USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 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 60 ASN : amide:sc= -0.265 K(o=-0.66,f=0.26!) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.398 K(o=-0.66,f=-1.5!) USER MOD Single : A 2 GLN : amide:sc= -2.5 K(o=-2.5,f=-6.4!) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= 0.485 (180deg=0.399) USER MOD Single : A 7 THR OG1 : rot 130:sc= -0.194 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0335) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -1:sc= 0.341! USER MOD Single : A 20 SER OG : rot 62:sc= 0.54 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 0 (180deg=-1.16) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.302) USER MOD Single : A 31 GLN : amide:sc= -0.0627 K(o=-0.063,f=-3.3!) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.24) USER MOD Single : A 40 GLN : amide:sc= -1.13 K(o=-1.1,f=0.73) USER MOD Single : A 41 GLN : amide:sc= -8.05! C(o=-8.1!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= 0.0206 (180deg=-0.0329) USER MOD Single : A 49 GLN : amide:sc= -0.965 K(o=-0.97,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot 3:sc= 1.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= -0.307 (180deg=-0.339) USER MOD Single : A 65 SER OG : rot -93:sc= 0.0268 USER MOD Single : A 66 THR OG1 : rot 55:sc= 0.07 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -14.140 3.962 2.041 1.00 0.00 N ATOM 21 CA GLN A 2 -14.422 2.637 2.585 1.00 0.00 C ATOM 22 C GLN A 2 -13.200 2.011 3.267 1.00 0.00 C ATOM 23 O GLN A 2 -13.319 0.953 3.885 1.00 0.00 O ATOM 24 CB GLN A 2 -14.928 1.708 1.479 1.00 0.00 C ATOM 25 CG GLN A 2 -15.998 2.334 0.598 1.00 0.00 C ATOM 26 CD GLN A 2 -17.376 1.743 0.841 1.00 0.00 C ATOM 27 OE1 GLN A 2 -17.503 0.647 1.387 1.00 0.00 O ATOM 28 NE2 GLN A 2 -18.419 2.464 0.437 1.00 0.00 N ATOM 0 HA GLN A 2 -15.193 2.763 3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.086 1.408 0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.328 0.801 1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.030 3.408 0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.727 2.196 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.271 3.368 -0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.366 2.113 0.576 1.00 0.00 H new ATOM 37 N ILE A 3 -12.029 2.648 3.168 1.00 0.00 N ATOM 38 CA ILE A 3 -10.831 2.104 3.800 1.00 0.00 C ATOM 39 C ILE A 3 -10.003 3.201 4.463 1.00 0.00 C ATOM 40 O ILE A 3 -9.978 4.340 3.997 1.00 0.00 O ATOM 41 CB ILE A 3 -9.951 1.344 2.786 1.00 0.00 C ATOM 42 CG1 ILE A 3 -8.817 0.615 3.510 1.00 0.00 C ATOM 43 CG2 ILE A 3 -9.394 2.297 1.740 1.00 0.00 C ATOM 44 CD1 ILE A 3 -7.999 -0.279 2.604 1.00 0.00 C ATOM 0 H ILE A 3 -11.889 3.524 2.665 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.172 1.406 4.564 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.569 0.604 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.159 1.351 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.238 0.014 4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.776 1.742 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.217 2.773 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.789 3.061 2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.214 -0.764 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.645 -1.038 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.549 0.320 1.812 1.00 0.00 H new ATOM 56 N PHE A 4 -9.326 2.853 5.559 1.00 0.00 N ATOM 57 CA PHE A 4 -8.501 3.811 6.283 1.00 0.00 C ATOM 58 C PHE A 4 -7.047 3.347 6.339 1.00 0.00 C ATOM 59 O PHE A 4 -6.668 2.577 7.221 1.00 0.00 O ATOM 60 CB PHE A 4 -9.041 4.009 7.703 1.00 0.00 C ATOM 61 CG PHE A 4 -9.881 5.244 7.860 1.00 0.00 C ATOM 62 CD1 PHE A 4 -11.229 5.225 7.542 1.00 0.00 C ATOM 63 CD2 PHE A 4 -9.322 6.422 8.328 1.00 0.00 C ATOM 64 CE1 PHE A 4 -12.004 6.360 7.688 1.00 0.00 C ATOM 65 CE2 PHE A 4 -10.092 7.560 8.475 1.00 0.00 C ATOM 66 CZ PHE A 4 -11.435 7.528 8.155 1.00 0.00 C ATOM 0 H PHE A 4 -9.335 1.916 5.961 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.539 4.761 5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.634 3.138 7.982 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.203 4.059 8.398 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -11.679 4.314 7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.272 6.451 8.581 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -13.054 6.333 7.437 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.644 8.473 8.839 1.00 0.00 H new ATOM 0 HZ PHE A 4 -12.039 8.416 8.270 1.00 0.00 H new ATOM 76 N VAL A 5 -6.236 3.821 5.396 1.00 0.00 N ATOM 77 CA VAL A 5 -4.826 3.453 5.350 1.00 0.00 C ATOM 78 C VAL A 5 -3.951 4.585 5.884 1.00 0.00 C ATOM 79 O VAL A 5 -4.347 5.750 5.851 1.00 0.00 O ATOM 80 CB VAL A 5 -4.387 3.099 3.913 1.00 0.00 C ATOM 81 CG1 VAL A 5 -4.524 4.304 2.995 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.960 2.571 3.902 1.00 0.00 C ATOM 0 H VAL A 5 -6.531 4.458 4.656 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.700 2.574 5.982 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.044 2.313 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.209 4.032 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.564 4.629 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.897 5.116 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.670 2.327 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.288 3.332 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.899 1.675 4.520 1.00 0.00 H new ATOM 92 N LYS A 6 -2.765 4.242 6.381 1.00 0.00 N ATOM 93 CA LYS A 6 -1.851 5.241 6.923 1.00 0.00 C ATOM 94 C LYS A 6 -0.676 5.479 5.977 1.00 0.00 C ATOM 95 O LYS A 6 -0.212 4.559 5.304 1.00 0.00 O ATOM 96 CB LYS A 6 -1.335 4.798 8.294 1.00 0.00 C ATOM 97 CG LYS A 6 -2.370 4.918 9.401 1.00 0.00 C ATOM 98 CD LYS A 6 -2.326 6.287 10.059 1.00 0.00 C ATOM 99 CE LYS A 6 -3.412 7.201 9.516 1.00 0.00 C ATOM 100 NZ LYS A 6 -3.332 8.568 10.099 1.00 0.00 N ATOM 0 H LYS A 6 -2.417 3.284 6.419 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.400 6.177 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.002 3.762 8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.463 5.398 8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.365 4.742 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.193 4.147 10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.446 6.178 11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.349 6.741 9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.325 7.264 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.390 6.771 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.252 9.043 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.085 8.502 11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.603 9.116 9.599 1.00 0.00 H new ATOM 114 N THR A 7 -0.203 6.724 5.924 1.00 0.00 N ATOM 115 CA THR A 7 0.912 7.083 5.054 1.00 0.00 C ATOM 116 C THR A 7 2.229 7.143 5.838 1.00 0.00 C ATOM 117 O THR A 7 2.272 6.782 7.014 1.00 0.00 O ATOM 118 CB THR A 7 0.626 8.415 4.358 1.00 0.00 C ATOM 119 OG1 THR A 7 0.750 9.495 5.267 1.00 0.00 O ATOM 120 CG2 THR A 7 -0.761 8.473 3.753 1.00 0.00 C ATOM 0 H THR A 7 -0.575 7.499 6.473 1.00 0.00 H new ATOM 0 HA THR A 7 1.020 6.309 4.294 1.00 0.00 H new ATOM 0 HB THR A 7 1.362 8.496 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.327 10.185 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.908 9.440 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.868 7.680 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.506 8.340 4.538 1.00 0.00 H new ATOM 128 N LEU A 8 3.302 7.594 5.183 1.00 0.00 N ATOM 129 CA LEU A 8 4.609 7.689 5.822 1.00 0.00 C ATOM 130 C LEU A 8 4.596 8.750 6.923 1.00 0.00 C ATOM 131 O LEU A 8 5.275 8.608 7.941 1.00 0.00 O ATOM 132 CB LEU A 8 5.704 7.952 4.770 1.00 0.00 C ATOM 133 CG LEU A 8 6.003 9.424 4.462 1.00 0.00 C ATOM 134 CD1 LEU A 8 7.388 9.570 3.852 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.945 9.999 3.531 1.00 0.00 C ATOM 0 H LEU A 8 3.287 7.898 4.210 1.00 0.00 H new ATOM 0 HA LEU A 8 4.841 6.737 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.626 7.478 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.414 7.459 3.842 1.00 0.00 H new ATOM 0 HG LEU A 8 5.979 9.984 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.583 10.621 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.135 9.196 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.440 8.997 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.173 11.044 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.937 9.437 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.966 9.928 4.005 1.00 0.00 H new ATOM 147 N THR A 9 3.812 9.812 6.716 1.00 0.00 N ATOM 148 CA THR A 9 3.709 10.885 7.696 1.00 0.00 C ATOM 149 C THR A 9 2.356 10.838 8.410 1.00 0.00 C ATOM 150 O THR A 9 1.729 11.872 8.639 1.00 0.00 O ATOM 151 CB THR A 9 3.897 12.245 7.021 1.00 0.00 C ATOM 152 OG1 THR A 9 4.894 12.177 6.012 1.00 0.00 O ATOM 153 CG2 THR A 9 4.290 13.341 7.988 1.00 0.00 C ATOM 0 H THR A 9 3.243 9.947 5.880 1.00 0.00 H new ATOM 0 HA THR A 9 4.498 10.746 8.436 1.00 0.00 H new ATOM 0 HB THR A 9 2.925 12.491 6.593 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.996 13.057 5.593 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.408 14.279 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.514 13.454 8.745 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.232 13.080 8.470 1.00 0.00 H new ATOM 161 N GLY A 10 1.916 9.630 8.767 1.00 0.00 N ATOM 162 CA GLY A 10 0.648 9.467 9.460 1.00 0.00 C ATOM 163 C GLY A 10 -0.497 10.232 8.813 1.00 0.00 C ATOM 164 O GLY A 10 -1.410 10.682 9.504 1.00 0.00 O ATOM 0 H GLY A 10 2.418 8.760 8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.394 8.407 9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.761 9.800 10.492 1.00 0.00 H new ATOM 168 N LYS A 11 -0.459 10.376 7.490 1.00 0.00 N ATOM 169 CA LYS A 11 -1.516 11.088 6.775 1.00 0.00 C ATOM 170 C LYS A 11 -2.689 10.157 6.474 1.00 0.00 C ATOM 171 O LYS A 11 -2.513 8.945 6.354 1.00 0.00 O ATOM 172 CB LYS A 11 -0.975 11.688 5.475 1.00 0.00 C ATOM 173 CG LYS A 11 -1.635 13.003 5.091 1.00 0.00 C ATOM 174 CD LYS A 11 -0.768 14.193 5.472 1.00 0.00 C ATOM 175 CE LYS A 11 -0.996 15.368 4.537 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.337 15.162 3.218 1.00 0.00 N ATOM 0 H LYS A 11 0.286 10.012 6.895 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.870 11.897 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.099 11.846 5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.116 10.970 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.823 13.017 4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.603 13.084 5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.989 14.493 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.282 13.903 5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.066 15.513 4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.612 16.278 4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.369 16.046 2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.654 14.882 3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.834 14.414 2.694 1.00 0.00 H new ATOM 190 N THR A 12 -3.887 10.728 6.353 1.00 0.00 N ATOM 191 CA THR A 12 -5.079 9.940 6.063 1.00 0.00 C ATOM 192 C THR A 12 -5.482 10.089 4.596 1.00 0.00 C ATOM 193 O THR A 12 -5.717 11.200 4.121 1.00 0.00 O ATOM 194 CB THR A 12 -6.235 10.364 6.976 1.00 0.00 C ATOM 195 OG1 THR A 12 -7.314 9.444 6.892 1.00 0.00 O ATOM 196 CG2 THR A 12 -6.777 11.746 6.663 1.00 0.00 C ATOM 0 H THR A 12 -4.055 11.729 6.451 1.00 0.00 H new ATOM 0 HA THR A 12 -4.849 8.891 6.252 1.00 0.00 H new ATOM 0 HB THR A 12 -5.812 10.380 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.039 9.735 7.484 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.592 11.981 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.983 12.483 6.779 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.146 11.768 5.638 1.00 0.00 H new ATOM 204 N ILE A 13 -5.558 8.968 3.880 1.00 0.00 N ATOM 205 CA ILE A 13 -5.931 8.994 2.469 1.00 0.00 C ATOM 206 C ILE A 13 -7.152 8.117 2.200 1.00 0.00 C ATOM 207 O ILE A 13 -7.546 7.309 3.041 1.00 0.00 O ATOM 208 CB ILE A 13 -4.770 8.524 1.571 1.00 0.00 C ATOM 209 CG1 ILE A 13 -4.353 7.099 1.939 1.00 0.00 C ATOM 210 CG2 ILE A 13 -3.588 9.476 1.692 1.00 0.00 C ATOM 211 CD1 ILE A 13 -3.280 6.531 1.037 1.00 0.00 C ATOM 0 H ILE A 13 -5.368 8.037 4.252 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.173 10.029 2.229 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.109 8.526 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.994 7.089 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.229 6.451 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.776 9.131 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.893 10.476 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.248 9.504 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.034 5.518 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.643 6.509 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.389 7.156 1.094 1.00 0.00 H new ATOM 223 N THR A 14 -7.750 8.287 1.022 1.00 0.00 N ATOM 224 CA THR A 14 -8.928 7.516 0.640 1.00 0.00 C ATOM 225 C THR A 14 -8.564 6.454 -0.397 1.00 0.00 C ATOM 226 O THR A 14 -7.965 6.767 -1.426 1.00 0.00 O ATOM 227 CB THR A 14 -10.007 8.449 0.076 1.00 0.00 C ATOM 228 OG1 THR A 14 -9.762 8.740 -1.292 1.00 0.00 O ATOM 229 CG2 THR A 14 -10.110 9.767 0.816 1.00 0.00 C ATOM 0 H THR A 14 -7.436 8.953 0.316 1.00 0.00 H new ATOM 0 HA THR A 14 -9.315 7.016 1.528 1.00 0.00 H new ATOM 0 HB THR A 14 -10.945 7.907 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.943 8.287 -1.581 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.892 10.378 0.365 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.354 9.579 1.862 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.158 10.294 0.755 1.00 0.00 H new ATOM 237 N LEU A 15 -8.923 5.196 -0.131 1.00 0.00 N ATOM 238 CA LEU A 15 -8.619 4.113 -1.060 1.00 0.00 C ATOM 239 C LEU A 15 -9.871 3.304 -1.395 1.00 0.00 C ATOM 240 O LEU A 15 -10.693 3.025 -0.522 1.00 0.00 O ATOM 241 CB LEU A 15 -7.540 3.197 -0.475 1.00 0.00 C ATOM 242 CG LEU A 15 -6.184 3.265 -1.181 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.334 4.384 -0.599 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.461 1.931 -1.071 1.00 0.00 C ATOM 0 H LEU A 15 -9.419 4.907 0.712 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.246 4.558 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.399 3.451 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.900 2.169 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.354 3.479 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.374 4.417 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.848 5.336 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.170 4.202 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.498 1.996 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.302 1.689 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.064 1.151 -1.536 1.00 0.00 H new ATOM 256 N GLU A 16 -10.011 2.929 -2.666 1.00 0.00 N ATOM 257 CA GLU A 16 -11.163 2.151 -3.110 1.00 0.00 C ATOM 258 C GLU A 16 -10.792 0.677 -3.259 1.00 0.00 C ATOM 259 O GLU A 16 -9.613 0.325 -3.278 1.00 0.00 O ATOM 260 CB GLU A 16 -11.692 2.694 -4.439 1.00 0.00 C ATOM 261 CG GLU A 16 -10.681 2.622 -5.571 1.00 0.00 C ATOM 262 CD GLU A 16 -10.041 3.964 -5.868 1.00 0.00 C ATOM 263 OE1 GLU A 16 -10.733 4.842 -6.425 1.00 0.00 O ATOM 264 OE2 GLU A 16 -8.848 4.138 -5.543 1.00 0.00 O ATOM 0 H GLU A 16 -9.342 3.151 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.945 2.239 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.583 2.133 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.998 3.731 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.904 1.902 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.174 2.252 -6.470 1.00 0.00 H new ATOM 271 N VAL A 17 -11.803 -0.185 -3.364 1.00 0.00 N ATOM 272 CA VAL A 17 -11.568 -1.615 -3.510 1.00 0.00 C ATOM 273 C VAL A 17 -12.542 -2.238 -4.509 1.00 0.00 C ATOM 274 O VAL A 17 -13.757 -2.097 -4.373 1.00 0.00 O ATOM 275 CB VAL A 17 -11.695 -2.350 -2.163 1.00 0.00 C ATOM 276 CG1 VAL A 17 -11.221 -3.789 -2.291 1.00 0.00 C ATOM 277 CG2 VAL A 17 -10.914 -1.619 -1.080 1.00 0.00 C ATOM 0 H VAL A 17 -12.787 0.083 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.549 -1.727 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.746 -2.363 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.319 -4.291 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.827 -4.307 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.177 -3.802 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.015 -2.153 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.861 -1.572 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.305 -0.608 -0.969 1.00 0.00 H new ATOM 287 N GLU A 18 -12.002 -2.931 -5.512 1.00 0.00 N ATOM 288 CA GLU A 18 -12.826 -3.575 -6.527 1.00 0.00 C ATOM 289 C GLU A 18 -12.829 -5.089 -6.330 1.00 0.00 C ATOM 290 O GLU A 18 -11.924 -5.642 -5.707 1.00 0.00 O ATOM 291 CB GLU A 18 -12.313 -3.224 -7.927 1.00 0.00 C ATOM 292 CG GLU A 18 -10.937 -3.793 -8.236 1.00 0.00 C ATOM 293 CD GLU A 18 -10.020 -2.778 -8.891 1.00 0.00 C ATOM 294 OE1 GLU A 18 -10.037 -1.603 -8.467 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.286 -3.158 -9.827 1.00 0.00 O ATOM 0 H GLU A 18 -10.998 -3.059 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.848 -3.210 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.023 -3.593 -8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.279 -2.139 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.479 -4.148 -7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.044 -4.657 -8.892 1.00 0.00 H new ATOM 302 N PRO A 19 -13.848 -5.787 -6.859 1.00 0.00 N ATOM 303 CA PRO A 19 -13.954 -7.242 -6.736 1.00 0.00 C ATOM 304 C PRO A 19 -12.638 -7.945 -7.067 1.00 0.00 C ATOM 305 O PRO A 19 -12.107 -8.699 -6.252 1.00 0.00 O ATOM 306 CB PRO A 19 -15.043 -7.624 -7.755 1.00 0.00 C ATOM 307 CG PRO A 19 -15.351 -6.372 -8.516 1.00 0.00 C ATOM 308 CD PRO A 19 -14.972 -5.231 -7.617 1.00 0.00 C ATOM 0 HA PRO A 19 -14.194 -7.545 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.694 -8.411 -8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.932 -8.004 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.789 -6.336 -9.449 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.408 -6.326 -8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.682 -4.346 -8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.795 -4.936 -6.966 1.00 0.00 H new ATOM 316 N SER A 20 -12.113 -7.694 -8.266 1.00 0.00 N ATOM 317 CA SER A 20 -10.856 -8.304 -8.698 1.00 0.00 C ATOM 318 C SER A 20 -9.644 -7.438 -8.331 1.00 0.00 C ATOM 319 O SER A 20 -8.720 -7.292 -9.133 1.00 0.00 O ATOM 320 CB SER A 20 -10.879 -8.551 -10.208 1.00 0.00 C ATOM 321 OG SER A 20 -10.676 -7.346 -10.927 1.00 0.00 O ATOM 0 H SER A 20 -12.538 -7.073 -8.955 1.00 0.00 H new ATOM 0 HA SER A 20 -10.758 -9.255 -8.174 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.105 -9.271 -10.473 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.835 -8.991 -10.493 1.00 0.00 H new ATOM 0 HG SER A 20 -9.796 -6.976 -10.704 1.00 0.00 H new ATOM 327 N ASP A 21 -9.639 -6.866 -7.126 1.00 0.00 N ATOM 328 CA ASP A 21 -8.522 -6.027 -6.692 1.00 0.00 C ATOM 329 C ASP A 21 -7.290 -6.874 -6.382 1.00 0.00 C ATOM 330 O ASP A 21 -7.276 -7.629 -5.409 1.00 0.00 O ATOM 331 CB ASP A 21 -8.904 -5.206 -5.457 1.00 0.00 C ATOM 332 CG ASP A 21 -7.986 -4.018 -5.247 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.854 -4.221 -4.760 1.00 0.00 O ATOM 334 OD2 ASP A 21 -8.400 -2.884 -5.570 1.00 0.00 O ATOM 0 H ASP A 21 -10.387 -6.967 -6.440 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.285 -5.347 -7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.931 -4.855 -5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.874 -5.846 -4.575 1.00 0.00 H new ATOM 339 N THR A 22 -6.255 -6.745 -7.211 1.00 0.00 N ATOM 340 CA THR A 22 -5.022 -7.500 -7.011 1.00 0.00 C ATOM 341 C THR A 22 -4.099 -6.778 -6.031 1.00 0.00 C ATOM 342 O THR A 22 -4.106 -5.550 -5.953 1.00 0.00 O ATOM 343 CB THR A 22 -4.302 -7.719 -8.346 1.00 0.00 C ATOM 344 OG1 THR A 22 -5.233 -7.937 -9.394 1.00 0.00 O ATOM 345 CG2 THR A 22 -3.343 -8.891 -8.325 1.00 0.00 C ATOM 0 H THR A 22 -6.247 -6.128 -8.023 1.00 0.00 H new ATOM 0 HA THR A 22 -5.285 -8.471 -6.591 1.00 0.00 H new ATOM 0 HB THR A 22 -3.729 -6.807 -8.516 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.751 -8.073 -10.237 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.868 -8.990 -9.301 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.580 -8.723 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.890 -9.805 -8.094 1.00 0.00 H new ATOM 353 N ILE A 23 -3.306 -7.544 -5.284 1.00 0.00 N ATOM 354 CA ILE A 23 -2.383 -6.964 -4.311 1.00 0.00 C ATOM 355 C ILE A 23 -1.260 -6.189 -5.004 1.00 0.00 C ATOM 356 O ILE A 23 -0.820 -5.151 -4.512 1.00 0.00 O ATOM 357 CB ILE A 23 -1.767 -8.046 -3.395 1.00 0.00 C ATOM 358 CG1 ILE A 23 -2.872 -8.812 -2.664 1.00 0.00 C ATOM 359 CG2 ILE A 23 -0.806 -7.418 -2.395 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.462 -10.207 -2.244 1.00 0.00 C ATOM 0 H ILE A 23 -3.284 -8.563 -5.333 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.966 -6.276 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.207 -8.746 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.171 -8.248 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.747 -8.878 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.383 -8.196 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.004 -6.911 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.343 -6.697 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.293 -10.692 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.191 -10.788 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.606 -10.148 -1.571 1.00 0.00 H new ATOM 372 N GLU A 24 -0.797 -6.696 -6.147 1.00 0.00 N ATOM 373 CA GLU A 24 0.276 -6.037 -6.890 1.00 0.00 C ATOM 374 C GLU A 24 -0.237 -4.779 -7.593 1.00 0.00 C ATOM 375 O GLU A 24 0.445 -3.754 -7.619 1.00 0.00 O ATOM 376 CB GLU A 24 0.887 -6.994 -7.918 1.00 0.00 C ATOM 377 CG GLU A 24 2.302 -6.622 -8.329 1.00 0.00 C ATOM 378 CD GLU A 24 2.527 -6.747 -9.823 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.054 -7.739 -10.414 1.00 0.00 O ATOM 380 OE2 GLU A 24 3.177 -5.850 -10.403 1.00 0.00 O ATOM 0 H GLU A 24 -1.145 -7.554 -6.575 1.00 0.00 H new ATOM 0 HA GLU A 24 1.046 -5.746 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.891 -8.003 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.253 -7.014 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.509 -5.598 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.010 -7.264 -7.804 1.00 0.00 H new ATOM 387 N ASN A 25 -1.438 -4.861 -8.166 1.00 0.00 N ATOM 388 CA ASN A 25 -2.026 -3.722 -8.869 1.00 0.00 C ATOM 389 C ASN A 25 -2.363 -2.589 -7.898 1.00 0.00 C ATOM 390 O ASN A 25 -2.157 -1.416 -8.210 1.00 0.00 O ATOM 391 CB ASN A 25 -3.286 -4.147 -9.628 1.00 0.00 C ATOM 392 CG ASN A 25 -2.972 -4.708 -11.004 1.00 0.00 C ATOM 393 OD1 ASN A 25 -2.035 -5.491 -11.164 1.00 0.00 O ATOM 394 ND2 ASN A 25 -3.753 -4.314 -12.007 1.00 0.00 N ATOM 0 H ASN A 25 -2.019 -5.699 -8.157 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.287 -3.358 -9.583 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.821 -4.897 -9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.951 -3.290 -9.731 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.586 -4.662 -12.951 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.519 -3.664 -11.832 1.00 0.00 H new ATOM 401 N VAL A 26 -2.885 -2.942 -6.724 1.00 0.00 N ATOM 402 CA VAL A 26 -3.248 -1.940 -5.724 1.00 0.00 C ATOM 403 C VAL A 26 -2.018 -1.175 -5.229 1.00 0.00 C ATOM 404 O VAL A 26 -2.105 0.013 -4.919 1.00 0.00 O ATOM 405 CB VAL A 26 -3.968 -2.574 -4.515 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.060 -3.564 -3.803 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.454 -1.498 -3.555 1.00 0.00 C ATOM 0 H VAL A 26 -3.065 -3.906 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.929 -1.246 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.837 -3.119 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.589 -3.998 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.772 -4.356 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.167 -3.049 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.959 -1.966 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.603 -0.920 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.149 -0.836 -4.072 1.00 0.00 H new ATOM 417 N LYS A 27 -0.872 -1.856 -5.155 1.00 0.00 N ATOM 418 CA LYS A 27 0.362 -1.217 -4.695 1.00 0.00 C ATOM 419 C LYS A 27 0.679 0.019 -5.535 1.00 0.00 C ATOM 420 O LYS A 27 1.019 1.073 -4.999 1.00 0.00 O ATOM 421 CB LYS A 27 1.538 -2.201 -4.747 1.00 0.00 C ATOM 422 CG LYS A 27 2.205 -2.425 -3.398 1.00 0.00 C ATOM 423 CD LYS A 27 3.450 -1.568 -3.243 1.00 0.00 C ATOM 424 CE LYS A 27 4.028 -1.673 -1.841 1.00 0.00 C ATOM 425 NZ LYS A 27 4.802 -2.931 -1.651 1.00 0.00 N ATOM 0 H LYS A 27 -0.773 -2.840 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 27 0.211 -0.907 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.184 -3.158 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.281 -1.829 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.500 -2.193 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.471 -3.477 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.200 -1.879 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.206 -0.528 -3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.675 -0.817 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.220 -1.631 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.690 -3.263 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.449 -3.658 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.808 -2.752 -1.843 1.00 0.00 H new ATOM 439 N ALA A 28 0.561 -0.116 -6.855 1.00 0.00 N ATOM 440 CA ALA A 28 0.833 0.999 -7.761 1.00 0.00 C ATOM 441 C ALA A 28 -0.213 2.104 -7.614 1.00 0.00 C ATOM 442 O ALA A 28 0.086 3.280 -7.824 1.00 0.00 O ATOM 443 CB ALA A 28 0.888 0.515 -9.205 1.00 0.00 C ATOM 0 H ALA A 28 0.281 -0.980 -7.319 1.00 0.00 H new ATOM 0 HA ALA A 28 1.804 1.415 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.091 1.359 -9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.680 -0.227 -9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.068 0.066 -9.475 1.00 0.00 H new ATOM 449 N LYS A 29 -1.442 1.727 -7.256 1.00 0.00 N ATOM 450 CA LYS A 29 -2.518 2.702 -7.088 1.00 0.00 C ATOM 451 C LYS A 29 -2.204 3.669 -5.948 1.00 0.00 C ATOM 452 O LYS A 29 -2.444 4.871 -6.062 1.00 0.00 O ATOM 453 CB LYS A 29 -3.850 1.995 -6.819 1.00 0.00 C ATOM 454 CG LYS A 29 -5.061 2.897 -6.981 1.00 0.00 C ATOM 455 CD LYS A 29 -6.296 2.291 -6.335 1.00 0.00 C ATOM 456 CE LYS A 29 -7.146 1.544 -7.350 1.00 0.00 C ATOM 457 NZ LYS A 29 -6.598 0.191 -7.646 1.00 0.00 N ATOM 0 H LYS A 29 -1.715 0.760 -7.078 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.601 3.271 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.945 1.147 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.840 1.593 -5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.855 3.869 -6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.250 3.068 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.995 1.610 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.889 3.079 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.164 1.448 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.202 2.122 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.326 -0.383 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.770 0.280 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.314 -0.271 -6.758 1.00 0.00 H new ATOM 471 N ILE A 30 -1.663 3.143 -4.850 1.00 0.00 N ATOM 472 CA ILE A 30 -1.319 3.977 -3.701 1.00 0.00 C ATOM 473 C ILE A 30 -0.211 4.963 -4.062 1.00 0.00 C ATOM 474 O ILE A 30 -0.312 6.155 -3.772 1.00 0.00 O ATOM 475 CB ILE A 30 -0.866 3.128 -2.493 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.915 2.064 -2.165 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.608 4.016 -1.285 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.327 0.692 -1.916 1.00 0.00 C ATOM 0 H ILE A 30 -1.455 2.151 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.221 4.523 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 30 0.065 2.624 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.474 2.376 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.627 2.001 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.290 3.401 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.174 4.737 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.523 4.547 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.128 -0.012 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.792 0.359 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.637 0.739 -1.074 1.00 0.00 H new ATOM 490 N GLN A 31 0.844 4.462 -4.705 1.00 0.00 N ATOM 491 CA GLN A 31 1.962 5.312 -5.107 1.00 0.00 C ATOM 492 C GLN A 31 1.514 6.329 -6.155 1.00 0.00 C ATOM 493 O GLN A 31 1.837 7.513 -6.062 1.00 0.00 O ATOM 494 CB GLN A 31 3.112 4.466 -5.663 1.00 0.00 C ATOM 495 CG GLN A 31 4.481 5.103 -5.482 1.00 0.00 C ATOM 496 CD GLN A 31 5.011 5.719 -6.764 1.00 0.00 C ATOM 497 OE1 GLN A 31 4.862 6.919 -6.994 1.00 0.00 O ATOM 498 NE2 GLN A 31 5.634 4.901 -7.610 1.00 0.00 N ATOM 0 H GLN A 31 0.947 3.479 -4.957 1.00 0.00 H new ATOM 0 HA GLN A 31 2.313 5.846 -4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.106 3.493 -5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.941 4.289 -6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.421 5.872 -4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.184 4.350 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.736 3.912 -7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.009 5.263 -8.487 1.00 0.00 H new ATOM 507 N ASP A 32 0.765 5.859 -7.151 1.00 0.00 N ATOM 508 CA ASP A 32 0.271 6.733 -8.214 1.00 0.00 C ATOM 509 C ASP A 32 -0.637 7.835 -7.660 1.00 0.00 C ATOM 510 O ASP A 32 -0.792 8.886 -8.283 1.00 0.00 O ATOM 511 CB ASP A 32 -0.490 5.921 -9.268 1.00 0.00 C ATOM 512 CG ASP A 32 0.402 5.480 -10.412 1.00 0.00 C ATOM 513 OD1 ASP A 32 1.300 6.256 -10.797 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.200 4.358 -10.924 1.00 0.00 O ATOM 0 H ASP A 32 0.488 4.882 -7.244 1.00 0.00 H new ATOM 0 HA ASP A 32 1.138 7.204 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.933 5.043 -8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.311 6.520 -9.661 1.00 0.00 H new ATOM 519 N LYS A 33 -1.241 7.596 -6.494 1.00 0.00 N ATOM 520 CA LYS A 33 -2.131 8.581 -5.886 1.00 0.00 C ATOM 521 C LYS A 33 -1.343 9.741 -5.280 1.00 0.00 C ATOM 522 O LYS A 33 -1.464 10.881 -5.727 1.00 0.00 O ATOM 523 CB LYS A 33 -3.002 7.929 -4.808 1.00 0.00 C ATOM 524 CG LYS A 33 -4.143 7.095 -5.370 1.00 0.00 C ATOM 525 CD LYS A 33 -5.445 7.879 -5.400 1.00 0.00 C ATOM 526 CE LYS A 33 -6.245 7.679 -4.123 1.00 0.00 C ATOM 527 NZ LYS A 33 -5.931 8.716 -3.102 1.00 0.00 N ATOM 0 H LYS A 33 -1.130 6.736 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.773 8.974 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.375 7.296 -4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.414 8.707 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.892 6.766 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.271 6.198 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.230 8.939 -5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.041 7.564 -6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.310 7.708 -4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.034 6.691 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.651 8.694 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.995 8.525 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.927 9.654 -3.550 1.00 0.00 H new ATOM 541 N GLU A 34 -0.540 9.452 -4.256 1.00 0.00 N ATOM 542 CA GLU A 34 0.251 10.486 -3.600 1.00 0.00 C ATOM 543 C GLU A 34 1.718 10.424 -4.026 1.00 0.00 C ATOM 544 O GLU A 34 2.347 11.458 -4.251 1.00 0.00 O ATOM 545 CB GLU A 34 0.143 10.353 -2.079 1.00 0.00 C ATOM 546 CG GLU A 34 0.780 9.087 -1.528 1.00 0.00 C ATOM 547 CD GLU A 34 0.730 9.021 -0.014 1.00 0.00 C ATOM 548 OE1 GLU A 34 -0.361 9.236 0.554 1.00 0.00 O ATOM 549 OE2 GLU A 34 1.783 8.754 0.604 1.00 0.00 O ATOM 0 H GLU A 34 -0.422 8.516 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.149 11.453 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.615 11.218 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.909 10.372 -1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.270 8.218 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.818 9.034 -1.856 1.00 0.00 H new ATOM 556 N GLY A 35 2.263 9.213 -4.128 1.00 0.00 N ATOM 557 CA GLY A 35 3.652 9.061 -4.515 1.00 0.00 C ATOM 558 C GLY A 35 4.557 8.891 -3.311 1.00 0.00 C ATOM 559 O GLY A 35 5.494 9.665 -3.123 1.00 0.00 O ATOM 0 H GLY A 35 1.768 8.339 -3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.754 8.197 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.968 9.934 -5.086 1.00 0.00 H new ATOM 563 N ILE A 36 4.270 7.881 -2.490 1.00 0.00 N ATOM 564 CA ILE A 36 5.060 7.618 -1.288 1.00 0.00 C ATOM 565 C ILE A 36 6.371 6.903 -1.625 1.00 0.00 C ATOM 566 O ILE A 36 6.368 5.729 -1.992 1.00 0.00 O ATOM 567 CB ILE A 36 4.269 6.761 -0.273 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.076 6.566 1.012 1.00 0.00 C ATOM 569 CG2 ILE A 36 3.900 5.413 -0.881 1.00 0.00 C ATOM 570 CD1 ILE A 36 4.372 5.714 2.047 1.00 0.00 C ATOM 0 H ILE A 36 3.497 7.232 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 36 5.285 8.587 -0.844 1.00 0.00 H new ATOM 0 HB ILE A 36 3.349 7.289 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.032 6.105 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.295 7.542 1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.344 4.825 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.284 5.570 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.808 4.879 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.003 5.619 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.428 6.184 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.177 4.725 1.632 1.00 0.00 H new ATOM 582 N PRO A 37 7.517 7.605 -1.507 1.00 0.00 N ATOM 583 CA PRO A 37 8.834 7.025 -1.806 1.00 0.00 C ATOM 584 C PRO A 37 9.175 5.826 -0.920 1.00 0.00 C ATOM 585 O PRO A 37 9.635 4.797 -1.415 1.00 0.00 O ATOM 586 CB PRO A 37 9.813 8.176 -1.540 1.00 0.00 C ATOM 587 CG PRO A 37 8.984 9.413 -1.580 1.00 0.00 C ATOM 588 CD PRO A 37 7.624 9.014 -1.085 1.00 0.00 C ATOM 0 HA PRO A 37 8.871 6.640 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.302 8.061 -0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.600 8.205 -2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.415 10.192 -0.952 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.929 9.814 -2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.542 9.119 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.838 9.628 -1.525 1.00 0.00 H new ATOM 596 N PRO A 38 8.965 5.938 0.409 1.00 0.00 N ATOM 597 CA PRO A 38 9.263 4.857 1.355 1.00 0.00 C ATOM 598 C PRO A 38 8.873 3.473 0.834 1.00 0.00 C ATOM 599 O PRO A 38 7.695 3.117 0.811 1.00 0.00 O ATOM 600 CB PRO A 38 8.421 5.233 2.569 1.00 0.00 C ATOM 601 CG PRO A 38 8.401 6.722 2.552 1.00 0.00 C ATOM 602 CD PRO A 38 8.428 7.128 1.100 1.00 0.00 C ATOM 0 HA PRO A 38 10.331 4.774 1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.415 4.820 2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.859 4.851 3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.508 7.105 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.260 7.129 3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.432 7.385 0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.060 8.002 0.941 1.00 0.00 H new ATOM 610 N ASP A 39 9.878 2.696 0.427 1.00 0.00 N ATOM 611 CA ASP A 39 9.652 1.344 -0.084 1.00 0.00 C ATOM 612 C ASP A 39 9.188 0.386 1.019 1.00 0.00 C ATOM 613 O ASP A 39 8.766 -0.734 0.728 1.00 0.00 O ATOM 614 CB ASP A 39 10.926 0.799 -0.737 1.00 0.00 C ATOM 615 CG ASP A 39 12.073 0.669 0.246 1.00 0.00 C ATOM 616 OD1 ASP A 39 12.294 1.617 1.028 1.00 0.00 O ATOM 617 OD2 ASP A 39 12.748 -0.381 0.233 1.00 0.00 O ATOM 0 H ASP A 39 10.857 2.981 0.442 1.00 0.00 H new ATOM 0 HA ASP A 39 8.859 1.410 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.716 -0.176 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.223 1.459 -1.552 1.00 0.00 H new ATOM 622 N GLN A 40 9.268 0.814 2.285 1.00 0.00 N ATOM 623 CA GLN A 40 8.856 -0.034 3.402 1.00 0.00 C ATOM 624 C GLN A 40 7.379 0.165 3.763 1.00 0.00 C ATOM 625 O GLN A 40 6.969 -0.141 4.883 1.00 0.00 O ATOM 626 CB GLN A 40 9.726 0.245 4.631 1.00 0.00 C ATOM 627 CG GLN A 40 11.186 0.519 4.300 1.00 0.00 C ATOM 628 CD GLN A 40 11.521 2.000 4.315 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.962 2.555 3.309 1.00 0.00 O ATOM 630 NE2 GLN A 40 11.314 2.651 5.458 1.00 0.00 N ATOM 0 H GLN A 40 9.612 1.735 2.557 1.00 0.00 H new ATOM 0 HA GLN A 40 8.987 -1.068 3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.318 1.102 5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.670 -0.609 5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.821 -0.000 5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.415 0.109 3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.947 2.153 6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.523 3.647 5.522 1.00 0.00 H new ATOM 639 N GLN A 41 6.575 0.664 2.820 1.00 0.00 N ATOM 640 CA GLN A 41 5.152 0.876 3.070 1.00 0.00 C ATOM 641 C GLN A 41 4.373 -0.418 2.835 1.00 0.00 C ATOM 642 O GLN A 41 4.126 -0.800 1.691 1.00 0.00 O ATOM 643 CB GLN A 41 4.610 1.987 2.164 1.00 0.00 C ATOM 644 CG GLN A 41 3.165 2.364 2.452 1.00 0.00 C ATOM 645 CD GLN A 41 2.173 1.362 1.890 1.00 0.00 C ATOM 646 OE1 GLN A 41 1.778 0.417 2.573 1.00 0.00 O ATOM 647 NE2 GLN A 41 1.764 1.559 0.638 1.00 0.00 N ATOM 0 H GLN A 41 6.885 0.926 1.884 1.00 0.00 H new ATOM 0 HA GLN A 41 5.026 1.179 4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.236 2.872 2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.692 1.668 1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.023 2.444 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.960 3.348 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.116 2.355 0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.099 0.914 0.211 1.00 0.00 H new ATOM 656 N ARG A 42 3.994 -1.097 3.919 1.00 0.00 N ATOM 657 CA ARG A 42 3.254 -2.349 3.804 1.00 0.00 C ATOM 658 C ARG A 42 2.221 -2.491 4.921 1.00 0.00 C ATOM 659 O ARG A 42 2.104 -1.622 5.785 1.00 0.00 O ATOM 660 CB ARG A 42 4.218 -3.537 3.831 1.00 0.00 C ATOM 661 CG ARG A 42 4.388 -4.213 2.479 1.00 0.00 C ATOM 662 CD ARG A 42 5.732 -3.876 1.850 1.00 0.00 C ATOM 663 NE ARG A 42 6.191 -4.918 0.931 1.00 0.00 N ATOM 664 CZ ARG A 42 7.092 -4.714 -0.030 1.00 0.00 C ATOM 665 NH1 ARG A 42 7.634 -3.513 -0.196 1.00 0.00 N ATOM 666 NH2 ARG A 42 7.453 -5.712 -0.824 1.00 0.00 N ATOM 0 H ARG A 42 4.186 -0.803 4.877 1.00 0.00 H new ATOM 0 HA ARG A 42 2.723 -2.336 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.192 -3.196 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.858 -4.271 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.302 -5.293 2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.585 -3.901 1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.653 -2.930 1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.474 -3.735 2.636 1.00 0.00 H new ATOM 0 HE ARG A 42 5.799 -5.854 1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.361 -2.742 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.323 -3.362 -0.933 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.041 -6.637 -0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.142 -5.555 -1.559 1.00 0.00 H new ATOM 680 N LEU A 43 1.477 -3.596 4.897 1.00 0.00 N ATOM 681 CA LEU A 43 0.458 -3.854 5.908 1.00 0.00 C ATOM 682 C LEU A 43 0.898 -4.971 6.851 1.00 0.00 C ATOM 683 O LEU A 43 1.511 -5.950 6.422 1.00 0.00 O ATOM 684 CB LEU A 43 -0.868 -4.229 5.241 1.00 0.00 C ATOM 685 CG LEU A 43 -0.788 -5.390 4.248 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.035 -6.257 4.336 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.600 -4.868 2.832 1.00 0.00 C ATOM 0 H LEU A 43 1.562 -4.325 4.189 1.00 0.00 H new ATOM 0 HA LEU A 43 0.320 -2.943 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.588 -4.485 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.256 -3.353 4.722 1.00 0.00 H new ATOM 0 HG LEU A 43 0.075 -6.004 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.959 -7.077 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.127 -6.661 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.914 -5.655 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.545 -5.708 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.443 -4.231 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.323 -4.291 2.777 1.00 0.00 H new ATOM 699 N ILE A 44 0.584 -4.825 8.138 1.00 0.00 N ATOM 700 CA ILE A 44 0.951 -5.828 9.130 1.00 0.00 C ATOM 701 C ILE A 44 -0.288 -6.553 9.659 1.00 0.00 C ATOM 702 O ILE A 44 -0.737 -6.299 10.777 1.00 0.00 O ATOM 703 CB ILE A 44 1.718 -5.196 10.309 1.00 0.00 C ATOM 704 CG1 ILE A 44 2.129 -6.270 11.320 1.00 0.00 C ATOM 705 CG2 ILE A 44 0.876 -4.119 10.981 1.00 0.00 C ATOM 706 CD1 ILE A 44 3.069 -5.764 12.392 1.00 0.00 C ATOM 0 H ILE A 44 0.078 -4.024 8.515 1.00 0.00 H new ATOM 0 HA ILE A 44 1.602 -6.548 8.634 1.00 0.00 H new ATOM 0 HB ILE A 44 2.622 -4.728 9.919 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.234 -6.673 11.794 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.606 -7.093 10.789 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.435 -3.685 11.810 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.637 -3.340 10.257 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.047 -4.560 11.357 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.317 -6.579 13.072 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.981 -5.388 11.928 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.587 -4.960 12.949 1.00 0.00 H new ATOM 718 N PHE A 45 -0.839 -7.456 8.849 1.00 0.00 N ATOM 719 CA PHE A 45 -2.025 -8.209 9.244 1.00 0.00 C ATOM 720 C PHE A 45 -2.057 -9.584 8.576 1.00 0.00 C ATOM 721 O PHE A 45 -2.041 -9.686 7.350 1.00 0.00 O ATOM 722 CB PHE A 45 -3.291 -7.428 8.887 1.00 0.00 C ATOM 723 CG PHE A 45 -4.370 -7.522 9.928 1.00 0.00 C ATOM 724 CD1 PHE A 45 -5.273 -8.573 9.914 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.479 -6.562 10.920 1.00 0.00 C ATOM 726 CE1 PHE A 45 -6.267 -8.662 10.870 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.471 -6.645 11.879 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.366 -7.697 11.854 1.00 0.00 C ATOM 0 H PHE A 45 -0.484 -7.682 7.920 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.984 -8.355 10.323 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.031 -6.380 8.739 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.680 -7.797 7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.199 -9.331 9.148 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.781 -5.739 10.945 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.966 -9.485 10.848 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.546 -5.889 12.646 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.142 -7.765 12.602 1.00 0.00 H new ATOM 738 N ALA A 46 -2.106 -10.638 9.389 1.00 0.00 N ATOM 739 CA ALA A 46 -2.144 -12.003 8.874 1.00 0.00 C ATOM 740 C ALA A 46 -0.956 -12.292 7.956 1.00 0.00 C ATOM 741 O ALA A 46 -1.085 -13.034 6.982 1.00 0.00 O ATOM 742 CB ALA A 46 -3.452 -12.246 8.134 1.00 0.00 C ATOM 0 H ALA A 46 -2.120 -10.571 10.407 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.079 -12.683 9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.471 -13.267 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.289 -12.098 8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.534 -11.547 7.302 1.00 0.00 H new ATOM 748 N GLY A 47 0.203 -11.709 8.269 1.00 0.00 N ATOM 749 CA GLY A 47 1.391 -11.928 7.459 1.00 0.00 C ATOM 750 C GLY A 47 1.123 -11.797 5.969 1.00 0.00 C ATOM 751 O GLY A 47 1.582 -12.622 5.177 1.00 0.00 O ATOM 0 H GLY A 47 0.339 -11.090 9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.160 -11.212 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.787 -12.922 7.666 1.00 0.00 H new ATOM 755 N LYS A 48 0.380 -10.762 5.582 1.00 0.00 N ATOM 756 CA LYS A 48 0.060 -10.539 4.175 1.00 0.00 C ATOM 757 C LYS A 48 0.972 -9.473 3.571 1.00 0.00 C ATOM 758 O LYS A 48 0.859 -8.292 3.896 1.00 0.00 O ATOM 759 CB LYS A 48 -1.406 -10.122 4.024 1.00 0.00 C ATOM 760 CG LYS A 48 -2.138 -10.870 2.921 1.00 0.00 C ATOM 761 CD LYS A 48 -1.496 -10.631 1.563 1.00 0.00 C ATOM 762 CE LYS A 48 -1.406 -11.915 0.754 1.00 0.00 C ATOM 763 NZ LYS A 48 -0.366 -12.837 1.289 1.00 0.00 N ATOM 0 H LYS A 48 -0.010 -10.068 6.220 1.00 0.00 H new ATOM 0 HA LYS A 48 0.221 -11.474 3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.922 -10.288 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.452 -9.052 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.138 -11.937 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.180 -10.551 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.076 -9.892 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.498 -10.215 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.374 -12.417 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.178 -11.675 -0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.022 -13.453 0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.427 -12.282 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.776 -13.421 2.046 1.00 0.00 H new ATOM 777 N GLN A 49 1.878 -9.897 2.689 1.00 0.00 N ATOM 778 CA GLN A 49 2.805 -8.970 2.046 1.00 0.00 C ATOM 779 C GLN A 49 2.209 -8.406 0.758 1.00 0.00 C ATOM 780 O GLN A 49 1.388 -9.054 0.108 1.00 0.00 O ATOM 781 CB GLN A 49 4.137 -9.667 1.748 1.00 0.00 C ATOM 782 CG GLN A 49 5.329 -9.021 2.436 1.00 0.00 C ATOM 783 CD GLN A 49 5.158 -8.941 3.943 1.00 0.00 C ATOM 784 OE1 GLN A 49 4.415 -8.099 4.448 1.00 0.00 O ATOM 785 NE2 GLN A 49 5.847 -9.816 4.673 1.00 0.00 N ATOM 0 H GLN A 49 1.988 -10.871 2.406 1.00 0.00 H new ATOM 0 HA GLN A 49 2.984 -8.142 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.070 -10.709 2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.305 -9.666 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.230 -9.590 2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.475 -8.017 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.452 -10.498 4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.770 -9.804 5.690 1.00 0.00 H new ATOM 794 N LEU A 50 2.626 -7.194 0.392 1.00 0.00 N ATOM 795 CA LEU A 50 2.130 -6.548 -0.822 1.00 0.00 C ATOM 796 C LEU A 50 2.825 -7.088 -2.078 1.00 0.00 C ATOM 797 O LEU A 50 2.421 -6.769 -3.196 1.00 0.00 O ATOM 798 CB LEU A 50 2.320 -5.030 -0.737 1.00 0.00 C ATOM 799 CG LEU A 50 1.096 -4.252 -0.249 1.00 0.00 C ATOM 800 CD1 LEU A 50 1.500 -2.865 0.226 1.00 0.00 C ATOM 801 CD2 LEU A 50 0.052 -4.157 -1.351 1.00 0.00 C ATOM 0 H LEU A 50 3.304 -6.642 0.917 1.00 0.00 H new ATOM 0 HA LEU A 50 1.067 -6.776 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.155 -4.820 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.599 -4.658 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 50 0.659 -4.789 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.617 -2.326 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.212 -2.954 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.961 -2.319 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.812 -3.601 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.478 -3.643 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.260 -5.159 -1.644 1.00 0.00 H new ATOM 813 N GLU A 51 3.872 -7.899 -1.901 1.00 0.00 N ATOM 814 CA GLU A 51 4.600 -8.457 -3.038 1.00 0.00 C ATOM 815 C GLU A 51 3.846 -9.640 -3.648 1.00 0.00 C ATOM 816 O GLU A 51 3.771 -9.770 -4.869 1.00 0.00 O ATOM 817 CB GLU A 51 6.003 -8.897 -2.616 1.00 0.00 C ATOM 818 CG GLU A 51 7.005 -8.919 -3.759 1.00 0.00 C ATOM 819 CD GLU A 51 7.189 -10.305 -4.345 1.00 0.00 C ATOM 820 OE1 GLU A 51 7.462 -11.246 -3.571 1.00 0.00 O ATOM 821 OE2 GLU A 51 7.060 -10.450 -5.580 1.00 0.00 O ATOM 0 H GLU A 51 4.230 -8.180 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 51 4.685 -7.675 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.367 -8.225 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.945 -9.892 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.672 -8.238 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.966 -8.549 -3.402 1.00 0.00 H new ATOM 828 N ASP A 52 3.284 -10.497 -2.793 1.00 0.00 N ATOM 829 CA ASP A 52 2.535 -11.656 -3.252 1.00 0.00 C ATOM 830 C ASP A 52 1.547 -11.253 -4.332 1.00 0.00 C ATOM 831 O ASP A 52 0.611 -10.497 -4.074 1.00 0.00 O ATOM 832 CB ASP A 52 1.792 -12.318 -2.087 1.00 0.00 C ATOM 833 CG ASP A 52 2.618 -13.395 -1.410 1.00 0.00 C ATOM 834 OD1 ASP A 52 3.594 -13.045 -0.714 1.00 0.00 O ATOM 835 OD2 ASP A 52 2.290 -14.588 -1.578 1.00 0.00 O ATOM 0 H ASP A 52 3.337 -10.405 -1.779 1.00 0.00 H new ATOM 0 HA ASP A 52 3.242 -12.374 -3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.521 -11.558 -1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.862 -12.754 -2.453 1.00 0.00 H new ATOM 840 N GLY A 53 1.758 -11.754 -5.539 1.00 0.00 N ATOM 841 CA GLY A 53 0.869 -11.427 -6.639 1.00 0.00 C ATOM 842 C GLY A 53 -0.509 -12.055 -6.493 1.00 0.00 C ATOM 843 O GLY A 53 -1.039 -12.620 -7.450 1.00 0.00 O ATOM 0 H GLY A 53 2.527 -12.380 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.764 -10.344 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.318 -11.761 -7.574 1.00 0.00 H new ATOM 847 N ARG A 54 -1.100 -11.957 -5.298 1.00 0.00 N ATOM 848 CA ARG A 54 -2.422 -12.521 -5.055 1.00 0.00 C ATOM 849 C ARG A 54 -3.468 -11.414 -4.943 1.00 0.00 C ATOM 850 O ARG A 54 -3.134 -10.230 -5.000 1.00 0.00 O ATOM 851 CB ARG A 54 -2.413 -13.365 -3.779 1.00 0.00 C ATOM 852 CG ARG A 54 -1.428 -14.523 -3.821 1.00 0.00 C ATOM 853 CD ARG A 54 -1.700 -15.448 -4.998 1.00 0.00 C ATOM 854 NE ARG A 54 -0.590 -15.466 -5.948 1.00 0.00 N ATOM 855 CZ ARG A 54 0.530 -16.165 -5.765 1.00 0.00 C ATOM 856 NH1 ARG A 54 0.689 -16.904 -4.674 1.00 0.00 N ATOM 857 NH2 ARG A 54 1.494 -16.126 -6.676 1.00 0.00 N ATOM 0 H ARG A 54 -0.683 -11.494 -4.491 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.682 -13.160 -5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.171 -12.724 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.415 -13.758 -3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.412 -14.135 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.491 -15.088 -2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.879 -16.459 -4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.609 -15.128 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.677 -14.912 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.048 -16.939 -3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.548 -17.437 -4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.378 -15.561 -7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.351 -16.661 -6.535 1.00 0.00 H new ATOM 871 N THR A 55 -4.732 -11.798 -4.777 1.00 0.00 N ATOM 872 CA THR A 55 -5.810 -10.826 -4.652 1.00 0.00 C ATOM 873 C THR A 55 -6.177 -10.622 -3.182 1.00 0.00 C ATOM 874 O THR A 55 -6.156 -11.566 -2.395 1.00 0.00 O ATOM 875 CB THR A 55 -7.036 -11.280 -5.455 1.00 0.00 C ATOM 876 OG1 THR A 55 -7.937 -10.202 -5.662 1.00 0.00 O ATOM 877 CG2 THR A 55 -7.808 -12.409 -4.801 1.00 0.00 C ATOM 0 H THR A 55 -5.032 -12.772 -4.726 1.00 0.00 H new ATOM 0 HA THR A 55 -5.467 -9.874 -5.056 1.00 0.00 H new ATOM 0 HB THR A 55 -6.633 -11.643 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.556 -9.381 -5.287 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.660 -12.676 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.157 -13.276 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.162 -12.088 -3.822 1.00 0.00 H new ATOM 885 N LEU A 56 -6.502 -9.384 -2.814 1.00 0.00 N ATOM 886 CA LEU A 56 -6.861 -9.068 -1.430 1.00 0.00 C ATOM 887 C LEU A 56 -7.954 -10.005 -0.910 1.00 0.00 C ATOM 888 O LEU A 56 -7.888 -10.480 0.224 1.00 0.00 O ATOM 889 CB LEU A 56 -7.329 -7.615 -1.319 1.00 0.00 C ATOM 890 CG LEU A 56 -6.238 -6.565 -1.535 1.00 0.00 C ATOM 891 CD1 LEU A 56 -6.853 -5.183 -1.689 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.247 -6.583 -0.381 1.00 0.00 C ATOM 0 H LEU A 56 -6.525 -8.587 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.970 -9.208 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.122 -7.448 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.766 -7.465 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.702 -6.807 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.063 -4.448 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.525 -5.177 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.413 -4.932 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.477 -5.830 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.769 -6.365 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.783 -7.567 -0.315 1.00 0.00 H new ATOM 904 N SER A 57 -8.961 -10.261 -1.740 1.00 0.00 N ATOM 905 CA SER A 57 -10.070 -11.133 -1.354 1.00 0.00 C ATOM 906 C SER A 57 -9.585 -12.508 -0.879 1.00 0.00 C ATOM 907 O SER A 57 -10.255 -13.156 -0.075 1.00 0.00 O ATOM 908 CB SER A 57 -11.049 -11.302 -2.520 1.00 0.00 C ATOM 909 OG SER A 57 -11.912 -12.405 -2.307 1.00 0.00 O ATOM 0 H SER A 57 -9.034 -9.879 -2.683 1.00 0.00 H new ATOM 0 HA SER A 57 -10.579 -10.653 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.639 -10.393 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.494 -11.445 -3.447 1.00 0.00 H new ATOM 0 HG SER A 57 -12.528 -12.490 -3.065 1.00 0.00 H new ATOM 915 N ASP A 58 -8.431 -12.961 -1.373 1.00 0.00 N ATOM 916 CA ASP A 58 -7.899 -14.268 -0.978 1.00 0.00 C ATOM 917 C ASP A 58 -7.795 -14.396 0.543 1.00 0.00 C ATOM 918 O ASP A 58 -8.101 -15.447 1.103 1.00 0.00 O ATOM 919 CB ASP A 58 -6.527 -14.516 -1.612 1.00 0.00 C ATOM 920 CG ASP A 58 -6.630 -15.038 -3.031 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.632 -15.714 -3.343 1.00 0.00 O ATOM 922 OD2 ASP A 58 -5.709 -14.770 -3.831 1.00 0.00 O ATOM 0 H ASP A 58 -7.852 -12.450 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.599 -15.021 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.956 -13.587 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.973 -15.232 -1.004 1.00 0.00 H new ATOM 927 N TYR A 59 -7.357 -13.327 1.210 1.00 0.00 N ATOM 928 CA TYR A 59 -7.217 -13.346 2.666 1.00 0.00 C ATOM 929 C TYR A 59 -8.374 -12.622 3.361 1.00 0.00 C ATOM 930 O TYR A 59 -8.257 -12.235 4.524 1.00 0.00 O ATOM 931 CB TYR A 59 -5.887 -12.709 3.075 1.00 0.00 C ATOM 932 CG TYR A 59 -4.704 -13.643 2.951 1.00 0.00 C ATOM 933 CD1 TYR A 59 -4.132 -13.909 1.713 1.00 0.00 C ATOM 934 CD2 TYR A 59 -4.160 -14.257 4.072 1.00 0.00 C ATOM 935 CE1 TYR A 59 -3.051 -14.762 1.597 1.00 0.00 C ATOM 936 CE2 TYR A 59 -3.079 -15.110 3.963 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.528 -15.359 2.724 1.00 0.00 C ATOM 938 OH TYR A 59 -1.451 -16.208 2.610 1.00 0.00 O ATOM 0 H TYR A 59 -7.095 -12.445 0.770 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.238 -14.389 2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.710 -11.829 2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.961 -12.365 4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.538 -13.442 0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.589 -14.064 5.044 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.618 -14.960 0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.667 -15.580 4.844 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.204 -16.544 3.497 1.00 0.00 H new ATOM 948 N ASN A 60 -9.493 -12.441 2.653 1.00 0.00 N ATOM 949 CA ASN A 60 -10.660 -11.767 3.219 1.00 0.00 C ATOM 950 C ASN A 60 -10.379 -10.295 3.550 1.00 0.00 C ATOM 951 O ASN A 60 -11.156 -9.663 4.264 1.00 0.00 O ATOM 952 CB ASN A 60 -11.132 -12.498 4.478 1.00 0.00 C ATOM 953 CG ASN A 60 -12.645 -12.525 4.601 1.00 0.00 C ATOM 954 OD1 ASN A 60 -13.347 -11.823 3.872 1.00 0.00 O ATOM 955 ND2 ASN A 60 -13.160 -13.336 5.523 1.00 0.00 N ATOM 0 H ASN A 60 -9.613 -12.752 1.689 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.443 -11.791 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.753 -13.520 4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.708 -12.013 5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.171 -13.392 5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.543 -13.901 6.107 1.00 0.00 H new ATOM 962 N ILE A 61 -9.279 -9.744 3.030 1.00 0.00 N ATOM 963 CA ILE A 61 -8.940 -8.347 3.284 1.00 0.00 C ATOM 964 C ILE A 61 -9.556 -7.435 2.222 1.00 0.00 C ATOM 965 O ILE A 61 -8.843 -6.765 1.475 1.00 0.00 O ATOM 966 CB ILE A 61 -7.411 -8.138 3.328 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.080 -6.706 3.747 1.00 0.00 C ATOM 968 CG2 ILE A 61 -6.784 -8.466 1.979 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.733 -6.576 5.214 1.00 0.00 C ATOM 0 H ILE A 61 -8.615 -10.241 2.436 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.352 -8.086 4.259 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.991 -8.818 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.243 -6.344 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.932 -6.064 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.706 -8.312 2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.990 -9.506 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.206 -7.815 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.509 -5.534 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.577 -6.907 5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.862 -7.192 5.438 1.00 0.00 H new ATOM 981 N GLN A 62 -10.887 -7.423 2.151 1.00 0.00 N ATOM 982 CA GLN A 62 -11.591 -6.604 1.168 1.00 0.00 C ATOM 983 C GLN A 62 -12.015 -5.257 1.762 1.00 0.00 C ATOM 984 O GLN A 62 -11.633 -4.918 2.882 1.00 0.00 O ATOM 985 CB GLN A 62 -12.810 -7.365 0.637 1.00 0.00 C ATOM 986 CG GLN A 62 -13.917 -7.546 1.664 1.00 0.00 C ATOM 987 CD GLN A 62 -14.035 -8.978 2.151 1.00 0.00 C ATOM 988 OE1 GLN A 62 -13.030 -9.669 2.323 1.00 0.00 O ATOM 989 NE2 GLN A 62 -15.264 -9.437 2.377 1.00 0.00 N ATOM 0 H GLN A 62 -11.496 -7.969 2.760 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.909 -6.398 0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.211 -6.833 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.489 -8.346 0.286 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.728 -6.892 2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.866 -7.236 1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.071 -8.832 2.222 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.399 -10.393 2.705 1.00 0.00 H new ATOM 998 N LYS A 63 -12.798 -4.488 0.994 1.00 0.00 N ATOM 999 CA LYS A 63 -13.269 -3.169 1.431 1.00 0.00 C ATOM 1000 C LYS A 63 -13.658 -3.161 2.911 1.00 0.00 C ATOM 1001 O LYS A 63 -13.986 -4.201 3.482 1.00 0.00 O ATOM 1002 CB LYS A 63 -14.464 -2.718 0.583 1.00 0.00 C ATOM 1003 CG LYS A 63 -14.371 -1.273 0.122 1.00 0.00 C ATOM 1004 CD LYS A 63 -15.564 -0.881 -0.738 1.00 0.00 C ATOM 1005 CE LYS A 63 -15.155 -0.630 -2.181 1.00 0.00 C ATOM 1006 NZ LYS A 63 -14.990 0.823 -2.467 1.00 0.00 N ATOM 0 H LYS A 63 -13.119 -4.759 0.064 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.441 -2.473 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.544 -3.365 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.379 -2.848 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.316 -0.616 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.451 -1.130 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.313 -1.672 -0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.029 0.016 -0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.220 -1.149 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.907 -1.048 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.614 0.947 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.912 1.298 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.329 1.239 -1.780 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.613 -1.977 3.525 1.00 0.00 N ATOM 1021 CA GLU A 64 -13.954 -1.823 4.937 1.00 0.00 C ATOM 1022 C GLU A 64 -12.963 -2.560 5.846 1.00 0.00 C ATOM 1023 O GLU A 64 -13.246 -2.781 7.023 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.373 -2.330 5.198 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.425 -1.678 4.315 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.703 -0.239 4.704 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -16.388 0.137 5.852 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -17.234 0.512 3.859 1.00 0.00 O ATOM 0 H GLU A 64 -13.342 -1.109 3.063 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.898 -0.760 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.399 -3.409 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.627 -2.152 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.095 -1.712 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.350 -2.252 4.374 1.00 0.00 H new ATOM 1035 N SER A 65 -11.799 -2.934 5.306 1.00 0.00 N ATOM 1036 CA SER A 65 -10.789 -3.635 6.092 1.00 0.00 C ATOM 1037 C SER A 65 -10.052 -2.672 7.022 1.00 0.00 C ATOM 1038 O SER A 65 -9.824 -1.514 6.671 1.00 0.00 O ATOM 1039 CB SER A 65 -9.784 -4.340 5.176 1.00 0.00 C ATOM 1040 OG SER A 65 -9.295 -3.457 4.181 1.00 0.00 O ATOM 0 H SER A 65 -11.538 -2.763 4.335 1.00 0.00 H new ATOM 0 HA SER A 65 -11.301 -4.382 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.953 -4.722 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.259 -5.199 4.703 1.00 0.00 H new ATOM 0 HG SER A 65 -9.839 -3.544 3.370 1.00 0.00 H new ATOM 1046 N THR A 66 -9.667 -3.158 8.201 1.00 0.00 N ATOM 1047 CA THR A 66 -8.942 -2.335 9.162 1.00 0.00 C ATOM 1048 C THR A 66 -7.443 -2.603 9.055 1.00 0.00 C ATOM 1049 O THR A 66 -6.870 -3.314 9.880 1.00 0.00 O ATOM 1050 CB THR A 66 -9.426 -2.620 10.586 1.00 0.00 C ATOM 1051 OG1 THR A 66 -9.547 -4.014 10.804 1.00 0.00 O ATOM 1052 CG2 THR A 66 -10.764 -1.987 10.902 1.00 0.00 C ATOM 0 H THR A 66 -9.845 -4.113 8.511 1.00 0.00 H new ATOM 0 HA THR A 66 -9.133 -1.286 8.934 1.00 0.00 H new ATOM 0 HB THR A 66 -8.673 -2.182 11.241 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.696 -4.453 10.594 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.048 -2.228 11.926 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.690 -0.905 10.791 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.519 -2.371 10.216 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.811 -2.042 8.023 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.382 -2.241 7.806 1.00 0.00 C ATOM 1062 C LEU A 67 -4.565 -1.051 8.303 1.00 0.00 C ATOM 1063 O LEU A 67 -4.873 0.100 7.992 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.098 -2.474 6.320 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.201 -3.929 5.863 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -5.023 -4.027 4.355 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.171 -4.786 6.581 1.00 0.00 C ATOM 0 H LEU A 67 -7.266 -1.449 7.329 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.084 -3.120 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.795 -1.875 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.096 -2.108 6.095 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.194 -4.302 6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.099 -5.070 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.799 -3.444 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.043 -3.637 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.258 -5.819 6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.170 -4.415 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.345 -4.739 7.656 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.511 -1.338 9.067 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.639 -0.296 9.592 1.00 0.00 C ATOM 1081 C HIS A 68 -1.301 -0.306 8.856 1.00 0.00 C ATOM 1082 O HIS A 68 -0.760 -1.370 8.559 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.418 -0.493 11.095 1.00 0.00 C ATOM 1084 CG HIS A 68 -2.920 0.645 11.929 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -2.098 1.419 12.720 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -4.170 1.140 12.091 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -2.820 2.339 13.334 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.080 2.191 12.969 1.00 0.00 N ATOM 0 H HIS A 68 -3.243 -2.285 9.334 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.118 0.670 9.434 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.916 -1.410 11.410 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.353 -0.628 11.283 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.070 0.776 11.618 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.444 3.085 14.018 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.861 2.765 13.288 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.769 0.878 8.562 1.00 0.00 N ATOM 1098 CA LEU A 69 0.506 0.980 7.857 1.00 0.00 C ATOM 1099 C LEU A 69 1.664 1.114 8.844 1.00 0.00 C ATOM 1100 O LEU A 69 1.741 2.087 9.593 1.00 0.00 O ATOM 1101 CB LEU A 69 0.494 2.172 6.896 1.00 0.00 C ATOM 1102 CG LEU A 69 1.078 1.892 5.511 1.00 0.00 C ATOM 1103 CD1 LEU A 69 2.464 1.278 5.629 1.00 0.00 C ATOM 1104 CD2 LEU A 69 0.153 0.979 4.718 1.00 0.00 C ATOM 0 H LEU A 69 -1.197 1.773 8.799 1.00 0.00 H new ATOM 0 HA LEU A 69 0.647 0.065 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.534 2.514 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.052 2.991 7.350 1.00 0.00 H new ATOM 0 HG LEU A 69 1.168 2.838 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.863 1.086 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.123 1.967 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.401 0.340 6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.584 0.790 3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.031 0.035 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.819 1.458 4.602 1.00 0.00 H new ATOM 1116 N VAL A 70 2.561 0.128 8.845 1.00 0.00 N ATOM 1117 CA VAL A 70 3.706 0.142 9.745 1.00 0.00 C ATOM 1118 C VAL A 70 5.019 0.266 8.974 1.00 0.00 C ATOM 1119 O VAL A 70 5.136 -0.225 7.851 1.00 0.00 O ATOM 1120 CB VAL A 70 3.748 -1.129 10.616 1.00 0.00 C ATOM 1121 CG1 VAL A 70 3.899 -2.371 9.748 1.00 0.00 C ATOM 1122 CG2 VAL A 70 4.874 -1.043 11.637 1.00 0.00 C ATOM 0 H VAL A 70 2.514 -0.687 8.233 1.00 0.00 H new ATOM 0 HA VAL A 70 3.590 1.013 10.390 1.00 0.00 H new ATOM 0 HB VAL A 70 2.804 -1.205 11.156 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.927 -3.257 10.382 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.054 -2.441 9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.825 -2.305 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.887 -1.950 12.242 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.827 -0.939 11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.715 -0.179 12.282 1.00 0.00 H new ATOM 1132 N LEU A 71 6.006 0.917 9.585 1.00 0.00 N ATOM 1133 CA LEU A 71 7.311 1.090 8.949 1.00 0.00 C ATOM 1134 C LEU A 71 8.154 -0.174 9.102 1.00 0.00 C ATOM 1135 O LEU A 71 9.028 -0.247 9.966 1.00 0.00 O ATOM 1136 CB LEU A 71 8.054 2.291 9.546 1.00 0.00 C ATOM 1137 CG LEU A 71 8.223 2.264 11.070 1.00 0.00 C ATOM 1138 CD1 LEU A 71 9.695 2.225 11.449 1.00 0.00 C ATOM 1139 CD2 LEU A 71 7.540 3.466 11.706 1.00 0.00 C ATOM 0 H LEU A 71 5.929 1.331 10.514 1.00 0.00 H new ATOM 0 HA LEU A 71 7.146 1.277 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.041 2.351 9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.520 3.201 9.272 1.00 0.00 H new ATOM 0 HG LEU A 71 7.749 1.358 11.448 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.791 2.206 12.535 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.155 1.331 11.029 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.196 3.110 11.056 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.671 3.429 12.787 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.983 4.383 11.318 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.476 3.448 11.469 1.00 0.00 H new