USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 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 2 GLN : amide:sc= -0.0643 K(o=0.036,f=-2.7!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -170:sc= 0.101 (180deg=0) USER MOD Set 2.1: A 22 THR OG1 : rot -81:sc= 0.532 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.373 K(o=0.9,f=0.051) USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0478) USER MOD Single : A 7 THR OG1 : rot 110:sc= -1.18 USER MOD Single : A 9 THR OG1 : rot -40:sc= -0.824 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= -5.03! (180deg=-5.92!) USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -2.63 (180deg=-4.06!) USER MOD Single : A 31 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.0039) USER MOD Single : A 33 LYS NZ :NH3+ 141:sc= -0.861 (180deg=-3.68!) USER MOD Single : A 40 GLN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.598 K(o=-0.6,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.786) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -1.74 USER MOD Single : A 60 ASN :FLIP amide:sc= 0.53 F(o=-0.87,f=0.53) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 65 SER OG : rot -89:sc= 0.632 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -0.713 F(o=-1.4,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -15.130 1.749 1.542 1.00 0.00 N ATOM 21 CA GLN A 2 -14.529 2.699 2.472 1.00 0.00 C ATOM 22 C GLN A 2 -13.616 1.980 3.463 1.00 0.00 C ATOM 23 O GLN A 2 -14.026 1.018 4.110 1.00 0.00 O ATOM 24 CB GLN A 2 -15.615 3.471 3.226 1.00 0.00 C ATOM 25 CG GLN A 2 -16.434 4.394 2.337 1.00 0.00 C ATOM 26 CD GLN A 2 -17.918 4.345 2.653 1.00 0.00 C ATOM 27 OE1 GLN A 2 -18.331 3.745 3.645 1.00 0.00 O ATOM 28 NE2 GLN A 2 -18.732 4.978 1.809 1.00 0.00 N ATOM 0 HA GLN A 2 -13.931 3.405 1.896 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.284 2.760 3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.149 4.060 4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.075 5.417 2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.279 4.119 1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.348 5.464 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.739 4.977 1.974 1.00 0.00 H new ATOM 37 N ILE A 3 -12.375 2.452 3.576 1.00 0.00 N ATOM 38 CA ILE A 3 -11.411 1.846 4.487 1.00 0.00 C ATOM 39 C ILE A 3 -10.590 2.912 5.209 1.00 0.00 C ATOM 40 O ILE A 3 -10.700 4.101 4.904 1.00 0.00 O ATOM 41 CB ILE A 3 -10.454 0.897 3.741 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.783 1.628 2.577 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.206 -0.328 3.242 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.772 0.781 1.834 1.00 0.00 C ATOM 0 H ILE A 3 -12.017 3.249 3.050 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.983 1.274 5.218 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.679 0.566 4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.550 1.962 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.287 2.521 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.517 -0.989 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.642 -0.857 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.999 -0.016 2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.336 1.363 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.985 0.469 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.266 -0.100 1.424 1.00 0.00 H new ATOM 56 N PHE A 4 -9.769 2.486 6.167 1.00 0.00 N ATOM 57 CA PHE A 4 -8.937 3.413 6.925 1.00 0.00 C ATOM 58 C PHE A 4 -7.455 3.100 6.729 1.00 0.00 C ATOM 59 O PHE A 4 -6.919 2.184 7.352 1.00 0.00 O ATOM 60 CB PHE A 4 -9.292 3.351 8.411 1.00 0.00 C ATOM 61 CG PHE A 4 -10.504 4.162 8.771 1.00 0.00 C ATOM 62 CD1 PHE A 4 -10.378 5.490 9.145 1.00 0.00 C ATOM 63 CD2 PHE A 4 -11.768 3.596 8.736 1.00 0.00 C ATOM 64 CE1 PHE A 4 -11.490 6.239 9.478 1.00 0.00 C ATOM 65 CE2 PHE A 4 -12.884 4.341 9.068 1.00 0.00 C ATOM 66 CZ PHE A 4 -12.746 5.663 9.439 1.00 0.00 C ATOM 0 H PHE A 4 -9.663 1.507 6.435 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.129 4.420 6.555 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.463 2.312 8.693 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.442 3.704 8.995 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.399 5.945 9.177 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.883 2.562 8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -11.378 7.273 9.768 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -13.864 3.888 9.037 1.00 0.00 H new ATOM 0 HZ PHE A 4 -13.617 6.246 9.698 1.00 0.00 H new ATOM 76 N VAL A 5 -6.796 3.865 5.861 1.00 0.00 N ATOM 77 CA VAL A 5 -5.378 3.664 5.590 1.00 0.00 C ATOM 78 C VAL A 5 -4.532 4.744 6.259 1.00 0.00 C ATOM 79 O VAL A 5 -4.983 5.876 6.433 1.00 0.00 O ATOM 80 CB VAL A 5 -5.089 3.666 4.078 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.648 3.260 3.809 1.00 0.00 C ATOM 82 CG2 VAL A 5 -6.055 2.744 3.348 1.00 0.00 C ATOM 0 H VAL A 5 -7.222 4.628 5.335 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.113 2.690 6.002 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.234 4.678 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.462 3.267 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.974 3.963 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.473 2.258 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.835 2.758 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.945 1.728 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.077 3.084 3.513 1.00 0.00 H new ATOM 92 N LYS A 6 -3.303 4.391 6.633 1.00 0.00 N ATOM 93 CA LYS A 6 -2.404 5.337 7.282 1.00 0.00 C ATOM 94 C LYS A 6 -1.294 5.776 6.327 1.00 0.00 C ATOM 95 O LYS A 6 -0.591 4.942 5.756 1.00 0.00 O ATOM 96 CB LYS A 6 -1.798 4.716 8.543 1.00 0.00 C ATOM 97 CG LYS A 6 -2.199 5.430 9.825 1.00 0.00 C ATOM 98 CD LYS A 6 -2.344 4.457 10.984 1.00 0.00 C ATOM 99 CE LYS A 6 -1.204 4.601 11.980 1.00 0.00 C ATOM 100 NZ LYS A 6 0.121 4.349 11.347 1.00 0.00 N ATOM 0 H LYS A 6 -2.910 3.459 6.497 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.983 6.216 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.104 3.672 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.711 4.725 8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.451 6.183 10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.141 5.956 9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.294 4.631 11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.368 3.436 10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.218 5.604 12.406 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.351 3.903 12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.855 4.306 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.094 3.446 10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.341 5.119 10.684 1.00 0.00 H new ATOM 114 N THR A 7 -1.148 7.087 6.151 1.00 0.00 N ATOM 115 CA THR A 7 -0.128 7.626 5.257 1.00 0.00 C ATOM 116 C THR A 7 1.117 8.089 6.037 1.00 0.00 C ATOM 117 O THR A 7 1.286 7.736 7.204 1.00 0.00 O ATOM 118 CB THR A 7 -0.720 8.760 4.415 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.971 9.905 5.210 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.016 8.367 3.735 1.00 0.00 C ATOM 0 H THR A 7 -1.721 7.793 6.614 1.00 0.00 H new ATOM 0 HA THR A 7 0.199 6.833 4.585 1.00 0.00 H new ATOM 0 HB THR A 7 0.025 8.981 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.338 10.614 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.391 9.208 3.152 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.838 7.519 3.074 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.753 8.091 4.489 1.00 0.00 H new ATOM 128 N LEU A 8 1.997 8.851 5.379 1.00 0.00 N ATOM 129 CA LEU A 8 3.232 9.325 5.999 1.00 0.00 C ATOM 130 C LEU A 8 2.956 10.316 7.128 1.00 0.00 C ATOM 131 O LEU A 8 3.571 10.242 8.192 1.00 0.00 O ATOM 132 CB LEU A 8 4.171 9.924 4.930 1.00 0.00 C ATOM 133 CG LEU A 8 4.085 11.442 4.721 1.00 0.00 C ATOM 134 CD1 LEU A 8 5.402 11.976 4.180 1.00 0.00 C ATOM 135 CD2 LEU A 8 2.938 11.790 3.780 1.00 0.00 C ATOM 0 H LEU A 8 1.873 9.152 4.412 1.00 0.00 H new ATOM 0 HA LEU A 8 3.733 8.470 6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.197 9.673 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.961 9.435 3.978 1.00 0.00 H new ATOM 0 HG LEU A 8 3.890 11.913 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.326 13.054 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.201 11.760 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.624 11.498 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.894 12.871 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.100 11.310 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.998 11.439 4.206 1.00 0.00 H new ATOM 147 N THR A 9 2.039 11.251 6.888 1.00 0.00 N ATOM 148 CA THR A 9 1.705 12.258 7.886 1.00 0.00 C ATOM 149 C THR A 9 0.293 12.049 8.436 1.00 0.00 C ATOM 150 O THR A 9 -0.516 12.977 8.466 1.00 0.00 O ATOM 151 CB THR A 9 1.840 13.656 7.282 1.00 0.00 C ATOM 152 OG1 THR A 9 3.097 13.804 6.642 1.00 0.00 O ATOM 153 CG2 THR A 9 1.715 14.767 8.303 1.00 0.00 C ATOM 0 H THR A 9 1.518 11.330 6.015 1.00 0.00 H new ATOM 0 HA THR A 9 2.403 12.158 8.717 1.00 0.00 H new ATOM 0 HB THR A 9 1.018 13.744 6.572 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.792 13.373 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.821 15.731 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.738 14.711 8.783 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.496 14.659 9.056 1.00 0.00 H new ATOM 161 N GLY A 10 0.005 10.824 8.881 1.00 0.00 N ATOM 162 CA GLY A 10 -1.304 10.512 9.435 1.00 0.00 C ATOM 163 C GLY A 10 -2.454 11.079 8.619 1.00 0.00 C ATOM 164 O GLY A 10 -3.432 11.574 9.179 1.00 0.00 O ATOM 0 H GLY A 10 0.658 10.041 8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.414 9.430 9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.363 10.901 10.451 1.00 0.00 H new ATOM 168 N LYS A 11 -2.344 11.006 7.294 1.00 0.00 N ATOM 169 CA LYS A 11 -3.392 11.515 6.415 1.00 0.00 C ATOM 170 C LYS A 11 -4.492 10.472 6.220 1.00 0.00 C ATOM 171 O LYS A 11 -4.207 9.297 5.990 1.00 0.00 O ATOM 172 CB LYS A 11 -2.809 11.920 5.058 1.00 0.00 C ATOM 173 CG LYS A 11 -3.633 12.969 4.330 1.00 0.00 C ATOM 174 CD LYS A 11 -2.975 13.389 3.026 1.00 0.00 C ATOM 175 CE LYS A 11 -3.871 14.315 2.221 1.00 0.00 C ATOM 176 NZ LYS A 11 -3.089 15.356 1.498 1.00 0.00 N ATOM 0 H LYS A 11 -1.544 10.601 6.808 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.827 12.396 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.799 12.302 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.726 11.034 4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.628 12.574 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.762 13.841 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.031 13.890 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.740 12.504 2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.446 13.730 1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.587 14.796 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.737 15.967 0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.560 15.931 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.423 14.898 0.843 1.00 0.00 H new ATOM 190 N THR A 12 -5.748 10.906 6.312 1.00 0.00 N ATOM 191 CA THR A 12 -6.879 9.998 6.144 1.00 0.00 C ATOM 192 C THR A 12 -7.457 10.102 4.733 1.00 0.00 C ATOM 193 O THR A 12 -8.065 11.111 4.375 1.00 0.00 O ATOM 194 CB THR A 12 -7.966 10.299 7.178 1.00 0.00 C ATOM 195 OG1 THR A 12 -9.009 9.343 7.101 1.00 0.00 O ATOM 196 CG2 THR A 12 -8.589 11.669 7.018 1.00 0.00 C ATOM 0 H THR A 12 -6.006 11.875 6.501 1.00 0.00 H new ATOM 0 HA THR A 12 -6.519 8.981 6.296 1.00 0.00 H new ATOM 0 HB THR A 12 -7.461 10.260 8.143 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.694 9.551 7.771 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.351 11.814 7.784 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.819 12.433 7.123 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.047 11.748 6.032 1.00 0.00 H new ATOM 204 N ILE A 13 -7.265 9.054 3.933 1.00 0.00 N ATOM 205 CA ILE A 13 -7.769 9.037 2.566 1.00 0.00 C ATOM 206 C ILE A 13 -8.647 7.813 2.316 1.00 0.00 C ATOM 207 O ILE A 13 -8.657 6.874 3.112 1.00 0.00 O ATOM 208 CB ILE A 13 -6.617 9.043 1.543 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.705 7.831 1.758 1.00 0.00 C ATOM 210 CG2 ILE A 13 -5.824 10.337 1.648 1.00 0.00 C ATOM 211 CD1 ILE A 13 -5.465 7.024 0.501 1.00 0.00 C ATOM 0 H ILE A 13 -6.765 8.209 4.210 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.365 9.941 2.439 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.040 8.979 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.747 8.173 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.147 7.184 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.013 10.327 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.481 11.184 1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.409 10.429 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.811 6.182 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.416 6.652 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.995 7.656 -0.253 1.00 0.00 H new ATOM 223 N THR A 14 -9.380 7.824 1.203 1.00 0.00 N ATOM 224 CA THR A 14 -10.254 6.711 0.854 1.00 0.00 C ATOM 225 C THR A 14 -9.602 5.826 -0.209 1.00 0.00 C ATOM 226 O THR A 14 -8.838 6.310 -1.044 1.00 0.00 O ATOM 227 CB THR A 14 -11.605 7.233 0.352 1.00 0.00 C ATOM 228 OG1 THR A 14 -12.542 6.175 0.216 1.00 0.00 O ATOM 229 CG2 THR A 14 -11.515 7.951 -0.979 1.00 0.00 C ATOM 0 H THR A 14 -9.384 8.591 0.531 1.00 0.00 H new ATOM 0 HA THR A 14 -10.419 6.111 1.749 1.00 0.00 H new ATOM 0 HB THR A 14 -11.933 7.947 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.396 6.534 -0.104 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.506 8.294 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.847 8.808 -0.886 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.126 7.269 -1.735 1.00 0.00 H new ATOM 237 N LEU A 15 -9.905 4.530 -0.174 1.00 0.00 N ATOM 238 CA LEU A 15 -9.339 3.592 -1.138 1.00 0.00 C ATOM 239 C LEU A 15 -10.396 2.604 -1.628 1.00 0.00 C ATOM 240 O LEU A 15 -10.825 1.722 -0.884 1.00 0.00 O ATOM 241 CB LEU A 15 -8.163 2.835 -0.513 1.00 0.00 C ATOM 242 CG LEU A 15 -6.850 2.923 -1.293 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.665 2.977 -0.342 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.717 1.742 -2.245 1.00 0.00 C ATOM 0 H LEU A 15 -10.536 4.108 0.508 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.981 4.163 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.997 3.219 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.439 1.785 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.860 3.841 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.740 3.039 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.753 3.853 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.650 2.077 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.778 1.820 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.729 0.813 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.549 1.747 -2.949 1.00 0.00 H new ATOM 256 N GLU A 16 -10.812 2.752 -2.886 1.00 0.00 N ATOM 257 CA GLU A 16 -11.814 1.866 -3.467 1.00 0.00 C ATOM 258 C GLU A 16 -11.154 0.813 -4.355 1.00 0.00 C ATOM 259 O GLU A 16 -10.231 1.121 -5.110 1.00 0.00 O ATOM 260 CB GLU A 16 -12.832 2.670 -4.277 1.00 0.00 C ATOM 261 CG GLU A 16 -12.217 3.442 -5.434 1.00 0.00 C ATOM 262 CD GLU A 16 -12.139 4.933 -5.165 1.00 0.00 C ATOM 263 OE1 GLU A 16 -11.147 5.374 -4.547 1.00 0.00 O ATOM 264 OE2 GLU A 16 -13.068 5.659 -5.575 1.00 0.00 O ATOM 0 H GLU A 16 -10.470 3.476 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.332 1.359 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.591 1.992 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.340 3.370 -3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.215 3.059 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.806 3.269 -6.335 1.00 0.00 H new ATOM 271 N VAL A 17 -11.624 -0.428 -4.260 1.00 0.00 N ATOM 272 CA VAL A 17 -11.066 -1.514 -5.058 1.00 0.00 C ATOM 273 C VAL A 17 -12.161 -2.448 -5.571 1.00 0.00 C ATOM 274 O VAL A 17 -13.188 -2.632 -4.918 1.00 0.00 O ATOM 275 CB VAL A 17 -10.049 -2.337 -4.247 1.00 0.00 C ATOM 276 CG1 VAL A 17 -9.332 -3.336 -5.142 1.00 0.00 C ATOM 277 CG2 VAL A 17 -9.051 -1.420 -3.554 1.00 0.00 C ATOM 0 H VAL A 17 -12.386 -0.705 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.562 -1.052 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.590 -2.894 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.618 -3.908 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.060 -4.014 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.804 -2.803 -5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.340 -2.019 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.516 -0.834 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.582 -0.749 -2.878 1.00 0.00 H new ATOM 287 N GLU A 18 -11.933 -3.039 -6.743 1.00 0.00 N ATOM 288 CA GLU A 18 -12.901 -3.959 -7.335 1.00 0.00 C ATOM 289 C GLU A 18 -12.531 -5.408 -7.021 1.00 0.00 C ATOM 290 O GLU A 18 -11.376 -5.711 -6.720 1.00 0.00 O ATOM 291 CB GLU A 18 -12.990 -3.749 -8.852 1.00 0.00 C ATOM 292 CG GLU A 18 -11.649 -3.808 -9.566 1.00 0.00 C ATOM 293 CD GLU A 18 -11.795 -3.973 -11.066 1.00 0.00 C ATOM 294 OE1 GLU A 18 -12.525 -3.169 -11.683 1.00 0.00 O ATOM 295 OE2 GLU A 18 -11.181 -4.906 -11.624 1.00 0.00 O ATOM 0 H GLU A 18 -11.090 -2.898 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.878 -3.750 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.649 -4.508 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.452 -2.781 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.090 -2.896 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.066 -4.638 -9.168 1.00 0.00 H new ATOM 302 N PRO A 19 -13.511 -6.326 -7.074 1.00 0.00 N ATOM 303 CA PRO A 19 -13.287 -7.748 -6.784 1.00 0.00 C ATOM 304 C PRO A 19 -12.163 -8.362 -7.620 1.00 0.00 C ATOM 305 O PRO A 19 -11.425 -9.220 -7.137 1.00 0.00 O ATOM 306 CB PRO A 19 -14.630 -8.411 -7.128 1.00 0.00 C ATOM 307 CG PRO A 19 -15.396 -7.391 -7.902 1.00 0.00 C ATOM 308 CD PRO A 19 -14.916 -6.057 -7.412 1.00 0.00 C ATOM 0 HA PRO A 19 -12.975 -7.893 -5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.481 -9.317 -7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.166 -8.701 -6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.221 -7.500 -8.972 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.468 -7.503 -7.742 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.008 -5.287 -8.178 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.483 -5.715 -6.546 1.00 0.00 H new ATOM 316 N SER A 20 -12.038 -7.932 -8.876 1.00 0.00 N ATOM 317 CA SER A 20 -11.001 -8.463 -9.761 1.00 0.00 C ATOM 318 C SER A 20 -9.689 -7.674 -9.655 1.00 0.00 C ATOM 319 O SER A 20 -8.720 -7.993 -10.344 1.00 0.00 O ATOM 320 CB SER A 20 -11.489 -8.461 -11.211 1.00 0.00 C ATOM 321 OG SER A 20 -10.984 -9.580 -11.920 1.00 0.00 O ATOM 0 H SER A 20 -12.636 -7.224 -9.301 1.00 0.00 H new ATOM 0 HA SER A 20 -10.800 -9.486 -9.442 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.579 -8.475 -11.231 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.173 -7.541 -11.703 1.00 0.00 H new ATOM 0 HG SER A 20 -11.311 -9.557 -12.843 1.00 0.00 H new ATOM 327 N ASP A 21 -9.652 -6.651 -8.799 1.00 0.00 N ATOM 328 CA ASP A 21 -8.441 -5.847 -8.636 1.00 0.00 C ATOM 329 C ASP A 21 -7.390 -6.598 -7.821 1.00 0.00 C ATOM 330 O ASP A 21 -7.673 -7.080 -6.724 1.00 0.00 O ATOM 331 CB ASP A 21 -8.763 -4.508 -7.964 1.00 0.00 C ATOM 332 CG ASP A 21 -8.478 -3.323 -8.867 1.00 0.00 C ATOM 333 OD1 ASP A 21 -7.646 -3.464 -9.788 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.086 -2.253 -8.652 1.00 0.00 O ATOM 0 H ASP A 21 -10.437 -6.363 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.037 -5.654 -9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.813 -4.494 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.177 -4.414 -7.050 1.00 0.00 H new ATOM 339 N THR A 22 -6.173 -6.686 -8.355 1.00 0.00 N ATOM 340 CA THR A 22 -5.087 -7.370 -7.661 1.00 0.00 C ATOM 341 C THR A 22 -4.396 -6.422 -6.681 1.00 0.00 C ATOM 342 O THR A 22 -4.508 -5.203 -6.804 1.00 0.00 O ATOM 343 CB THR A 22 -4.069 -7.930 -8.661 1.00 0.00 C ATOM 344 OG1 THR A 22 -3.234 -6.899 -9.169 1.00 0.00 O ATOM 345 CG2 THR A 22 -4.712 -8.631 -9.841 1.00 0.00 C ATOM 0 H THR A 22 -5.916 -6.294 -9.261 1.00 0.00 H new ATOM 0 HA THR A 22 -5.514 -8.202 -7.101 1.00 0.00 H new ATOM 0 HB THR A 22 -3.487 -8.660 -8.099 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.701 -6.424 -9.887 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.936 -9.003 -10.510 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.315 -9.466 -9.484 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.348 -7.928 -10.379 1.00 0.00 H new ATOM 353 N ILE A 23 -3.685 -6.986 -5.704 1.00 0.00 N ATOM 354 CA ILE A 23 -2.989 -6.175 -4.707 1.00 0.00 C ATOM 355 C ILE A 23 -1.993 -5.215 -5.362 1.00 0.00 C ATOM 356 O ILE A 23 -1.817 -4.087 -4.903 1.00 0.00 O ATOM 357 CB ILE A 23 -2.245 -7.051 -3.676 1.00 0.00 C ATOM 358 CG1 ILE A 23 -1.663 -6.183 -2.558 1.00 0.00 C ATOM 359 CG2 ILE A 23 -1.149 -7.861 -4.354 1.00 0.00 C ATOM 360 CD1 ILE A 23 -1.933 -6.723 -1.171 1.00 0.00 C ATOM 0 H ILE A 23 -3.577 -7.993 -5.583 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.755 -5.597 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.959 -7.746 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.586 -6.094 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.079 -5.178 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.636 -8.472 -3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.591 -8.507 -5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.435 -7.185 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.492 -6.057 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.009 -6.786 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.493 -7.716 -1.075 1.00 0.00 H new ATOM 372 N GLU A 24 -1.343 -5.665 -6.435 1.00 0.00 N ATOM 373 CA GLU A 24 -0.370 -4.830 -7.139 1.00 0.00 C ATOM 374 C GLU A 24 -1.060 -3.699 -7.906 1.00 0.00 C ATOM 375 O GLU A 24 -0.500 -2.614 -8.056 1.00 0.00 O ATOM 376 CB GLU A 24 0.467 -5.676 -8.104 1.00 0.00 C ATOM 377 CG GLU A 24 1.904 -5.200 -8.240 1.00 0.00 C ATOM 378 CD GLU A 24 2.731 -6.094 -9.141 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.621 -5.956 -10.378 1.00 0.00 O ATOM 380 OE2 GLU A 24 3.488 -6.934 -8.611 1.00 0.00 O ATOM 0 H GLU A 24 -1.471 -6.595 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 24 0.287 -4.387 -6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.467 -6.711 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.005 -5.666 -9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.911 -4.185 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.364 -5.160 -7.253 1.00 0.00 H new ATOM 387 N ASN A 25 -2.274 -3.958 -8.395 1.00 0.00 N ATOM 388 CA ASN A 25 -3.022 -2.951 -9.148 1.00 0.00 C ATOM 389 C ASN A 25 -3.337 -1.735 -8.280 1.00 0.00 C ATOM 390 O ASN A 25 -3.197 -0.595 -8.725 1.00 0.00 O ATOM 391 CB ASN A 25 -4.321 -3.546 -9.703 1.00 0.00 C ATOM 392 CG ASN A 25 -4.158 -4.071 -11.119 1.00 0.00 C ATOM 393 OD1 ASN A 25 -4.380 -5.253 -11.381 1.00 0.00 O ATOM 394 ND2 ASN A 25 -3.768 -3.195 -12.042 1.00 0.00 N ATOM 0 H ASN A 25 -2.757 -4.850 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.396 -2.628 -9.980 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.653 -4.356 -9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.102 -2.785 -9.688 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.643 -3.495 -13.009 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.595 -2.224 -11.782 1.00 0.00 H new ATOM 401 N VAL A 26 -3.762 -1.977 -7.041 1.00 0.00 N ATOM 402 CA VAL A 26 -4.091 -0.886 -6.125 1.00 0.00 C ATOM 403 C VAL A 26 -2.858 -0.038 -5.804 1.00 0.00 C ATOM 404 O VAL A 26 -2.978 1.155 -5.521 1.00 0.00 O ATOM 405 CB VAL A 26 -4.708 -1.409 -4.809 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.734 -2.321 -4.079 1.00 0.00 C ATOM 407 CG2 VAL A 26 -5.133 -0.250 -3.919 1.00 0.00 C ATOM 0 H VAL A 26 -3.886 -2.911 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.829 -0.266 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.595 -1.992 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.191 -2.677 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.488 -3.172 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.824 -1.768 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.565 -0.639 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.264 0.364 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.874 0.356 -4.440 1.00 0.00 H new ATOM 417 N LYS A 27 -1.674 -0.649 -5.850 1.00 0.00 N ATOM 418 CA LYS A 27 -0.435 0.072 -5.565 1.00 0.00 C ATOM 419 C LYS A 27 -0.239 1.240 -6.532 1.00 0.00 C ATOM 420 O LYS A 27 0.365 2.252 -6.176 1.00 0.00 O ATOM 421 CB LYS A 27 0.769 -0.873 -5.641 1.00 0.00 C ATOM 422 CG LYS A 27 0.757 -1.960 -4.580 1.00 0.00 C ATOM 423 CD LYS A 27 1.196 -1.421 -3.227 1.00 0.00 C ATOM 424 CE LYS A 27 0.033 -0.794 -2.474 1.00 0.00 C ATOM 425 NZ LYS A 27 0.121 -1.044 -1.010 1.00 0.00 N ATOM 0 H LYS A 27 -1.548 -1.635 -6.080 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.511 0.471 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.793 -1.339 -6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.685 -0.290 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.246 -2.379 -4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.418 -2.772 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.622 -2.229 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.982 -0.679 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.018 0.280 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.906 -1.196 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.837 -1.081 -0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.603 -1.950 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.658 -0.276 -0.558 1.00 0.00 H new ATOM 439 N ALA A 28 -0.747 1.099 -7.759 1.00 0.00 N ATOM 440 CA ALA A 28 -0.612 2.154 -8.763 1.00 0.00 C ATOM 441 C ALA A 28 -1.218 3.466 -8.270 1.00 0.00 C ATOM 442 O ALA A 28 -0.558 4.505 -8.286 1.00 0.00 O ATOM 443 CB ALA A 28 -1.265 1.734 -10.074 1.00 0.00 C ATOM 0 H ALA A 28 -1.251 0.272 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 28 0.452 2.314 -8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.154 2.532 -10.808 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.785 0.829 -10.446 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.324 1.540 -9.907 1.00 0.00 H new ATOM 449 N LYS A 29 -2.475 3.417 -7.831 1.00 0.00 N ATOM 450 CA LYS A 29 -3.151 4.614 -7.335 1.00 0.00 C ATOM 451 C LYS A 29 -2.465 5.150 -6.078 1.00 0.00 C ATOM 452 O LYS A 29 -2.401 6.361 -5.869 1.00 0.00 O ATOM 453 CB LYS A 29 -4.627 4.324 -7.043 1.00 0.00 C ATOM 454 CG LYS A 29 -4.842 3.214 -6.026 1.00 0.00 C ATOM 455 CD LYS A 29 -6.271 3.205 -5.507 1.00 0.00 C ATOM 456 CE LYS A 29 -6.627 4.516 -4.826 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.893 4.413 -4.048 1.00 0.00 N ATOM 0 H LYS A 29 -3.041 2.569 -7.809 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.091 5.375 -8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.102 5.235 -6.679 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.126 4.054 -7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.613 2.251 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.152 3.344 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.958 3.026 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.398 2.382 -4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.815 4.812 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.725 5.300 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.851 5.053 -3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.695 4.678 -4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.018 3.435 -3.717 1.00 0.00 H new ATOM 471 N ILE A 30 -1.942 4.247 -5.246 1.00 0.00 N ATOM 472 CA ILE A 30 -1.257 4.649 -4.021 1.00 0.00 C ATOM 473 C ILE A 30 0.139 5.212 -4.319 1.00 0.00 C ATOM 474 O ILE A 30 0.753 5.843 -3.459 1.00 0.00 O ATOM 475 CB ILE A 30 -1.126 3.472 -3.029 1.00 0.00 C ATOM 476 CG1 ILE A 30 -2.494 2.838 -2.769 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.501 3.944 -1.723 1.00 0.00 C ATOM 478 CD1 ILE A 30 -2.425 1.572 -1.943 1.00 0.00 C ATOM 0 H ILE A 30 -1.980 3.239 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.868 5.429 -3.566 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.474 2.718 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.130 3.561 -2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.969 2.614 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.416 3.103 -1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.490 4.353 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.129 4.715 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.430 1.177 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.816 0.832 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.979 1.794 -0.974 1.00 0.00 H new ATOM 490 N GLN A 31 0.637 4.985 -5.540 1.00 0.00 N ATOM 491 CA GLN A 31 1.958 5.478 -5.934 1.00 0.00 C ATOM 492 C GLN A 31 2.017 7.011 -5.979 1.00 0.00 C ATOM 493 O GLN A 31 3.102 7.586 -6.060 1.00 0.00 O ATOM 494 CB GLN A 31 2.358 4.908 -7.298 1.00 0.00 C ATOM 495 CG GLN A 31 3.861 4.772 -7.484 1.00 0.00 C ATOM 496 CD GLN A 31 4.236 3.613 -8.390 1.00 0.00 C ATOM 497 OE1 GLN A 31 4.867 3.805 -9.429 1.00 0.00 O ATOM 498 NE2 GLN A 31 3.849 2.399 -8.003 1.00 0.00 N ATOM 0 H GLN A 31 0.146 4.465 -6.268 1.00 0.00 H new ATOM 0 HA GLN A 31 2.662 5.139 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.895 3.929 -7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.960 5.552 -8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.257 5.698 -7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.333 4.635 -6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.327 2.283 -7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.074 1.585 -8.575 1.00 0.00 H new ATOM 507 N ASP A 32 0.858 7.676 -5.936 1.00 0.00 N ATOM 508 CA ASP A 32 0.816 9.140 -5.982 1.00 0.00 C ATOM 509 C ASP A 32 1.765 9.774 -4.960 1.00 0.00 C ATOM 510 O ASP A 32 2.276 10.871 -5.186 1.00 0.00 O ATOM 511 CB ASP A 32 -0.610 9.642 -5.738 1.00 0.00 C ATOM 512 CG ASP A 32 -0.800 11.079 -6.183 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.923 11.312 -7.404 1.00 0.00 O ATOM 514 OD2 ASP A 32 -0.825 11.973 -5.310 1.00 0.00 O ATOM 0 H ASP A 32 -0.056 7.228 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 32 1.145 9.439 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.314 9.003 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.845 9.559 -4.677 1.00 0.00 H new ATOM 519 N LYS A 33 2.002 9.094 -3.836 1.00 0.00 N ATOM 520 CA LYS A 33 2.894 9.626 -2.807 1.00 0.00 C ATOM 521 C LYS A 33 4.365 9.400 -3.170 1.00 0.00 C ATOM 522 O LYS A 33 5.244 10.100 -2.668 1.00 0.00 O ATOM 523 CB LYS A 33 2.585 8.996 -1.444 1.00 0.00 C ATOM 524 CG LYS A 33 2.917 7.515 -1.361 1.00 0.00 C ATOM 525 CD LYS A 33 2.564 6.937 0.001 1.00 0.00 C ATOM 526 CE LYS A 33 1.099 7.165 0.345 1.00 0.00 C ATOM 527 NZ LYS A 33 0.205 6.889 -0.813 1.00 0.00 N ATOM 0 H LYS A 33 1.594 8.185 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 33 2.721 10.700 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.144 9.527 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.527 9.134 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.374 6.976 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.980 7.368 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.778 5.868 0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.193 7.394 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.819 6.524 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.960 8.195 0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.659 6.416 -0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.047 7.784 -1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.696 6.273 -1.492 1.00 0.00 H new ATOM 541 N GLU A 34 4.631 8.423 -4.042 1.00 0.00 N ATOM 542 CA GLU A 34 5.997 8.119 -4.462 1.00 0.00 C ATOM 543 C GLU A 34 6.755 7.392 -3.355 1.00 0.00 C ATOM 544 O GLU A 34 7.932 7.666 -3.115 1.00 0.00 O ATOM 545 CB GLU A 34 6.742 9.398 -4.857 1.00 0.00 C ATOM 546 CG GLU A 34 5.918 10.344 -5.716 1.00 0.00 C ATOM 547 CD GLU A 34 5.324 9.660 -6.933 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.045 8.875 -7.583 1.00 0.00 O ATOM 549 OE2 GLU A 34 4.138 9.911 -7.234 1.00 0.00 O ATOM 0 H GLU A 34 3.918 7.831 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 34 5.942 7.466 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.054 9.921 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.649 9.128 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.114 10.768 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.546 11.174 -6.041 1.00 0.00 H new ATOM 556 N GLY A 35 6.079 6.463 -2.682 1.00 0.00 N ATOM 557 CA GLY A 35 6.719 5.718 -1.613 1.00 0.00 C ATOM 558 C GLY A 35 6.287 4.262 -1.561 1.00 0.00 C ATOM 559 O GLY A 35 6.251 3.665 -0.487 1.00 0.00 O ATOM 0 H GLY A 35 5.105 6.215 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.800 5.766 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.490 6.193 -0.659 1.00 0.00 H new ATOM 563 N ILE A 36 5.956 3.684 -2.718 1.00 0.00 N ATOM 564 CA ILE A 36 5.524 2.288 -2.769 1.00 0.00 C ATOM 565 C ILE A 36 6.713 1.324 -2.689 1.00 0.00 C ATOM 566 O ILE A 36 6.796 0.522 -1.757 1.00 0.00 O ATOM 567 CB ILE A 36 4.695 1.983 -4.035 1.00 0.00 C ATOM 568 CG1 ILE A 36 3.594 3.031 -4.217 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.093 0.588 -3.950 1.00 0.00 C ATOM 570 CD1 ILE A 36 2.681 3.167 -3.018 1.00 0.00 C ATOM 0 H ILE A 36 5.979 4.156 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 36 4.888 2.135 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 36 5.356 2.023 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.055 3.997 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.996 2.770 -5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.511 0.387 -4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.892 -0.148 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.444 0.524 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.926 3.927 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.192 2.213 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.266 3.459 -2.146 1.00 0.00 H new ATOM 582 N PRO A 37 7.653 1.372 -3.659 1.00 0.00 N ATOM 583 CA PRO A 37 8.821 0.489 -3.674 1.00 0.00 C ATOM 584 C PRO A 37 9.455 0.316 -2.290 1.00 0.00 C ATOM 585 O PRO A 37 9.689 -0.811 -1.850 1.00 0.00 O ATOM 586 CB PRO A 37 9.806 1.182 -4.629 1.00 0.00 C ATOM 587 CG PRO A 37 9.119 2.413 -5.136 1.00 0.00 C ATOM 588 CD PRO A 37 7.658 2.270 -4.820 1.00 0.00 C ATOM 0 HA PRO A 37 8.546 -0.518 -3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.730 1.440 -4.112 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.075 0.522 -5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.529 3.305 -4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.271 2.524 -6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.200 3.231 -4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.104 1.848 -5.658 1.00 0.00 H new ATOM 596 N PRO A 38 9.750 1.429 -1.588 1.00 0.00 N ATOM 597 CA PRO A 38 10.365 1.394 -0.259 1.00 0.00 C ATOM 598 C PRO A 38 9.859 0.244 0.614 1.00 0.00 C ATOM 599 O PRO A 38 8.672 -0.083 0.604 1.00 0.00 O ATOM 600 CB PRO A 38 9.950 2.738 0.329 1.00 0.00 C ATOM 601 CG PRO A 38 9.906 3.658 -0.844 1.00 0.00 C ATOM 602 CD PRO A 38 9.517 2.818 -2.038 1.00 0.00 C ATOM 0 HA PRO A 38 11.442 1.232 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.979 2.674 0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.664 3.082 1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.184 4.458 -0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.875 4.131 -1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.475 2.978 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.122 3.061 -2.912 1.00 0.00 H new ATOM 610 N ASP A 39 10.777 -0.365 1.369 1.00 0.00 N ATOM 611 CA ASP A 39 10.438 -1.483 2.253 1.00 0.00 C ATOM 612 C ASP A 39 9.572 -1.052 3.447 1.00 0.00 C ATOM 613 O ASP A 39 9.123 -1.901 4.218 1.00 0.00 O ATOM 614 CB ASP A 39 11.711 -2.165 2.762 1.00 0.00 C ATOM 615 CG ASP A 39 12.587 -1.227 3.567 1.00 0.00 C ATOM 616 OD1 ASP A 39 13.324 -0.428 2.952 1.00 0.00 O ATOM 617 OD2 ASP A 39 12.538 -1.291 4.814 1.00 0.00 O ATOM 0 H ASP A 39 11.762 -0.102 1.386 1.00 0.00 H new ATOM 0 HA ASP A 39 9.852 -2.185 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.439 -3.022 3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.278 -2.549 1.914 1.00 0.00 H new ATOM 622 N GLN A 40 9.344 0.253 3.617 1.00 0.00 N ATOM 623 CA GLN A 40 8.542 0.738 4.737 1.00 0.00 C ATOM 624 C GLN A 40 7.058 0.821 4.372 1.00 0.00 C ATOM 625 O GLN A 40 6.196 0.687 5.241 1.00 0.00 O ATOM 626 CB GLN A 40 9.038 2.115 5.192 1.00 0.00 C ATOM 627 CG GLN A 40 10.541 2.178 5.406 1.00 0.00 C ATOM 628 CD GLN A 40 10.956 1.687 6.781 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.036 2.468 7.731 1.00 0.00 O ATOM 630 NE2 GLN A 40 11.222 0.388 6.899 1.00 0.00 N ATOM 0 H GLN A 40 9.700 0.983 3.000 1.00 0.00 H new ATOM 0 HA GLN A 40 8.654 0.024 5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.754 2.859 4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.535 2.385 6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.038 1.577 4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.880 3.205 5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.144 -0.224 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.504 0.005 7.801 1.00 0.00 H new ATOM 639 N GLN A 41 6.755 1.036 3.091 1.00 0.00 N ATOM 640 CA GLN A 41 5.367 1.123 2.649 1.00 0.00 C ATOM 641 C GLN A 41 4.783 -0.269 2.420 1.00 0.00 C ATOM 642 O GLN A 41 4.557 -0.678 1.281 1.00 0.00 O ATOM 643 CB GLN A 41 5.260 1.952 1.366 1.00 0.00 C ATOM 644 CG GLN A 41 3.836 2.098 0.852 1.00 0.00 C ATOM 645 CD GLN A 41 3.225 3.444 1.199 1.00 0.00 C ATOM 646 OE1 GLN A 41 3.919 4.354 1.653 1.00 0.00 O ATOM 647 NE2 GLN A 41 1.916 3.582 0.986 1.00 0.00 N ATOM 0 H GLN A 41 7.446 1.152 2.350 1.00 0.00 H new ATOM 0 HA GLN A 41 4.795 1.616 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.675 2.943 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.871 1.488 0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.829 1.968 -0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.219 1.304 1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.376 2.804 0.608 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.455 4.466 1.201 1.00 0.00 H new ATOM 656 N ARG A 42 4.540 -0.997 3.509 1.00 0.00 N ATOM 657 CA ARG A 42 3.984 -2.341 3.421 1.00 0.00 C ATOM 658 C ARG A 42 2.847 -2.525 4.425 1.00 0.00 C ATOM 659 O ARG A 42 2.502 -1.598 5.159 1.00 0.00 O ATOM 660 CB ARG A 42 5.076 -3.385 3.668 1.00 0.00 C ATOM 661 CG ARG A 42 5.582 -4.048 2.396 1.00 0.00 C ATOM 662 CD ARG A 42 7.095 -3.946 2.272 1.00 0.00 C ATOM 663 NE ARG A 42 7.549 -4.101 0.889 1.00 0.00 N ATOM 664 CZ ARG A 42 8.790 -4.454 0.552 1.00 0.00 C ATOM 665 NH1 ARG A 42 9.700 -4.684 1.490 1.00 0.00 N ATOM 666 NH2 ARG A 42 9.121 -4.576 -0.727 1.00 0.00 N ATOM 0 H ARG A 42 4.720 -0.677 4.460 1.00 0.00 H new ATOM 0 HA ARG A 42 3.583 -2.478 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.914 -2.909 4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.689 -4.152 4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.286 -5.097 2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.113 -3.580 1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.425 -2.980 2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.561 -4.711 2.893 1.00 0.00 H new ATOM 0 HE ARG A 42 6.878 -3.929 0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.452 -4.591 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.648 -4.954 1.226 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.426 -4.400 -1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.070 -4.846 -0.985 1.00 0.00 H new ATOM 680 N LEU A 43 2.267 -3.724 4.455 1.00 0.00 N ATOM 681 CA LEU A 43 1.172 -4.017 5.371 1.00 0.00 C ATOM 682 C LEU A 43 1.656 -4.860 6.548 1.00 0.00 C ATOM 683 O LEU A 43 2.377 -5.840 6.363 1.00 0.00 O ATOM 684 CB LEU A 43 0.044 -4.743 4.636 1.00 0.00 C ATOM 685 CG LEU A 43 -1.368 -4.359 5.078 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.389 -4.792 4.038 1.00 0.00 C ATOM 687 CD2 LEU A 43 -1.687 -4.977 6.432 1.00 0.00 C ATOM 0 H LEU A 43 2.538 -4.504 3.857 1.00 0.00 H new ATOM 0 HA LEU A 43 0.793 -3.071 5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.140 -4.546 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.172 -5.817 4.775 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.417 -3.274 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.388 -4.510 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.171 -4.303 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.341 -5.873 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.696 -4.694 6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.621 -6.063 6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.973 -4.617 7.173 1.00 0.00 H new ATOM 699 N ILE A 44 1.256 -4.475 7.759 1.00 0.00 N ATOM 700 CA ILE A 44 1.655 -5.202 8.958 1.00 0.00 C ATOM 701 C ILE A 44 0.528 -6.113 9.448 1.00 0.00 C ATOM 702 O ILE A 44 0.021 -5.947 10.559 1.00 0.00 O ATOM 703 CB ILE A 44 2.062 -4.236 10.092 1.00 0.00 C ATOM 704 CG1 ILE A 44 2.574 -5.020 11.304 1.00 0.00 C ATOM 705 CG2 ILE A 44 0.891 -3.345 10.481 1.00 0.00 C ATOM 706 CD1 ILE A 44 3.469 -4.208 12.214 1.00 0.00 C ATOM 0 H ILE A 44 0.658 -3.667 7.933 1.00 0.00 H new ATOM 0 HA ILE A 44 2.517 -5.812 8.690 1.00 0.00 H new ATOM 0 HB ILE A 44 2.869 -3.598 9.731 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.722 -5.385 11.877 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.122 -5.895 10.955 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.197 -2.671 11.281 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.575 -2.762 9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.062 -3.963 10.824 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.794 -4.826 13.051 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.340 -3.865 11.656 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.918 -3.347 12.592 1.00 0.00 H new ATOM 718 N PHE A 45 0.138 -7.076 8.615 1.00 0.00 N ATOM 719 CA PHE A 45 -0.929 -8.005 8.973 1.00 0.00 C ATOM 720 C PHE A 45 -0.734 -9.358 8.286 1.00 0.00 C ATOM 721 O PHE A 45 -0.709 -9.440 7.058 1.00 0.00 O ATOM 722 CB PHE A 45 -2.291 -7.421 8.595 1.00 0.00 C ATOM 723 CG PHE A 45 -3.393 -7.810 9.539 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.119 -8.972 9.335 1.00 0.00 C ATOM 725 CD2 PHE A 45 -3.704 -7.013 10.629 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.133 -9.333 10.201 1.00 0.00 C ATOM 727 CE2 PHE A 45 -4.718 -7.368 11.498 1.00 0.00 C ATOM 728 CZ PHE A 45 -5.434 -8.530 11.283 1.00 0.00 C ATOM 0 H PHE A 45 0.543 -7.232 7.692 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.892 -8.159 10.052 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.216 -6.334 8.565 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.552 -7.750 7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.890 -9.603 8.489 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.147 -6.104 10.801 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.690 -10.243 10.032 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.951 -6.738 12.344 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.228 -8.810 11.960 1.00 0.00 H new ATOM 738 N ALA A 46 -0.599 -10.415 9.085 1.00 0.00 N ATOM 739 CA ALA A 46 -0.409 -11.759 8.549 1.00 0.00 C ATOM 740 C ALA A 46 0.852 -11.849 7.687 1.00 0.00 C ATOM 741 O ALA A 46 0.930 -12.685 6.786 1.00 0.00 O ATOM 742 CB ALA A 46 -1.632 -12.178 7.745 1.00 0.00 C ATOM 0 H ALA A 46 -0.618 -10.366 10.104 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.282 -12.441 9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.481 -13.182 7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.511 -12.171 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.781 -11.481 6.920 1.00 0.00 H new ATOM 748 N GLY A 47 1.839 -10.992 7.965 1.00 0.00 N ATOM 749 CA GLY A 47 3.077 -11.009 7.201 1.00 0.00 C ATOM 750 C GLY A 47 2.850 -11.104 5.701 1.00 0.00 C ATOM 751 O GLY A 47 3.571 -11.820 5.007 1.00 0.00 O ATOM 0 H GLY A 47 1.801 -10.290 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.645 -10.105 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.685 -11.854 7.525 1.00 0.00 H new ATOM 755 N LYS A 48 1.849 -10.384 5.197 1.00 0.00 N ATOM 756 CA LYS A 48 1.544 -10.402 3.771 1.00 0.00 C ATOM 757 C LYS A 48 2.037 -9.127 3.089 1.00 0.00 C ATOM 758 O LYS A 48 1.699 -8.020 3.508 1.00 0.00 O ATOM 759 CB LYS A 48 0.038 -10.562 3.552 1.00 0.00 C ATOM 760 CG LYS A 48 -0.322 -11.080 2.168 1.00 0.00 C ATOM 761 CD LYS A 48 0.319 -12.430 1.895 1.00 0.00 C ATOM 762 CE LYS A 48 1.580 -12.291 1.057 1.00 0.00 C ATOM 763 NZ LYS A 48 1.695 -13.373 0.041 1.00 0.00 N ATOM 0 H LYS A 48 1.239 -9.784 5.753 1.00 0.00 H new ATOM 0 HA LYS A 48 2.062 -11.252 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.360 -11.246 4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.448 -9.599 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.405 -11.166 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.002 -10.363 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.561 -12.916 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.393 -13.074 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.578 -11.322 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.453 -12.311 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.350 -13.075 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.057 -14.237 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.759 -13.564 -0.371 1.00 0.00 H new ATOM 777 N GLN A 49 2.835 -9.288 2.034 1.00 0.00 N ATOM 778 CA GLN A 49 3.368 -8.145 1.299 1.00 0.00 C ATOM 779 C GLN A 49 2.416 -7.726 0.179 1.00 0.00 C ATOM 780 O GLN A 49 1.777 -8.568 -0.450 1.00 0.00 O ATOM 781 CB GLN A 49 4.745 -8.475 0.718 1.00 0.00 C ATOM 782 CG GLN A 49 5.898 -8.096 1.632 1.00 0.00 C ATOM 783 CD GLN A 49 7.214 -8.718 1.199 1.00 0.00 C ATOM 784 OE1 GLN A 49 7.471 -8.879 0.006 1.00 0.00 O ATOM 785 NE2 GLN A 49 8.059 -9.071 2.165 1.00 0.00 N ATOM 0 H GLN A 49 3.125 -10.196 1.671 1.00 0.00 H new ATOM 0 HA GLN A 49 3.469 -7.314 1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.795 -9.543 0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.862 -7.957 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.001 -7.011 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.669 -8.411 2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.808 -8.921 3.142 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.957 -9.492 1.928 1.00 0.00 H new ATOM 794 N LEU A 50 2.330 -6.418 -0.067 1.00 0.00 N ATOM 795 CA LEU A 50 1.458 -5.894 -1.117 1.00 0.00 C ATOM 796 C LEU A 50 2.087 -6.033 -2.509 1.00 0.00 C ATOM 797 O LEU A 50 1.442 -5.729 -3.513 1.00 0.00 O ATOM 798 CB LEU A 50 1.121 -4.425 -0.845 1.00 0.00 C ATOM 799 CG LEU A 50 0.503 -4.145 0.528 1.00 0.00 C ATOM 800 CD1 LEU A 50 1.379 -3.191 1.326 1.00 0.00 C ATOM 801 CD2 LEU A 50 -0.902 -3.582 0.379 1.00 0.00 C ATOM 0 H LEU A 50 2.851 -5.706 0.444 1.00 0.00 H new ATOM 0 HA LEU A 50 0.544 -6.487 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.032 -3.835 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.431 -4.078 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 50 0.439 -5.087 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.923 -3.005 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.365 -3.634 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.478 -2.250 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.324 -3.390 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.863 -2.651 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.528 -4.301 -0.149 1.00 0.00 H new ATOM 813 N GLU A 51 3.341 -6.484 -2.575 1.00 0.00 N ATOM 814 CA GLU A 51 4.023 -6.643 -3.858 1.00 0.00 C ATOM 815 C GLU A 51 3.580 -7.922 -4.572 1.00 0.00 C ATOM 816 O GLU A 51 3.506 -7.954 -5.801 1.00 0.00 O ATOM 817 CB GLU A 51 5.541 -6.660 -3.660 1.00 0.00 C ATOM 818 CG GLU A 51 6.079 -5.418 -2.968 1.00 0.00 C ATOM 819 CD GLU A 51 6.700 -4.434 -3.938 1.00 0.00 C ATOM 820 OE1 GLU A 51 7.221 -4.877 -4.983 1.00 0.00 O ATOM 821 OE2 GLU A 51 6.668 -3.218 -3.652 1.00 0.00 O ATOM 0 H GLU A 51 3.900 -6.743 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 51 3.751 -5.791 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.813 -7.538 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.024 -6.763 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.269 -4.928 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.823 -5.712 -2.228 1.00 0.00 H new ATOM 828 N ASP A 52 3.290 -8.976 -3.801 1.00 0.00 N ATOM 829 CA ASP A 52 2.856 -10.245 -4.357 1.00 0.00 C ATOM 830 C ASP A 52 1.733 -10.056 -5.373 1.00 0.00 C ATOM 831 O ASP A 52 1.376 -8.936 -5.735 1.00 0.00 O ATOM 832 CB ASP A 52 2.398 -11.193 -3.239 1.00 0.00 C ATOM 833 CG ASP A 52 3.024 -12.569 -3.355 1.00 0.00 C ATOM 834 OD1 ASP A 52 3.447 -12.938 -4.471 1.00 0.00 O ATOM 835 OD2 ASP A 52 3.092 -13.278 -2.328 1.00 0.00 O ATOM 0 H ASP A 52 3.351 -8.966 -2.783 1.00 0.00 H new ATOM 0 HA ASP A 52 3.708 -10.686 -4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.655 -10.761 -2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.312 -11.287 -3.268 1.00 0.00 H new ATOM 840 N GLY A 53 1.176 -11.169 -5.812 1.00 0.00 N ATOM 841 CA GLY A 53 0.090 -11.133 -6.773 1.00 0.00 C ATOM 842 C GLY A 53 -1.195 -11.711 -6.210 1.00 0.00 C ATOM 843 O GLY A 53 -1.904 -12.445 -6.898 1.00 0.00 O ATOM 0 H GLY A 53 1.456 -12.105 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.083 -10.103 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.377 -11.691 -7.664 1.00 0.00 H new ATOM 847 N ARG A 54 -1.497 -11.382 -4.954 1.00 0.00 N ATOM 848 CA ARG A 54 -2.707 -11.882 -4.308 1.00 0.00 C ATOM 849 C ARG A 54 -3.774 -10.793 -4.225 1.00 0.00 C ATOM 850 O ARG A 54 -3.472 -9.607 -4.356 1.00 0.00 O ATOM 851 CB ARG A 54 -2.383 -12.404 -2.908 1.00 0.00 C ATOM 852 CG ARG A 54 -1.344 -13.512 -2.897 1.00 0.00 C ATOM 853 CD ARG A 54 -1.929 -14.831 -3.380 1.00 0.00 C ATOM 854 NE ARG A 54 -2.139 -14.847 -4.828 1.00 0.00 N ATOM 855 CZ ARG A 54 -2.993 -15.664 -5.444 1.00 0.00 C ATOM 856 NH1 ARG A 54 -3.710 -16.536 -4.745 1.00 0.00 N ATOM 857 NH2 ARG A 54 -3.129 -15.613 -6.763 1.00 0.00 N ATOM 0 H ARG A 54 -0.924 -10.775 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.099 -12.700 -4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.026 -11.577 -2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.299 -12.772 -2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.504 -13.231 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.952 -13.635 -1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.260 -15.646 -3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.878 -15.012 -2.875 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.601 -14.195 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.609 -16.583 -3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.362 -17.159 -5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.579 -14.948 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.783 -16.239 -7.233 1.00 0.00 H new ATOM 871 N THR A 55 -5.023 -11.201 -4.006 1.00 0.00 N ATOM 872 CA THR A 55 -6.126 -10.253 -3.905 1.00 0.00 C ATOM 873 C THR A 55 -6.470 -9.973 -2.441 1.00 0.00 C ATOM 874 O THR A 55 -6.321 -10.843 -1.584 1.00 0.00 O ATOM 875 CB THR A 55 -7.356 -10.787 -4.651 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.329 -9.767 -4.822 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.027 -11.955 -3.956 1.00 0.00 C ATOM 0 H THR A 55 -5.294 -12.178 -3.896 1.00 0.00 H new ATOM 0 HA THR A 55 -5.816 -9.316 -4.367 1.00 0.00 H new ATOM 0 HB THR A 55 -6.975 -11.132 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.103 -10.130 -5.301 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.888 -12.280 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.319 -12.779 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.357 -11.647 -2.964 1.00 0.00 H new ATOM 885 N LEU A 56 -6.926 -8.752 -2.161 1.00 0.00 N ATOM 886 CA LEU A 56 -7.284 -8.362 -0.795 1.00 0.00 C ATOM 887 C LEU A 56 -8.248 -9.370 -0.167 1.00 0.00 C ATOM 888 O LEU A 56 -8.045 -9.812 0.965 1.00 0.00 O ATOM 889 CB LEU A 56 -7.913 -6.965 -0.786 1.00 0.00 C ATOM 890 CG LEU A 56 -6.939 -5.817 -0.511 1.00 0.00 C ATOM 891 CD1 LEU A 56 -6.376 -5.272 -1.815 1.00 0.00 C ATOM 892 CD2 LEU A 56 -7.625 -4.714 0.279 1.00 0.00 C ATOM 0 H LEU A 56 -7.056 -8.018 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.369 -8.347 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.391 -6.792 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.700 -6.942 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.112 -6.202 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.685 -4.456 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.847 -6.066 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.191 -4.903 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.918 -3.906 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.471 -4.331 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.979 -5.113 1.230 1.00 0.00 H new ATOM 904 N SER A 57 -9.296 -9.732 -0.905 1.00 0.00 N ATOM 905 CA SER A 57 -10.288 -10.688 -0.410 1.00 0.00 C ATOM 906 C SER A 57 -9.632 -11.984 0.080 1.00 0.00 C ATOM 907 O SER A 57 -10.160 -12.651 0.969 1.00 0.00 O ATOM 908 CB SER A 57 -11.314 -11.009 -1.501 1.00 0.00 C ATOM 909 OG SER A 57 -12.045 -12.181 -1.185 1.00 0.00 O ATOM 0 H SER A 57 -9.481 -9.380 -1.844 1.00 0.00 H new ATOM 0 HA SER A 57 -10.793 -10.222 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.999 -10.170 -1.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.805 -11.141 -2.456 1.00 0.00 H new ATOM 0 HG SER A 57 -12.694 -12.363 -1.896 1.00 0.00 H new ATOM 915 N ASP A 58 -8.484 -12.343 -0.502 1.00 0.00 N ATOM 916 CA ASP A 58 -7.783 -13.568 -0.111 1.00 0.00 C ATOM 917 C ASP A 58 -7.534 -13.610 1.398 1.00 0.00 C ATOM 918 O ASP A 58 -7.670 -14.661 2.023 1.00 0.00 O ATOM 919 CB ASP A 58 -6.450 -13.687 -0.858 1.00 0.00 C ATOM 920 CG ASP A 58 -5.732 -14.988 -0.554 1.00 0.00 C ATOM 921 OD1 ASP A 58 -6.220 -16.052 -0.987 1.00 0.00 O ATOM 922 OD2 ASP A 58 -4.679 -14.941 0.118 1.00 0.00 O ATOM 0 H ASP A 58 -8.024 -11.808 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.421 -14.410 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.630 -13.616 -1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.808 -12.849 -0.587 1.00 0.00 H new ATOM 927 N TYR A 59 -7.169 -12.468 1.981 1.00 0.00 N ATOM 928 CA TYR A 59 -6.906 -12.401 3.416 1.00 0.00 C ATOM 929 C TYR A 59 -8.067 -11.748 4.172 1.00 0.00 C ATOM 930 O TYR A 59 -7.874 -11.196 5.256 1.00 0.00 O ATOM 931 CB TYR A 59 -5.613 -11.629 3.680 1.00 0.00 C ATOM 932 CG TYR A 59 -4.363 -12.448 3.442 1.00 0.00 C ATOM 933 CD1 TYR A 59 -3.917 -12.708 2.153 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.632 -12.960 4.506 1.00 0.00 C ATOM 935 CE1 TYR A 59 -2.778 -13.456 1.930 1.00 0.00 C ATOM 936 CE2 TYR A 59 -2.490 -13.710 4.291 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.067 -13.955 3.003 1.00 0.00 C ATOM 938 OH TYR A 59 -0.933 -14.701 2.784 1.00 0.00 O ATOM 0 H TYR A 59 -7.050 -11.584 1.486 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.799 -13.423 3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.588 -10.748 3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.615 -11.274 4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.470 -12.319 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.960 -12.770 5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.445 -13.650 0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.932 -14.102 5.129 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.551 -14.975 3.644 1.00 0.00 H new ATOM 948 N ASN A 60 -9.273 -11.817 3.605 1.00 0.00 N ATOM 949 CA ASN A 60 -10.453 -11.236 4.239 1.00 0.00 C ATOM 950 C ASN A 60 -10.273 -9.744 4.538 1.00 0.00 C ATOM 951 O ASN A 60 -10.940 -9.204 5.419 1.00 0.00 O ATOM 952 CB ASN A 60 -10.775 -11.985 5.533 1.00 0.00 C ATOM 953 CG ASN A 60 -12.229 -11.834 5.944 1.00 0.00 C ATOM 954 OD1 ASN A 60 -13.013 -12.898 5.782 1.00 0.00 O flip ATOM 955 ND2 ASN A 60 -12.646 -10.771 6.404 1.00 0.00 N flip ATOM 0 H ASN A 60 -9.456 -12.269 2.709 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.281 -11.336 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.545 -13.043 5.404 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.134 -11.615 6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.013 -9.979 6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.625 -10.682 6.677 1.00 0.00 H new ATOM 962 N ILE A 61 -9.384 -9.073 3.802 1.00 0.00 N ATOM 963 CA ILE A 61 -9.156 -7.647 4.010 1.00 0.00 C ATOM 964 C ILE A 61 -10.091 -6.814 3.131 1.00 0.00 C ATOM 965 O ILE A 61 -9.641 -6.071 2.259 1.00 0.00 O ATOM 966 CB ILE A 61 -7.690 -7.256 3.724 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.454 -5.783 4.071 1.00 0.00 C ATOM 968 CG2 ILE A 61 -7.334 -7.531 2.270 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.740 -5.580 5.389 1.00 0.00 C ATOM 0 H ILE A 61 -8.817 -9.492 3.065 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.368 -7.438 5.059 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.041 -7.866 4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.870 -5.320 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.414 -5.267 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.297 -7.248 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.463 -8.592 2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.987 -6.949 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.607 -4.513 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.333 -6.014 6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.765 -6.067 5.353 1.00 0.00 H new ATOM 981 N GLN A 62 -11.396 -6.947 3.361 1.00 0.00 N ATOM 982 CA GLN A 62 -12.387 -6.210 2.583 1.00 0.00 C ATOM 983 C GLN A 62 -12.790 -4.917 3.296 1.00 0.00 C ATOM 984 O GLN A 62 -12.186 -4.543 4.301 1.00 0.00 O ATOM 985 CB GLN A 62 -13.618 -7.089 2.331 1.00 0.00 C ATOM 986 CG GLN A 62 -14.473 -7.319 3.568 1.00 0.00 C ATOM 987 CD GLN A 62 -15.234 -8.631 3.517 1.00 0.00 C ATOM 988 OE1 GLN A 62 -14.977 -9.539 4.307 1.00 0.00 O ATOM 989 NE2 GLN A 62 -16.176 -8.742 2.582 1.00 0.00 N ATOM 0 H GLN A 62 -11.790 -7.557 4.078 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.942 -5.942 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.231 -6.626 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.291 -8.053 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.836 -7.307 4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.181 -6.497 3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.358 -7.965 1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.716 -9.604 2.501 1.00 0.00 H new ATOM 998 N LYS A 63 -13.810 -4.232 2.765 1.00 0.00 N ATOM 999 CA LYS A 63 -14.289 -2.975 3.349 1.00 0.00 C ATOM 1000 C LYS A 63 -14.314 -3.039 4.877 1.00 0.00 C ATOM 1001 O LYS A 63 -14.638 -4.074 5.457 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.690 -2.643 2.824 1.00 0.00 C ATOM 1003 CG LYS A 63 -16.209 -1.291 3.284 1.00 0.00 C ATOM 1004 CD LYS A 63 -17.590 -1.001 2.712 1.00 0.00 C ATOM 1005 CE LYS A 63 -18.555 -0.535 3.791 1.00 0.00 C ATOM 1006 NZ LYS A 63 -18.183 0.802 4.331 1.00 0.00 N ATOM 0 H LYS A 63 -14.319 -4.528 1.932 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.594 -2.190 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.675 -2.665 1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.384 -3.419 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.253 -1.268 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.515 -0.509 2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.511 -0.237 1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.983 -1.899 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.564 -0.493 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.571 -1.262 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.757 1.008 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.176 0.804 4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.356 1.529 3.608 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.964 -1.923 5.520 1.00 0.00 N ATOM 1021 CA GLU A 64 -13.940 -1.844 6.978 1.00 0.00 C ATOM 1022 C GLU A 64 -12.876 -2.774 7.578 1.00 0.00 C ATOM 1023 O GLU A 64 -12.953 -3.134 8.752 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.332 -2.156 7.554 1.00 0.00 C ATOM 1025 CG GLU A 64 -15.540 -3.602 7.995 1.00 0.00 C ATOM 1026 CD GLU A 64 -15.520 -3.758 9.503 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -16.073 -2.880 10.198 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -14.954 -4.760 9.989 1.00 0.00 O ATOM 0 H GLU A 64 -13.693 -1.060 5.050 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.670 -0.824 7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.510 -1.503 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.083 -1.910 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.493 -3.963 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.761 -4.227 7.558 1.00 0.00 H new ATOM 1035 N SER A 65 -11.879 -3.155 6.774 1.00 0.00 N ATOM 1036 CA SER A 65 -10.814 -4.033 7.251 1.00 0.00 C ATOM 1037 C SER A 65 -9.835 -3.267 8.138 1.00 0.00 C ATOM 1038 O SER A 65 -9.953 -2.053 8.299 1.00 0.00 O ATOM 1039 CB SER A 65 -10.066 -4.664 6.072 1.00 0.00 C ATOM 1040 OG SER A 65 -9.837 -3.714 5.045 1.00 0.00 O ATOM 0 H SER A 65 -11.790 -2.871 5.799 1.00 0.00 H new ATOM 0 HA SER A 65 -11.273 -4.826 7.842 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.114 -5.069 6.416 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.643 -5.500 5.676 1.00 0.00 H new ATOM 0 HG SER A 65 -10.598 -3.710 4.428 1.00 0.00 H new ATOM 1046 N THR A 66 -8.866 -3.980 8.710 1.00 0.00 N ATOM 1047 CA THR A 66 -7.871 -3.357 9.575 1.00 0.00 C ATOM 1048 C THR A 66 -6.548 -3.177 8.833 1.00 0.00 C ATOM 1049 O THR A 66 -5.664 -4.030 8.912 1.00 0.00 O ATOM 1050 CB THR A 66 -7.654 -4.201 10.831 1.00 0.00 C ATOM 1051 OG1 THR A 66 -8.893 -4.622 11.374 1.00 0.00 O ATOM 1052 CG2 THR A 66 -6.901 -3.470 11.921 1.00 0.00 C ATOM 0 H THR A 66 -8.751 -4.986 8.589 1.00 0.00 H new ATOM 0 HA THR A 66 -8.242 -2.375 9.868 1.00 0.00 H new ATOM 0 HB THR A 66 -7.056 -5.052 10.506 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.732 -5.162 12.176 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.782 -4.126 12.783 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.919 -3.175 11.550 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.459 -2.581 12.216 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.417 -2.065 8.111 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.199 -1.787 7.357 1.00 0.00 C ATOM 1062 C LEU A 67 -4.288 -0.828 8.120 1.00 0.00 C ATOM 1063 O LEU A 67 -4.557 0.372 8.192 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.544 -1.197 5.987 1.00 0.00 C ATOM 1065 CG LEU A 67 -6.353 -2.118 5.072 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -7.324 -1.310 4.225 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -5.427 -2.938 4.186 1.00 0.00 C ATOM 0 H LEU A 67 -7.136 -1.346 8.033 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.668 -2.729 7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.105 -0.274 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.617 -0.929 5.480 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.928 -2.803 5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.891 -1.982 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.010 -0.767 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.768 -0.601 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.020 -3.587 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.825 -2.269 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.771 -3.546 4.809 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.205 -1.360 8.685 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.258 -0.544 9.436 1.00 0.00 C ATOM 1081 C HIS A 68 -0.964 -0.352 8.648 1.00 0.00 C ATOM 1082 O HIS A 68 -0.294 -1.324 8.295 1.00 0.00 O ATOM 1083 CB HIS A 68 -1.953 -1.193 10.788 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.729 -0.204 11.888 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -0.740 -0.111 12.809 1.00 0.00 N flip ATOM 1086 CD2 HIS A 68 -2.583 0.851 12.141 1.00 0.00 C flip ATOM 1087 CE1 HIS A 68 -1.011 0.985 13.590 1.00 0.00 C flip ATOM 1088 NE2 HIS A 68 -2.128 1.548 13.166 1.00 0.00 N flip ATOM 0 H HIS A 68 -2.964 -2.350 8.636 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.711 0.433 9.604 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.780 -1.848 11.062 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.068 -1.821 10.689 1.00 0.00 H new ATOM 0 HD1 HIS A 68 0.058 -0.739 12.905 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.483 1.072 11.587 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.409 1.331 14.417 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.615 0.903 8.372 1.00 0.00 N ATOM 1098 CA LEU A 69 0.600 1.209 7.623 1.00 0.00 C ATOM 1099 C LEU A 69 1.752 1.549 8.567 1.00 0.00 C ATOM 1100 O LEU A 69 1.550 1.726 9.768 1.00 0.00 O ATOM 1101 CB LEU A 69 0.354 2.372 6.659 1.00 0.00 C ATOM 1102 CG LEU A 69 -0.083 1.964 5.251 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.056 1.273 4.518 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -1.305 1.061 5.313 1.00 0.00 C ATOM 0 H LEU A 69 -1.155 1.721 8.655 1.00 0.00 H new ATOM 0 HA LEU A 69 0.874 0.324 7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.409 3.022 7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.268 2.961 6.583 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.350 2.865 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.727 0.990 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.905 1.953 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.354 0.380 5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.602 0.781 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.066 0.163 5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.125 1.591 5.798 1.00 0.00 H new ATOM 1116 N VAL A 70 2.962 1.640 8.017 1.00 0.00 N ATOM 1117 CA VAL A 70 4.140 1.959 8.814 1.00 0.00 C ATOM 1118 C VAL A 70 4.572 3.408 8.598 1.00 0.00 C ATOM 1119 O VAL A 70 4.314 3.989 7.544 1.00 0.00 O ATOM 1120 CB VAL A 70 5.320 1.028 8.472 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.460 1.224 9.457 1.00 0.00 C ATOM 1122 CG2 VAL A 70 4.865 -0.424 8.453 1.00 0.00 C ATOM 0 H VAL A 70 3.150 1.497 7.025 1.00 0.00 H new ATOM 0 HA VAL A 70 3.864 1.815 9.859 1.00 0.00 H new ATOM 0 HB VAL A 70 5.684 1.285 7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.283 0.558 9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.803 2.258 9.415 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.113 0.997 10.465 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.711 -1.067 8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.473 -0.695 9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.085 -0.551 7.702 1.00 0.00 H new ATOM 1132 N LEU A 71 5.230 3.988 9.601 1.00 0.00 N ATOM 1133 CA LEU A 71 5.692 5.371 9.506 1.00 0.00 C ATOM 1134 C LEU A 71 6.945 5.467 8.638 1.00 0.00 C ATOM 1135 O LEU A 71 8.009 4.978 9.016 1.00 0.00 O ATOM 1136 CB LEU A 71 5.979 5.940 10.900 1.00 0.00 C ATOM 1137 CG LEU A 71 4.741 6.195 11.761 1.00 0.00 C ATOM 1138 CD1 LEU A 71 4.259 4.902 12.400 1.00 0.00 C ATOM 1139 CD2 LEU A 71 5.041 7.239 12.826 1.00 0.00 C ATOM 0 H LEU A 71 5.454 3.525 10.482 1.00 0.00 H new ATOM 0 HA LEU A 71 4.900 5.958 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.636 5.250 11.430 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.525 6.877 10.788 1.00 0.00 H new ATOM 0 HG LEU A 71 3.947 6.576 11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.378 5.103 13.009 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.005 4.183 11.621 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.048 4.491 13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.150 7.409 13.430 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.850 6.885 13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.338 8.172 12.347 1.00 0.00 H new