00 O ATOM 0 H GLU A 34 1.433 -18.225 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 34 3.358 -18.037 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.456 -18.146 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.758 -17.313 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.792 -19.531 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.016 -20.221 -4.979 1.00 0.00 H new ATOM 536 N LEU A 35 2.002 -15.520 -4.411 1.00 0.00 N ATOM 537 CA LEU A 35 1.855 -14.068 -4.411 1.00 0.00 C ATOM 538 C LEU A 35 1.365 -13.571 -3.055 1.00 0.00 C ATOM 539 O LEU A 35 1.388 -12.372 -2.776 1.00 0.00 O ATOM 540 CB LEU A 35 0.881 -13.635 -5.507 1.00 0.00 C ATOM 541 CG LEU A 35 1.394 -13.748 -6.944 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.246 -13.613 -7.932 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.458 -12.694 -7.213 1.00 0.00 C ATOM 0 H LEU A 35 1.301 -16.015 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 35 2.833 -13.628 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.025 -14.234 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.597 -12.599 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 35 1.844 -14.732 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.630 -13.696 -8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.483 -14.404 -7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.233 -12.642 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.812 -12.788 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.032 -11.701 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.293 -12.836 -6.527 1.00 0.00 H new ATOM 555 N TYR A 36 0.925 -14.500 -2.213 1.00 0.00 N ATOM 556 CA TYR A 36 0.430 -14.157 -0.886 1.00 0.00 C ATOM 557 C TYR A 36 1.559 -13.638 -0.001 1.00 0.00 C ATOM 558 O TYR A 36 1.381 -12.686 0.760 1.00 0.00 O ATOM 559 CB TYR A 36 -0.227 -15.374 -0.232 1.00 0.00 C ATOM 560 CG TYR A 36 -1.543 -15.765 -0.867 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.519 -14.814 -1.130 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.808 -17.087 -1.203 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.723 -15.167 -1.709 1.00 0.00 C ATOM 564 CE2 TYR A 36 -3.007 -17.449 -1.784 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.962 -16.486 -2.034 1.00 0.00 C ATOM 566 OH TYR A 36 -5.160 -16.842 -2.612 1.00 0.00 O ATOM 0 H TYR A 36 0.901 -15.497 -2.427 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.313 -13.368 -0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.459 -16.220 -0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.391 -15.164 0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.334 -13.780 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.063 -17.844 -1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.472 -14.415 -1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.196 -18.481 -2.041 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.168 -17.808 -2.779 1.00 0.00 H new ATOM 576 N LEU A 37 2.723 -14.270 -0.107 1.00 0.00 N ATOM 577 CA LEU A 37 3.883 -13.874 0.683 1.00 0.00 C ATOM 578 C LEU A 37 4.790 -12.939 -0.112 1.00 0.00 C ATOM 579 O LEU A 37 5.597 -12.206 0.459 1.00 0.00 O ATOM 580 CB LEU A 37 4.670 -15.109 1.126 1.00 0.00 C ATOM 581 CG LEU A 37 4.889 -16.183 0.060 1.00 0.00 C ATOM 582 CD1 LEU A 37 6.193 -16.924 0.310 1.00 0.00 C ATOM 583 CD2 LEU A 37 3.718 -17.153 0.032 1.00 0.00 C ATOM 0 H LEU A 37 2.888 -15.059 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 37 3.526 -13.342 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.644 -14.783 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.150 -15.563 1.969 1.00 0.00 H new ATOM 0 HG LEU A 37 4.953 -15.695 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.332 -17.685 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.024 -16.219 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.159 -17.400 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.891 -17.910 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.621 -17.635 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.801 -16.610 -0.196 1.00 0.00 H new ATOM 595 N SER A 38 4.648 -12.968 -1.434 1.00 0.00 N ATOM 596 CA SER A 38 5.454 -12.125 -2.307 1.00 0.00 C ATOM 597 C SER A 38 4.943 -10.686 -2.298 1.00 0.00 C ATOM 598 O SER A 38 5.591 -9.789 -1.758 1.00 0.00 O ATOM 599 CB SER A 38 5.440 -12.672 -3.736 1.00 0.00 C ATOM 600 OG SER A 38 6.368 -11.983 -4.556 1.00 0.00 O ATOM 0 H SER A 38 3.982 -13.566 -1.923 1.00 0.00 H new ATOM 0 HA SER A 38 6.477 -12.132 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.680 -13.735 -3.724 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.438 -12.576 -4.155 1.00 0.00 H new ATOM 0 HG SER A 38 6.341 -12.353 -5.463 1.00 0.00 H new ATOM 606 N SER A 39 3.776 -10.476 -2.898 1.00 0.00 N ATOM 607 CA SER A 39 3.180 -9.147 -2.963 1.00 0.00 C ATOM 608 C SER A 39 3.161 -8.493 -1.585 1.00 0.00 C ATOM 609 O SER A 39 3.686 -7.395 -1.399 1.00 0.00 O ATOM 610 CB SER A 39 1.757 -9.231 -3.519 1.00 0.00 C ATOM 611 OG SER A 39 1.768 -9.425 -4.923 1.00 0.00 O ATOM 0 H SER A 39 3.225 -11.208 -3.346 1.00 0.00 H new ATOM 0 HA SER A 39 3.788 -8.534 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.224 -10.052 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.215 -8.316 -3.279 1.00 0.00 H new ATOM 0 HG SER A 39 0.847 -9.477 -5.253 1.00 0.00 H new ATOM 617 N LYS A 40 2.550 -9.175 -0.621 1.00 0.00 N ATOM 618 CA LYS A 40 2.463 -8.663 0.741 1.00 0.00 C ATOM 619 C LYS A 40 3.781 -8.023 1.168 1.00 0.00 C ATOM 620 O LYS A 40 3.812 -6.872 1.606 1.00 0.00 O ATOM 621 CB LYS A 40 2.095 -9.789 1.709 1.00 0.00 C ATOM 622 CG LYS A 40 1.499 -9.296 3.016 1.00 0.00 C ATOM 623 CD LYS A 40 1.360 -10.425 4.025 1.00 0.00 C ATOM 624 CE LYS A 40 2.614 -10.576 4.871 1.00 0.00 C ATOM 625 NZ LYS A 40 2.627 -9.625 6.018 1.00 0.00 N ATOM 0 H LYS A 40 2.108 -10.084 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 40 1.684 -7.901 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.383 -10.456 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.987 -10.377 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.130 -8.511 3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.521 -8.853 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.505 -10.232 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.159 -11.359 3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.679 -11.598 5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.494 -10.408 4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.498 -9.759 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.591 -8.649 5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.801 -9.802 6.625 1.00 0.00 H new ATOM 639 N THR A 41 4.869 -8.774 1.035 1.00 0.00 N ATOM 640 CA THR A 41 6.189 -8.280 1.406 1.00 0.00 C ATOM 641 C THR A 41 6.451 -6.905 0.803 1.00 0.00 C ATOM 642 O THR A 41 6.790 -5.960 1.515 1.00 0.00 O ATOM 643 CB THR A 41 7.299 -9.248 0.952 1.00 0.00 C ATOM 644 OG1 THR A 41 7.088 -10.541 1.529 1.00 0.00 O ATOM 645 CG2 THR A 41 8.670 -8.725 1.353 1.00 0.00 C ATOM 0 H THR A 41 4.862 -9.728 0.673 1.00 0.00 H new ATOM 0 HA THR A 41 6.205 -8.205 2.493 1.00 0.00 H new ATOM 0 HB THR A 41 7.261 -9.326 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.764 -11.158 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.437 -9.425 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.839 -7.754 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.717 -8.621 2.437 1.00 0.00 H new ATOM 653 N GLU A 42 6.290 -6.800 -0.513 1.00 0.00 N ATOM 654 CA GLU A 42 6.510 -5.539 -1.210 1.00 0.00 C ATOM 655 C GLU A 42 5.616 -4.441 -0.644 1.00 0.00 C ATOM 656 O GLU A 42 6.091 -3.372 -0.260 1.00 0.00 O ATOM 657 CB GLU A 42 6.245 -5.705 -2.708 1.00 0.00 C ATOM 658 CG GLU A 42 6.757 -4.548 -3.550 1.00 0.00 C ATOM 659 CD GLU A 42 8.269 -4.436 -3.529 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.802 -3.751 -2.631 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.919 -5.034 -4.413 1.00 0.00 O ATOM 0 H GLU A 42 6.008 -7.573 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 42 7.550 -5.249 -1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.713 -6.628 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.172 -5.813 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.420 -4.675 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.322 -3.617 -3.185 1.00 0.00 H new ATOM 668 N LEU A 43 4.316 -4.711 -0.594 1.00 0.00 N ATOM 669 CA LEU A 43 3.352 -3.748 -0.075 1.00 0.00 C ATOM 670 C LEU A 43 3.903 -3.035 1.156 1.00 0.00 C ATOM 671 O LEU A 43 3.967 -1.808 1.198 1.00 0.00 O ATOM 672 CB LEU A 43 2.037 -4.447 0.271 1.00 0.00 C ATOM 673 CG LEU A 43 1.090 -4.714 -0.899 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.009 -5.706 -0.496 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.467 -3.414 -1.389 1.00 0.00 C ATOM 0 H LEU A 43 3.905 -5.591 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 43 3.166 -3.004 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.270 -5.399 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.510 -3.841 1.008 1.00 0.00 H new ATOM 0 HG LEU A 43 1.667 -5.148 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.655 -5.884 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.472 -6.646 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.565 -5.300 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.204 -3.623 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.095 -2.951 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.254 -2.735 -1.719 1.00 0.00 H new ATOM 687 N GLN A 44 4.300 -3.816 2.156 1.00 0.00 N ATOM 688 CA GLN A 44 4.847 -3.260 3.388 1.00 0.00 C ATOM 689 C GLN A 44 5.902 -2.200 3.086 1.00 0.00 C ATOM 690 O GLN A 44 5.926 -1.141 3.710 1.00 0.00 O ATOM 691 CB GLN A 44 5.455 -4.370 4.247 1.00 0.00 C ATOM 692 CG GLN A 44 4.423 -5.324 4.828 1.00 0.00 C ATOM 693 CD GLN A 44 5.013 -6.672 5.190 1.00 0.00 C ATOM 694 OE1 GLN A 44 4.883 -7.638 4.288 1.00 0.00 O flip ATOM 695 NE2 GLN A 44 5.581 -6.845 6.270 1.00 0.00 N flip ATOM 0 H GLN A 44 4.253 -4.835 2.137 1.00 0.00 H new ATOM 0 HA GLN A 44 4.032 -2.789 3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.164 -4.938 3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.020 -3.919 5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.979 -4.876 5.717 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.618 -5.466 4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.659 -6.075 6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.973 -7.758 6.499 1.00 0.00 H new ATOM 704 N GLY A 45 6.770 -2.495 2.124 1.00 0.00 N ATOM 705 CA GLY A 45 7.816 -1.557 1.756 1.00 0.00 C ATOM 706 C GLY A 45 7.267 -0.193 1.388 1.00 0.00 C ATOM 707 O GLY A 45 7.715 0.827 1.912 1.00 0.00 O ATOM 0 H GLY A 45 6.768 -3.366 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.515 -1.452 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.380 -1.958 0.914 1.00 0.00 H new ATOM 711 N LEU A 46 6.296 -0.174 0.481 1.00 0.00 N ATOM 712 CA LEU A 46 5.686 1.076 0.040 1.00 0.00 C ATOM 713 C LEU A 46 5.349 1.967 1.231 1.00 0.00 C ATOM 714 O LEU A 46 5.687 3.152 1.247 1.00 0.00 O ATOM 715 CB LEU A 46 4.421 0.791 -0.772 1.00 0.00 C ATOM 716 CG LEU A 46 4.576 -0.195 -1.931 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.226 -0.482 -2.571 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.553 0.347 -2.965 1.00 0.00 C ATOM 0 H LEU A 46 5.914 -1.009 0.037 1.00 0.00 H new ATOM 0 HA LEU A 46 6.405 1.600 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.657 0.408 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.049 1.735 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 46 4.975 -1.130 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.355 -1.185 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.555 -0.913 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.799 0.446 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.651 -0.367 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.182 1.295 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.526 0.502 -2.500 1.00 0.00 H new ATOM 730 N ILE A 47 4.684 1.391 2.226 1.00 0.00 N ATOM 731 CA ILE A 47 4.305 2.132 3.422 1.00 0.00 C ATOM 732 C ILE A 47 5.474 2.959 3.949 1.00 0.00 C ATOM 733 O ILE A 47 5.326 4.144 4.242 1.00 0.00 O ATOM 734 CB ILE A 47 3.813 1.190 4.537 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.451 0.597 4.170 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.734 1.932 5.861 1.00 0.00 C ATOM 737 CD1 ILE A 47 2.096 -0.639 4.965 1.00 0.00 C ATOM 0 H ILE A 47 4.396 0.412 2.228 1.00 0.00 H new ATOM 0 HA ILE A 47 3.491 2.798 3.136 1.00 0.00 H new ATOM 0 HB ILE A 47 4.527 0.373 4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.681 1.353 4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.445 0.350 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.385 1.253 6.639 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.722 2.310 6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.039 2.767 5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.118 -1.005 4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.845 -1.411 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.069 -0.393 6.027 1.00 0.00 H new ATOM 749 N GLY A 48 6.636 2.324 4.067 1.00 0.00 N ATOM 750 CA GLY A 48 7.813 3.016 4.558 1.00 0.00 C ATOM 751 C GLY A 48 7.920 4.429 4.020 1.00 0.00 C ATOM 752 O GLY A 48 8.240 5.358 4.762 1.00 0.00 O ATOM 0 H GLY A 48 6.783 1.343 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.785 3.046 5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.704 2.455 4.277 1.00 0.00 H new ATOM 756 N GLN A 49 7.654 4.591 2.728 1.00 0.00 N ATOM 757 CA GLN A 49 7.725 5.902 2.093 1.00 0.00 C ATOM 758 C GLN A 49 6.859 6.914 2.834 1.00 0.00 C ATOM 759 O GLN A 49 7.328 7.986 3.218 1.00 0.00 O ATOM 760 CB GLN A 49 7.283 5.807 0.632 1.00 0.00 C ATOM 761 CG GLN A 49 8.345 5.226 -0.289 1.00 0.00 C ATOM 762 CD GLN A 49 8.113 5.581 -1.744 1.00 0.00 C ATOM 763 OE1 GLN A 49 8.308 6.725 -2.155 1.00 0.00 O ATOM 764 NE2 GLN A 49 7.692 4.599 -2.534 1.00 0.00 N ATOM 0 H GLN A 49 7.388 3.832 2.101 1.00 0.00 H new ATOM 0 HA GLN A 49 8.760 6.241 2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.386 5.191 0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.011 6.801 0.278 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.325 5.590 0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.360 4.141 -0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.543 3.665 -2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.518 4.779 -3.523 1.00 0.00 H new ATOM 773 N LEU A 50 5.591 6.567 3.034 1.00 0.00 N ATOM 774 CA LEU A 50 4.658 7.446 3.730 1.00 0.00 C ATOM 775 C LEU A 50 5.319 8.091 4.944 1.00 0.00 C ATOM 776 O LEU A 50 5.355 9.315 5.067 1.00 0.00 O ATOM 777 CB LEU A 50 3.419 6.663 4.166 1.00 0.00 C ATOM 778 CG LEU A 50 2.441 6.281 3.055 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.297 5.449 3.613 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.909 7.525 2.361 1.00 0.00 C ATOM 0 H LEU A 50 5.186 5.684 2.724 1.00 0.00 H new ATOM 0 HA LEU A 50 4.358 8.236 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.747 5.750 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.882 7.255 4.907 1.00 0.00 H new ATOM 0 HG LEU A 50 2.975 5.680 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.611 5.187 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.694 4.539 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.764 6.024 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.214 7.233 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.392 8.153 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.739 8.082 1.925 1.00 0.00 H new ATOM 792 N ASP A 51 5.845 7.259 5.836 1.00 0.00 N ATOM 793 CA ASP A 51 6.509 7.748 7.040 1.00 0.00 C ATOM 794 C ASP A 51 7.302 9.017 6.745 1.00 0.00 C ATOM 795 O ASP A 51 7.061 10.064 7.345 1.00 0.00 O ATOM 796 CB ASP A 51 7.435 6.673 7.609 1.00 0.00 C ATOM 797 CG ASP A 51 8.001 7.054 8.963 1.00 0.00 C ATOM 798 OD1 ASP A 51 7.350 7.846 9.676 1.00 0.00 O ATOM 799 OD2 ASP A 51 9.095 6.560 9.310 1.00 0.00 O ATOM 0 H ASP A 51 5.825 6.243 5.749 1.00 0.00 H new ATOM 0 HA ASP A 51 5.743 7.984 7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.886 5.735 7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.255 6.498 6.912 1.00 0.00 H new ATOM 804 N GLU A 52 8.250 8.914 5.818 1.00 0.00 N ATOM 805 CA GLU A 52 9.080 10.054 5.446 1.00 0.00 C ATOM 806 C GLU A 52 8.240 11.322 5.324 1.00 0.00 C ATOM 807 O GLU A 52 8.616 12.380 5.827 1.00 0.00 O ATOM 808 CB GLU A 52 9.802 9.777 4.125 1.00 0.00 C ATOM 809 CG GLU A 52 10.978 8.825 4.263 1.00 0.00 C ATOM 810 CD GLU A 52 11.339 8.152 2.952 1.00 0.00 C ATOM 811 OE1 GLU A 52 10.413 7.802 2.192 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.546 7.974 2.689 1.00 0.00 O ATOM 0 H GLU A 52 8.462 8.054 5.312 1.00 0.00 H new ATOM 0 HA GLU A 52 9.820 10.204 6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.090 9.361 3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.156 10.720 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.843 9.373 4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.739 8.063 5.005 1.00 0.00 H new ATOM 819 N VAL A 53 7.100 11.207 4.651 1.00 0.00 N ATOM 820 CA VAL A 53 6.205 12.343 4.461 1.00 0.00 C ATOM 821 C VAL A 53 5.624 12.811 5.790 1.00 0.00 C ATOM 822 O VAL A 53 5.010 12.032 6.520 1.00 0.00 O ATOM 823 CB VAL A 53 5.051 11.994 3.502 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.086 13.163 3.382 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.593 11.597 2.138 1.00 0.00 C ATOM 0 H VAL A 53 6.774 10.338 4.228 1.00 0.00 H new ATOM 0 HA VAL A 53 6.799 13.146 4.024 1.00 0.00 H new ATOM 0 HB VAL A 53 4.506 11.144 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.277 12.899 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.672 13.396 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.616 14.034 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.764 11.354 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.164 12.425 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.241 10.727 2.243 1.00 0.00 H new ATOM 941 N ILE A 61 -2.772 16.793 3.097 1.00 0.00 N ATOM 942 CA ILE A 61 -1.659 15.887 3.346 1.00 0.00 C ATOM 943 C ILE A 61 -1.981 14.921 4.482 1.00 0.00 C ATOM 944 O ILE A 61 -1.923 13.703 4.310 1.00 0.00 O ATOM 945 CB ILE A 61 -0.371 16.657 3.693 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.020 17.583 2.540 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.757 15.688 4.008 1.00 0.00 C ATOM 948 CD1 ILE A 61 -0.674 18.927 2.582 1.00 0.00 C ATOM 0 HA ILE A 61 -1.499 15.324 2.426 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.556 17.267 4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.099 17.739 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.213 17.092 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.660 16.248 4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.476 15.066 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.945 15.054 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.349 19.531 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.753 18.781 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.421 19.438 3.511 1.00 0.00 H new ATOM 960 N ARG A 62 -2.323 15.472 5.641 1.00 0.00 N ATOM 961 CA ARG A 62 -2.655 14.659 6.805 1.00 0.00 C ATOM 962 C ARG A 62 -3.577 13.506 6.418 1.00 0.00 C ATOM 963 O ARG A 62 -3.477 12.409 6.967 1.00 0.00 O ATOM 964 CB ARG A 62 -3.323 15.519 7.881 1.00 0.00 C ATOM 965 CG ARG A 62 -4.793 15.796 7.614 1.00 0.00 C ATOM 966 CD ARG A 62 -5.466 16.441 8.815 1.00 0.00 C ATOM 967 NE ARG A 62 -5.545 15.528 9.953 1.00 0.00 N ATOM 968 CZ ARG A 62 -5.665 15.932 11.212 1.00 0.00 C ATOM 969 NH1 ARG A 62 -5.722 17.227 11.494 1.00 0.00 N ATOM 970 NH2 ARG A 62 -5.732 15.041 12.193 1.00 0.00 N ATOM 0 H ARG A 62 -2.378 16.478 5.800 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.729 14.244 7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.225 15.020 8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.791 16.468 7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.889 16.450 6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.301 14.864 7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.913 17.334 9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.470 16.764 8.538 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.506 14.525 9.770 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.674 17.915 10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.814 17.535 12.462 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.691 14.044 11.980 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.824 15.353 13.160 1.00 0.00 H new ATOM 984 N GLU A 63 -4.471 13.763 5.469 1.00 0.00 N ATOM 985 CA GLU A 63 -5.410 12.746 5.010 1.00 0.00 C ATOM 986 C GLU A 63 -4.731 11.771 4.051 1.00 0.00 C ATOM 987 O GLU A 63 -4.473 10.620 4.401 1.00 0.00 O ATOM 988 CB GLU A 63 -6.610 13.401 4.322 1.00 0.00 C ATOM 989 CG GLU A 63 -7.596 12.403 3.739 1.00 0.00 C ATOM 990 CD GLU A 63 -8.410 11.696 4.805 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.452 12.246 5.219 1.00 0.00 O ATOM 992 OE2 GLU A 63 -8.005 10.592 5.225 1.00 0.00 O ATOM 0 H GLU A 63 -4.565 14.666 5.003 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.758 12.190 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.129 14.034 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.251 14.052 3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.270 12.920 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.053 11.663 3.151 1.00 0.00 H new ATOM 999 N ALA A 64 -4.444 12.242 2.843 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.795 11.414 1.834 1.00 0.00 C ATOM 1001 C ALA A 64 -2.801 10.450 2.474 1.00 0.00 C ATOM 1002 O ALA A 64 -2.801 9.255 2.176 1.00 0.00 O ATOM 1003 CB ALA A 64 -3.096 12.288 0.804 1.00 0.00 C ATOM 0 H ALA A 64 -4.651 13.193 2.539 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.563 10.825 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.616 11.656 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.828 12.933 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.343 12.902 1.298 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.954 10.977 3.352 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.953 10.163 4.032 1.00 0.00 C ATOM 1011 C ARG A 65 -1.614 9.055 4.844 1.00 0.00 C ATOM 1012 O ARG A 65 -1.397 7.870 4.590 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.089 11.035 4.945 1.00 0.00 C ATOM 1014 CG ARG A 65 1.049 10.280 5.609 1.00 0.00 C ATOM 1015 CD ARG A 65 1.955 11.215 6.395 1.00 0.00 C ATOM 1016 NE ARG A 65 2.766 10.498 7.375 1.00 0.00 N ATOM 1017 CZ ARG A 65 2.258 9.865 8.427 1.00 0.00 C ATOM 1018 NH1 ARG A 65 0.949 9.861 8.634 1.00 0.00 N ATOM 1019 NH2 ARG A 65 3.062 9.234 9.274 1.00 0.00 N ATOM 0 H ARG A 65 -1.941 11.964 3.609 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.318 9.704 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.324 11.859 4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.720 11.475 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.642 9.520 6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.633 9.759 4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.609 11.750 5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.348 11.963 6.905 1.00 0.00 H new ATOM 0 HE ARG A 65 3.778 10.482 7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.329 10.345 7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.562 9.374 9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.070 9.235 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.672 8.748 10.082 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.423 9.448 5.824 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.115 8.488 6.676 1.00 0.00 C ATOM 1035 C ARG A 66 -3.940 7.515 5.839 1.00 0.00 C ATOM 1036 O ARG A 66 -3.674 6.313 5.825 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.020 9.217 7.670 1.00 0.00 C ATOM 1038 CG ARG A 66 -4.268 8.438 8.952 1.00 0.00 C ATOM 1039 CD ARG A 66 -3.061 8.489 9.876 1.00 0.00 C ATOM 1040 NE ARG A 66 -3.349 7.905 11.184 1.00 0.00 N ATOM 1041 CZ ARG A 66 -3.306 6.600 11.431 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -2.989 5.749 10.465 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -3.580 6.144 12.647 1.00 0.00 N ATOM 0 H ARG A 66 -2.615 10.425 6.047 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.365 7.921 7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.571 10.178 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.977 9.427 7.191 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.138 8.847 9.465 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.499 7.401 8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.229 7.956 9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.745 9.524 10.003 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.596 8.533 11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.777 6.095 9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.957 4.748 10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.824 6.795 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.547 5.142 12.835 1.00 0.00 H new ATOM 1057 N ARG A 67 -4.942 8.043 5.143 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.807 7.220 4.306 1.00 0.00 C ATOM 1059 C ARG A 67 -5.017 6.088 3.656 1.00 0.00 C ATOM 1060 O ARG A 67 -5.388 4.919 3.760 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.473 8.076 3.229 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.441 7.303 2.348 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.656 7.998 1.012 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.762 8.949 1.061 1.00 0.00 N ATOM 1065 CZ ARG A 67 -10.039 8.590 1.138 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -10.367 7.305 1.175 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -10.989 9.515 1.180 1.00 0.00 N ATOM 0 H ARG A 67 -5.175 9.036 5.142 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.578 6.783 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.007 8.897 3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.701 8.521 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.056 6.297 2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.396 7.196 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.743 8.519 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.854 7.251 0.243 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.542 9.945 1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.639 6.592 1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.348 7.030 1.234 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.740 10.504 1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.969 9.238 1.239 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.927 6.444 2.984 1.00 0.00 N ATOM 1082 CA ALA A 68 -3.085 5.459 2.317 1.00 0.00 C ATOM 1083 C ALA A 68 -2.706 4.328 3.267 1.00 0.00 C ATOM 1084 O ALA A 68 -2.806 3.151 2.919 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.834 6.123 1.761 1.00 0.00 C ATOM 0 H ALA A 68 -3.607 7.408 2.887 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.654 5.031 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.215 5.375 1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.119 6.892 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.271 6.578 2.576 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.272 4.691 4.470 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.878 3.707 5.470 1.00 0.00 C ATOM 1093 C VAL A 69 -2.942 2.626 5.626 1.00 0.00 C ATOM 1094 O VAL A 69 -2.640 1.432 5.581 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.629 4.367 6.840 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.300 3.315 7.888 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.515 5.398 6.739 1.00 0.00 C ATOM 0 H VAL A 69 -2.185 5.660 4.775 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.951 3.253 5.119 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.540 4.879 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.127 3.800 8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.133 2.618 7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.403 2.772 7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.352 5.854 7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.402 4.911 6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.796 6.168 6.021 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.188 3.052 5.807 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.297 2.120 5.967 1.00 0.00 C ATOM 1109 C ILE A 70 -5.566 1.358 4.675 1.00 0.00 C ATOM 1110 O ILE A 70 -5.679 0.132 4.677 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.585 2.846 6.399 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.363 3.579 7.724 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.736 1.858 6.520 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -5.866 4.997 7.554 1.00 0.00 C ATOM 0 H ILE A 70 -4.454 4.036 5.846 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.007 1.416 6.747 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.843 3.581 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.299 3.595 8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.644 3.020 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.639 2.387 6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.906 1.378 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.489 1.101 7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.731 5.455 8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.914 4.988 7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.594 5.572 6.982 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.666 2.092 3.571 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.920 1.485 2.270 1.00 0.00 C ATOM 1128 C GLU A 71 -4.951 0.336 2.007 1.00 0.00 C ATOM 1129 O GLU A 71 -5.365 -0.799 1.766 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.799 2.532 1.161 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.957 3.514 1.123 1.00 0.00 C ATOM 1132 CD GLU A 71 -6.658 4.736 0.276 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -5.652 5.420 0.556 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -7.430 5.008 -0.667 1.00 0.00 O ATOM 0 H GLU A 71 -5.575 3.108 3.552 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.935 1.088 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.869 3.085 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.733 2.024 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.841 3.012 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.194 3.830 2.139 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.658 0.638 2.055 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.628 -0.368 1.822 1.00 0.00 C ATOM 1143 C VAL A 72 -2.689 -1.470 2.875 1.00 0.00 C ATOM 1144 O VAL A 72 -2.790 -2.651 2.545 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.220 0.256 1.830 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.160 -0.813 1.610 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -1.117 1.347 0.775 1.00 0.00 C ATOM 0 H VAL A 72 -3.298 1.572 2.253 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.821 -0.796 0.839 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.047 0.708 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.828 -0.353 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.222 -1.556 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.326 -1.297 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.116 1.778 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.310 0.921 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.851 2.125 0.984 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.628 -1.073 4.142 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.676 -2.028 5.244 1.00 0.00 C ATOM 1159 C GLN A 73 -3.804 -3.035 5.042 1.00 0.00 C ATOM 1160 O GLN A 73 -3.665 -4.214 5.370 1.00 0.00 O ATOM 1161 CB GLN A 73 -2.862 -1.295 6.574 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.569 -0.744 7.150 1.00 0.00 C ATOM 1163 CD GLN A 73 -0.849 -1.744 8.033 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -1.475 -2.603 8.655 1.00 0.00 O ATOM 1165 NE2 GLN A 73 0.473 -1.638 8.092 1.00 0.00 N ATOM 0 H GLN A 73 -2.545 -0.098 4.431 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.730 -2.569 5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.565 -0.475 6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.310 -1.978 7.296 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.911 -0.446 6.334 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.787 0.154 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.951 -0.911 7.560 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.011 -2.284 8.670 1.00 0.00 H new ATOM 1174 N THR A 74 -4.922 -2.563 4.501 1.00 0.00 N ATOM 1175 CA THR A 74 -6.074 -3.422 4.257 1.00 0.00 C ATOM 1176 C THR A 74 -5.685 -4.646 3.437 1.00 0.00 C ATOM 1177 O THR A 74 -6.215 -5.739 3.642 1.00 0.00 O ATOM 1178 CB THR A 74 -7.196 -2.663 3.523 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.569 -1.499 4.270 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.413 -3.554 3.323 1.00 0.00 C ATOM 0 H THR A 74 -5.054 -1.591 4.223 1.00 0.00 H new ATOM 0 HA THR A 74 -6.439 -3.743 5.232 1.00 0.00 H new ATOM 0 HB THR A 74 -6.821 -2.363 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.955 -0.765 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.191 -2.996 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.133 -4.425 2.730 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.788 -3.881 4.293 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.755 -4.457 2.506 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.293 -5.548 1.654 1.00 0.00 C ATOM 1190 C LEU A 75 -3.453 -6.542 2.450 1.00 0.00 C ATOM 1191 O LEU A 75 -3.623 -7.755 2.321 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.477 -4.996 0.484 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.281 -4.456 -0.699 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.381 -3.677 -1.646 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.976 -5.592 -1.434 1.00 0.00 C ATOM 0 H LEU A 75 -4.307 -3.559 2.322 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.168 -6.069 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.838 -4.196 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.820 -5.786 0.121 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.043 -3.778 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.971 -3.301 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.931 -2.839 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.595 -4.332 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.544 -5.189 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.230 -6.295 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.653 -6.107 -0.752 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.551 -6.021 3.274 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.688 -6.863 4.093 1.00 0.00 C ATOM 1209 C ILE A 76 -2.507 -7.832 4.938 1.00 0.00 C ATOM 1210 O ILE A 76 -2.131 -8.991 5.116 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.794 -6.019 5.020 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.012 -5.006 4.206 1.00 0.00 C ATOM 1213 CG2 ILE A 76 0.134 -6.919 5.823 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.928 -4.145 5.047 1.00 0.00 C ATOM 0 H ILE A 76 -2.399 -5.019 3.392 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.056 -7.428 3.408 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.431 -5.472 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.607 -5.539 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.676 -4.362 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.760 -6.308 6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.458 -7.605 6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.766 -7.489 5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.468 -3.451 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.337 -3.584 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.641 -4.779 5.574 1.00 0.00 H new ATOM 1226 N THR A 77 -3.633 -7.350 5.457 1.00 0.00 N ATOM 1227 CA THR A 77 -4.507 -8.173 6.283 1.00 0.00 C ATOM 1228 C THR A 77 -5.350 -9.111 5.428 1.00 0.00 C ATOM 1229 O THR A 77 -5.453 -10.304 5.713 1.00 0.00 O ATOM 1230 CB THR A 77 -5.442 -7.307 7.148 1.00 0.00 C ATOM 1231 OG1 THR A 77 -4.670 -6.427 7.974 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.333 -8.178 8.021 1.00 0.00 C ATOM 0 H THR A 77 -3.960 -6.394 5.319 1.00 0.00 H new ATOM 0 HA THR A 77 -3.862 -8.762 6.935 1.00 0.00 H new ATOM 0 HB THR A 77 -6.075 -6.719 6.483 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.272 -5.879 8.520 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.984 -7.544 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.940 -8.826 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.714 -8.789 8.678 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.952 -8.564 4.376 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.788 -9.353 3.479 1.00 0.00 C ATOM 1242 C TYR A 78 -6.093 -10.653 3.087 1.00 0.00 C ATOM 1243 O TYR A 78 -6.670 -11.735 3.194 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.129 -8.546 2.225 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.398 -9.403 1.008 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.474 -10.280 0.976 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.576 -9.332 -0.110 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.723 -11.065 -0.133 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.819 -10.113 -1.224 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.893 -10.978 -1.230 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.138 -11.757 -2.338 1.00 0.00 O ATOM 0 H TYR A 78 -5.876 -7.578 4.124 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.709 -9.600 4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.006 -7.930 2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.306 -7.866 2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.128 -10.350 1.833 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.734 -8.656 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.563 -11.743 -0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.171 -10.046 -2.085 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.461 -11.574 -3.023 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.849 -10.537 2.635 1.00 0.00 N ATOM 1262 CA ILE A 79 -4.072 -11.703 2.229 1.00 0.00 C ATOM 1263 C ILE A 79 -3.888 -12.673 3.392 1.00 0.00 C ATOM 1264 O ILE A 79 -4.072 -13.880 3.241 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.689 -11.297 1.690 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.836 -10.517 0.381 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.819 -12.528 1.483 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.622 -9.682 0.036 1.00 0.00 C ATOM 0 H ILE A 79 -4.357 -9.648 2.540 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.632 -12.195 1.434 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.205 -10.652 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.027 -11.218 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.707 -9.866 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.844 -12.225 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.691 -13.047 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.297 -13.195 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.796 -9.157 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.442 -8.956 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.752 -10.330 -0.067 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.526 -12.135 4.551 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.320 -12.952 5.741 1.00 0.00 C ATOM 1282 C ASP A 80 -4.552 -13.803 6.037 1.00 0.00 C ATOM 1283 O ASP A 80 -4.463 -15.027 6.144 1.00 0.00 O ATOM 1284 CB ASP A 80 -2.996 -12.065 6.945 1.00 0.00 C ATOM 1285 CG ASP A 80 -2.766 -12.869 8.210 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -1.739 -13.575 8.286 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.612 -12.790 9.124 1.00 0.00 O ATOM 0 H ASP A 80 -3.369 -11.137 4.692 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.478 -13.618 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.107 -11.473 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.815 -11.364 7.107 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.699 -13.147 6.168 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.950 -13.842 6.453 1.00 0.00 C ATOM 1294 C LEU A 81 -7.185 -14.970 5.453 1.00 0.00 C ATOM 1295 O LEU A 81 -7.397 -16.120 5.838 1.00 0.00 O ATOM 1296 CB LEU A 81 -8.122 -12.860 6.417 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.000 -11.636 7.325 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -9.127 -10.652 7.050 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -8.000 -12.055 8.788 1.00 0.00 C ATOM 0 H LEU A 81 -5.789 -12.135 6.082 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.878 -14.275 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.250 -12.515 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.030 -13.399 6.687 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.053 -11.141 7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.023 -9.787 7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.081 -10.327 6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.086 -11.136 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.912 -11.171 9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.930 -12.574 9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.157 -12.720 8.976 1.00 0.00 H new ATOM 1311 N LYS A 82 -7.143 -14.632 4.169 1.00 0.00 N ATOM 1312 CA LYS A 82 -7.349 -15.617 3.113 1.00 0.00 C ATOM 1313 C LYS A 82 -6.358 -16.769 3.242 1.00 0.00 C ATOM 1314 O LYS A 82 -6.734 -17.936 3.143 1.00 0.00 O ATOM 1315 CB LYS A 82 -7.205 -14.958 1.739 1.00 0.00 C ATOM 1316 CG LYS A 82 -8.194 -13.831 1.498 1.00 0.00 C ATOM 1317 CD LYS A 82 -9.592 -14.363 1.230 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.760 -14.781 -0.223 1.00 0.00 C ATOM 1319 NZ LYS A 82 -11.195 -14.891 -0.606 1.00 0.00 N ATOM 0 H LYS A 82 -6.968 -13.684 3.834 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.358 -16.016 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.192 -14.569 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.335 -15.716 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.215 -13.172 2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.863 -13.231 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.789 -15.215 1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.327 -13.597 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.266 -14.055 -0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.266 -15.739 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.267 -15.178 -1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.661 -15.602 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.661 -13.970 -0.476 1.00 0.00 H new ATOM 1333 N GLU A 83 -5.092 -16.432 3.466 1.00 0.00 N ATOM 1334 CA GLU A 83 -4.048 -17.439 3.610 1.00 0.00 C ATOM 1335 C GLU A 83 -4.483 -18.541 4.573 1.00 0.00 C ATOM 1336 O GLU A 83 -4.514 -19.717 4.214 1.00 0.00 O ATOM 1337 CB GLU A 83 -2.751 -16.796 4.106 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.870 -16.263 2.989 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.942 -17.320 2.423 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.111 -17.579 3.044 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.268 -17.889 1.360 1.00 0.00 O ATOM 0 H GLU A 83 -4.765 -15.470 3.552 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.872 -17.884 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.997 -15.979 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.188 -17.531 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.500 -15.872 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.278 -15.429 3.365 1.00 0.00 H new