USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 509 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -170:sc= 0 (180deg=-0.124) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 71:sc= 0.744 USER MOD Single : A 8 CYS SG : rot 83:sc= 0.644 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0336 K(o=-0.034,f=-1.3) USER MOD Single : A 32 THR OG1 : rot 106:sc= 1.27 USER MOD Single : A 35 GLN : amide:sc= -0.062 X(o=-0.062,f=-0.13) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.395 USER MOD Single : A 48 SER OG : rot 76:sc= 0.312 USER MOD Single : A 50 THR OG1 : rot -105:sc= 0.00248 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.2!) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0.929 (180deg=0.928) USER MOD Single : A 64 MET CE :methyl -164:sc= -0.364 (180deg=-0.814) USER MOD Single : A 65 MET CE :methyl -168:sc=-0.00366 (180deg=-0.207) USER MOD Single : A 67 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.2) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.775 0.028 4.438 1.00 0.00 N ATOM 2 CA SER A 1 -14.436 -0.447 4.113 1.00 0.00 C ATOM 3 C SER A 1 -13.369 0.464 4.706 1.00 0.00 C ATOM 4 O SER A 1 -12.345 -0.005 5.203 1.00 0.00 O ATOM 5 CB SER A 1 -14.268 -0.547 2.609 1.00 0.00 C ATOM 6 OG SER A 1 -15.189 -1.434 2.035 1.00 0.00 O ATOM 0 H1 SER A 1 -16.474 -0.694 4.171 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.840 0.211 5.460 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.968 0.906 3.916 1.00 0.00 H new ATOM 0 HA SER A 1 -14.312 -1.437 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.390 0.441 2.164 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.255 -0.877 2.379 1.00 0.00 H new ATOM 0 HG SER A 1 -15.049 -1.469 1.066 1.00 0.00 H new ATOM 14 N GLU A 2 -13.615 1.768 4.652 1.00 0.00 N ATOM 15 CA GLU A 2 -12.643 2.752 5.113 1.00 0.00 C ATOM 16 C GLU A 2 -12.172 2.439 6.527 1.00 0.00 C ATOM 17 O GLU A 2 -10.987 2.561 6.839 1.00 0.00 O ATOM 18 CB GLU A 2 -13.237 4.160 5.057 1.00 0.00 C ATOM 19 CG GLU A 2 -12.288 5.262 5.508 1.00 0.00 C ATOM 20 CD GLU A 2 -12.928 6.617 5.389 1.00 0.00 C ATOM 21 OE1 GLU A 2 -14.053 6.686 4.954 1.00 0.00 O ATOM 22 OE2 GLU A 2 -12.337 7.572 5.835 1.00 0.00 O ATOM 0 H GLU A 2 -14.481 2.169 4.293 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.781 2.705 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.555 4.367 4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.131 4.189 5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.990 5.088 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.380 5.232 4.905 1.00 0.00 H new ATOM 29 N GLU A 3 -13.106 2.033 7.381 1.00 0.00 N ATOM 30 CA GLU A 3 -12.797 1.753 8.778 1.00 0.00 C ATOM 31 C GLU A 3 -11.850 0.568 8.906 1.00 0.00 C ATOM 32 O GLU A 3 -10.957 0.564 9.754 1.00 0.00 O ATOM 33 CB GLU A 3 -14.082 1.486 9.567 1.00 0.00 C ATOM 34 CG GLU A 3 -14.960 2.713 9.772 1.00 0.00 C ATOM 35 CD GLU A 3 -16.257 2.351 10.441 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.483 1.186 10.664 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.971 3.245 10.831 1.00 0.00 O ATOM 0 H GLU A 3 -14.084 1.891 7.129 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.302 2.631 9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.661 0.723 9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.817 1.077 10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.428 3.446 10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.163 3.182 8.809 1.00 0.00 H new ATOM 44 N GLU A 4 -12.048 -0.436 8.059 1.00 0.00 N ATOM 45 CA GLU A 4 -11.186 -1.612 8.050 1.00 0.00 C ATOM 46 C GLU A 4 -9.830 -1.295 7.430 1.00 0.00 C ATOM 47 O GLU A 4 -8.806 -1.841 7.840 1.00 0.00 O ATOM 48 CB GLU A 4 -11.854 -2.761 7.292 1.00 0.00 C ATOM 49 CG GLU A 4 -13.073 -3.347 7.989 1.00 0.00 C ATOM 50 CD GLU A 4 -13.715 -4.422 7.155 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.246 -4.663 6.068 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.600 -5.080 7.648 1.00 0.00 O ATOM 0 H GLU A 4 -12.799 -0.459 7.369 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.026 -1.916 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.150 -2.406 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.122 -3.554 7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.779 -3.759 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.797 -2.556 8.187 1.00 0.00 H new ATOM 59 N LEU A 5 -9.830 -0.409 6.440 1.00 0.00 N ATOM 60 CA LEU A 5 -8.603 -0.029 5.752 1.00 0.00 C ATOM 61 C LEU A 5 -7.763 0.913 6.604 1.00 0.00 C ATOM 62 O LEU A 5 -6.547 1.005 6.433 1.00 0.00 O ATOM 63 CB LEU A 5 -8.931 0.622 4.403 1.00 0.00 C ATOM 64 CG LEU A 5 -9.600 -0.302 3.377 1.00 0.00 C ATOM 65 CD1 LEU A 5 -9.889 0.465 2.093 1.00 0.00 C ATOM 66 CD2 LEU A 5 -8.695 -1.494 3.100 1.00 0.00 C ATOM 0 H LEU A 5 -10.668 0.060 6.096 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.020 -0.933 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.585 1.476 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.009 1.010 3.971 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.546 -0.665 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.364 -0.200 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.555 1.300 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.955 0.844 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.171 -2.150 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.742 -1.143 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.524 -2.044 4.026 1.00 0.00 H new ATOM 78 N SER A 6 -8.418 1.614 7.523 1.00 0.00 N ATOM 79 CA SER A 6 -7.718 2.411 8.523 1.00 0.00 C ATOM 80 C SER A 6 -6.900 1.527 9.457 1.00 0.00 C ATOM 81 O SER A 6 -5.780 1.874 9.832 1.00 0.00 O ATOM 82 CB SER A 6 -8.707 3.244 9.315 1.00 0.00 C ATOM 83 OG SER A 6 -9.327 4.219 8.523 1.00 0.00 O ATOM 0 H SER A 6 -9.435 1.646 7.596 1.00 0.00 H new ATOM 0 HA SER A 6 -7.030 3.078 8.004 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.466 2.592 9.747 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.191 3.726 10.145 1.00 0.00 H new ATOM 0 HG SER A 6 -9.946 3.787 7.898 1.00 0.00 H new ATOM 89 N GLU A 7 -7.467 0.385 9.830 1.00 0.00 N ATOM 90 CA GLU A 7 -6.761 -0.588 10.654 1.00 0.00 C ATOM 91 C GLU A 7 -5.597 -1.212 9.894 1.00 0.00 C ATOM 92 O GLU A 7 -4.493 -1.338 10.424 1.00 0.00 O ATOM 93 CB GLU A 7 -7.719 -1.680 11.135 1.00 0.00 C ATOM 94 CG GLU A 7 -8.751 -1.208 12.150 1.00 0.00 C ATOM 95 CD GLU A 7 -9.747 -2.291 12.460 1.00 0.00 C ATOM 96 OE1 GLU A 7 -9.672 -3.332 11.853 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.512 -2.120 13.380 1.00 0.00 O ATOM 0 H GLU A 7 -8.415 0.110 9.574 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.361 -0.062 11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.239 -2.096 10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.137 -2.489 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.248 -0.900 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.272 -0.332 11.762 1.00 0.00 H new ATOM 104 N CYS A 8 -5.850 -1.599 8.648 1.00 0.00 N ATOM 105 CA CYS A 8 -4.816 -2.181 7.802 1.00 0.00 C ATOM 106 C CYS A 8 -3.707 -1.176 7.516 1.00 0.00 C ATOM 107 O CYS A 8 -2.531 -1.533 7.461 1.00 0.00 O ATOM 108 CB CYS A 8 -5.579 -2.519 6.520 1.00 0.00 C ATOM 109 SG CYS A 8 -6.757 -3.881 6.687 1.00 0.00 S ATOM 0 H CYS A 8 -6.764 -1.520 8.202 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.324 -3.040 8.258 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.115 -1.631 6.186 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.860 -2.770 5.740 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.870 -3.433 7.187 1.00 0.00 H new ATOM 115 N PHE A 9 -4.090 0.084 7.338 1.00 0.00 N ATOM 116 CA PHE A 9 -3.123 1.157 7.137 1.00 0.00 C ATOM 117 C PHE A 9 -2.168 1.266 8.318 1.00 0.00 C ATOM 118 O PHE A 9 -0.955 1.376 8.140 1.00 0.00 O ATOM 119 CB PHE A 9 -3.842 2.490 6.918 1.00 0.00 C ATOM 120 CG PHE A 9 -2.914 3.653 6.719 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.283 3.856 5.501 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.668 4.548 7.750 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.428 4.926 5.317 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.816 5.620 7.569 1.00 0.00 C ATOM 125 CZ PHE A 9 -1.195 5.809 6.351 1.00 0.00 C ATOM 0 H PHE A 9 -5.064 0.387 7.329 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.539 0.918 6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.492 2.403 6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.483 2.692 7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.462 3.170 4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.149 4.405 8.706 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.942 5.071 4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.636 6.310 8.380 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.528 6.646 6.208 1.00 0.00 H new ATOM 135 N ARG A 10 -2.721 1.234 9.526 1.00 0.00 N ATOM 136 CA ARG A 10 -1.916 1.299 10.739 1.00 0.00 C ATOM 137 C ARG A 10 -1.020 0.074 10.874 1.00 0.00 C ATOM 138 O ARG A 10 0.103 0.166 11.368 1.00 0.00 O ATOM 139 CB ARG A 10 -2.768 1.505 11.983 1.00 0.00 C ATOM 140 CG ARG A 10 -3.389 2.887 12.112 1.00 0.00 C ATOM 141 CD ARG A 10 -4.270 3.055 13.295 1.00 0.00 C ATOM 142 NE ARG A 10 -4.850 4.381 13.433 1.00 0.00 N ATOM 143 CZ ARG A 10 -5.714 4.742 14.401 1.00 0.00 C ATOM 144 NH1 ARG A 10 -6.131 3.873 15.295 1.00 0.00 N ATOM 145 NH2 ARG A 10 -6.151 5.989 14.414 1.00 0.00 N ATOM 0 H ARG A 10 -3.725 1.163 9.690 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.273 2.174 10.649 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.566 0.762 11.986 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.153 1.316 12.863 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.591 3.628 12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.966 3.098 11.212 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.076 2.324 13.238 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.697 2.828 14.194 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.584 5.088 12.748 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.800 2.909 15.262 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.786 4.163 16.022 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.833 6.648 13.703 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.806 6.292 15.135 1.00 0.00 H new ATOM 159 N ILE A 11 -1.525 -1.072 10.429 1.00 0.00 N ATOM 160 CA ILE A 11 -0.755 -2.311 10.459 1.00 0.00 C ATOM 161 C ILE A 11 0.401 -2.263 9.469 1.00 0.00 C ATOM 162 O ILE A 11 1.526 -2.646 9.795 1.00 0.00 O ATOM 163 CB ILE A 11 -1.638 -3.532 10.146 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.637 -3.774 11.280 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.778 -4.765 9.918 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.736 -4.751 10.928 1.00 0.00 C ATOM 0 H ILE A 11 -2.464 -1.169 10.043 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.359 -2.412 11.470 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.198 -3.330 9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.099 -4.146 12.152 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.087 -2.823 11.564 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.418 -5.619 9.698 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.106 -4.589 9.078 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.193 -4.971 10.814 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.404 -4.870 11.781 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.300 -4.372 10.076 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.297 -5.716 10.673 1.00 0.00 H new ATOM 178 N PHE A 12 0.120 -1.793 8.259 1.00 0.00 N ATOM 179 CA PHE A 12 1.098 -1.822 7.179 1.00 0.00 C ATOM 180 C PHE A 12 2.212 -0.810 7.417 1.00 0.00 C ATOM 181 O PHE A 12 3.373 -1.062 7.093 1.00 0.00 O ATOM 182 CB PHE A 12 0.419 -1.550 5.835 1.00 0.00 C ATOM 183 CG PHE A 12 -0.566 -2.608 5.430 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.469 -3.897 5.933 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.593 -2.319 4.544 1.00 0.00 C ATOM 186 CE1 PHE A 12 -1.376 -4.872 5.561 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.501 -3.291 4.171 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.392 -4.568 4.680 1.00 0.00 C ATOM 0 H PHE A 12 -0.779 -1.387 8.001 1.00 0.00 H new ATOM 0 HA PHE A 12 1.541 -2.818 7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.094 -0.589 5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.184 -1.464 5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.324 -4.142 6.623 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.684 -1.321 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.289 -5.872 5.960 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.296 -3.051 3.481 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.101 -5.329 4.389 1.00 0.00 H new ATOM 198 N ASP A 13 1.851 0.336 7.985 1.00 0.00 N ATOM 199 CA ASP A 13 2.832 1.351 8.350 1.00 0.00 C ATOM 200 C ASP A 13 3.431 1.072 9.722 1.00 0.00 C ATOM 201 O ASP A 13 3.097 1.737 10.702 1.00 0.00 O ATOM 202 CB ASP A 13 2.197 2.744 8.327 1.00 0.00 C ATOM 203 CG ASP A 13 3.180 3.889 8.530 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.346 3.620 8.696 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.788 5.018 8.362 1.00 0.00 O ATOM 0 H ASP A 13 0.886 0.585 8.202 1.00 0.00 H new ATOM 0 HA ASP A 13 3.636 1.316 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.689 2.882 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.434 2.795 9.104 1.00 0.00 H new ATOM 210 N LYS A 14 4.319 0.085 9.785 1.00 0.00 N ATOM 211 CA LYS A 14 4.890 -0.352 11.054 1.00 0.00 C ATOM 212 C LYS A 14 5.834 0.699 11.624 1.00 0.00 C ATOM 213 O LYS A 14 5.982 0.819 12.840 1.00 0.00 O ATOM 214 CB LYS A 14 5.626 -1.681 10.880 1.00 0.00 C ATOM 215 CG LYS A 14 4.717 -2.874 10.611 1.00 0.00 C ATOM 216 CD LYS A 14 5.519 -4.156 10.454 1.00 0.00 C ATOM 217 CE LYS A 14 4.612 -5.348 10.184 1.00 0.00 C ATOM 218 NZ LYS A 14 5.385 -6.607 10.003 1.00 0.00 N ATOM 0 H LYS A 14 4.659 -0.428 8.971 1.00 0.00 H new ATOM 0 HA LYS A 14 4.070 -0.491 11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.333 -1.586 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.209 -1.880 11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.007 -2.985 11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.135 -2.694 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.230 -4.045 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.100 -4.336 11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.914 -5.467 11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.017 -5.156 9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.730 -7.394 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.033 -6.503 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.933 -6.805 10.865 1.00 0.00 H new ATOM 232 N ASP A 15 6.470 1.458 10.739 1.00 0.00 N ATOM 233 CA ASP A 15 7.391 2.509 11.152 1.00 0.00 C ATOM 234 C ASP A 15 6.646 3.680 11.779 1.00 0.00 C ATOM 235 O ASP A 15 7.211 4.437 12.569 1.00 0.00 O ATOM 236 CB ASP A 15 8.224 2.992 9.962 1.00 0.00 C ATOM 237 CG ASP A 15 9.292 2.010 9.501 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.567 1.080 10.222 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.711 2.105 8.372 1.00 0.00 O ATOM 0 H ASP A 15 6.364 1.364 9.729 1.00 0.00 H new ATOM 0 HA ASP A 15 8.059 2.088 11.904 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.555 3.201 9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.704 3.933 10.229 1.00 0.00 H new ATOM 244 N GLY A 16 5.374 3.825 11.422 1.00 0.00 N ATOM 245 CA GLY A 16 4.561 4.928 11.918 1.00 0.00 C ATOM 246 C GLY A 16 4.927 6.236 11.229 1.00 0.00 C ATOM 247 O GLY A 16 4.913 7.300 11.848 1.00 0.00 O ATOM 0 H GLY A 16 4.884 3.191 10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.506 4.709 11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.699 5.030 12.994 1.00 0.00 H new ATOM 251 N ASN A 17 5.254 6.150 9.944 1.00 0.00 N ATOM 252 CA ASN A 17 5.708 7.312 9.190 1.00 0.00 C ATOM 253 C ASN A 17 4.542 8.218 8.817 1.00 0.00 C ATOM 254 O ASN A 17 4.727 9.405 8.548 1.00 0.00 O ATOM 255 CB ASN A 17 6.472 6.901 7.944 1.00 0.00 C ATOM 256 CG ASN A 17 7.830 6.321 8.231 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.418 6.561 9.291 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.363 5.626 7.258 1.00 0.00 N ATOM 0 H ASN A 17 5.213 5.286 9.403 1.00 0.00 H new ATOM 0 HA ASN A 17 6.385 7.870 9.837 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.883 6.168 7.393 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.587 7.770 7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.308 5.254 7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.834 5.457 6.403 1.00 0.00 H new ATOM 265 N GLY A 18 3.340 7.651 8.803 1.00 0.00 N ATOM 266 CA GLY A 18 2.147 8.394 8.415 1.00 0.00 C ATOM 267 C GLY A 18 1.773 8.117 6.965 1.00 0.00 C ATOM 268 O GLY A 18 1.029 8.880 6.348 1.00 0.00 O ATOM 0 H GLY A 18 3.167 6.678 9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.317 8.120 9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.320 9.462 8.551 1.00 0.00 H new ATOM 272 N PHE A 19 2.292 7.020 6.425 1.00 0.00 N ATOM 273 CA PHE A 19 2.085 6.685 5.020 1.00 0.00 C ATOM 274 C PHE A 19 2.702 5.335 4.679 1.00 0.00 C ATOM 275 O PHE A 19 3.492 4.791 5.449 1.00 0.00 O ATOM 276 CB PHE A 19 2.670 7.775 4.120 1.00 0.00 C ATOM 277 CG PHE A 19 4.138 8.012 4.332 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.081 7.173 3.759 1.00 0.00 C ATOM 279 CD2 PHE A 19 4.578 9.077 5.105 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.432 7.391 3.954 1.00 0.00 C ATOM 281 CE2 PHE A 19 5.927 9.297 5.301 1.00 0.00 C ATOM 282 CZ PHE A 19 6.855 8.453 4.725 1.00 0.00 C ATOM 0 H PHE A 19 2.860 6.347 6.939 1.00 0.00 H new ATOM 0 HA PHE A 19 1.011 6.621 4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.502 7.502 3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.132 8.706 4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.757 6.340 3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.857 9.741 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.156 6.729 3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.256 10.130 5.905 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.910 8.624 4.878 1.00 0.00 H new ATOM 292 N ILE A 20 2.336 4.800 3.519 1.00 0.00 N ATOM 293 CA ILE A 20 2.890 3.534 3.051 1.00 0.00 C ATOM 294 C ILE A 20 4.136 3.759 2.203 1.00 0.00 C ATOM 295 O ILE A 20 4.074 4.390 1.147 1.00 0.00 O ATOM 296 CB ILE A 20 1.860 2.735 2.233 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.605 2.467 3.068 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.467 1.429 1.743 1.00 0.00 C ATOM 299 CD1 ILE A 20 0.877 1.716 4.352 1.00 0.00 C ATOM 0 H ILE A 20 1.658 5.223 2.885 1.00 0.00 H new ATOM 0 HA ILE A 20 3.158 2.960 3.938 1.00 0.00 H new ATOM 0 HB ILE A 20 1.574 3.327 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.129 3.418 3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.105 1.898 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.725 0.877 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.330 1.643 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.781 0.830 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.059 1.563 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.324 0.749 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.562 2.293 4.973 1.00 0.00 H new ATOM 311 N ASP A 21 5.265 3.239 2.670 1.00 0.00 N ATOM 312 CA ASP A 21 6.516 3.334 1.928 1.00 0.00 C ATOM 313 C ASP A 21 6.584 2.286 0.825 1.00 0.00 C ATOM 314 O ASP A 21 5.749 1.384 0.760 1.00 0.00 O ATOM 315 CB ASP A 21 7.712 3.181 2.872 1.00 0.00 C ATOM 316 CG ASP A 21 8.988 3.854 2.385 1.00 0.00 C ATOM 317 OD1 ASP A 21 8.980 4.381 1.297 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.905 3.976 3.161 1.00 0.00 O ATOM 0 H ASP A 21 5.340 2.747 3.560 1.00 0.00 H new ATOM 0 HA ASP A 21 6.554 4.320 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.446 3.594 3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.909 2.119 3.020 1.00 0.00 H new ATOM 323 N ARG A 22 7.583 2.411 -0.042 1.00 0.00 N ATOM 324 CA ARG A 22 7.760 1.476 -1.147 1.00 0.00 C ATOM 325 C ARG A 22 8.074 0.076 -0.639 1.00 0.00 C ATOM 326 O ARG A 22 7.517 -0.910 -1.123 1.00 0.00 O ATOM 327 CB ARG A 22 8.807 1.956 -2.142 1.00 0.00 C ATOM 328 CG ARG A 22 8.922 1.115 -3.403 1.00 0.00 C ATOM 329 CD ARG A 22 9.958 1.584 -4.360 1.00 0.00 C ATOM 330 NE ARG A 22 11.324 1.440 -3.887 1.00 0.00 N ATOM 331 CZ ARG A 22 12.045 0.304 -3.965 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.524 -0.796 -4.460 1.00 0.00 N ATOM 333 NH2 ARG A 22 13.285 0.318 -3.507 1.00 0.00 N ATOM 0 H ARG A 22 8.283 3.152 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 22 6.812 1.431 -1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.574 2.982 -2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.777 1.976 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.145 0.086 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.956 1.105 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.850 1.031 -5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.775 2.634 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 22 11.769 2.256 -3.466 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.560 -0.799 -4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.084 -1.647 -4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.672 1.173 -3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.855 -0.527 -3.553 1.00 0.00 H new ATOM 347 N GLU A 23 8.968 -0.007 0.341 1.00 0.00 N ATOM 348 CA GLU A 23 9.324 -1.284 0.946 1.00 0.00 C ATOM 349 C GLU A 23 8.166 -1.853 1.756 1.00 0.00 C ATOM 350 O GLU A 23 7.940 -3.063 1.767 1.00 0.00 O ATOM 351 CB GLU A 23 10.561 -1.128 1.835 1.00 0.00 C ATOM 352 CG GLU A 23 11.853 -0.867 1.075 1.00 0.00 C ATOM 353 CD GLU A 23 12.999 -0.614 2.016 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.772 -0.580 3.202 1.00 0.00 O ATOM 355 OE2 GLU A 23 14.116 -0.567 1.559 1.00 0.00 O ATOM 0 H GLU A 23 9.459 0.796 0.733 1.00 0.00 H new ATOM 0 HA GLU A 23 9.551 -1.983 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.391 -0.307 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.681 -2.032 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.083 -1.723 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.723 -0.008 0.417 1.00 0.00 H new ATOM 362 N GLU A 24 7.435 -0.973 2.432 1.00 0.00 N ATOM 363 CA GLU A 24 6.232 -1.371 3.152 1.00 0.00 C ATOM 364 C GLU A 24 5.148 -1.848 2.193 1.00 0.00 C ATOM 365 O GLU A 24 4.360 -2.735 2.523 1.00 0.00 O ATOM 366 CB GLU A 24 5.709 -0.211 4.002 1.00 0.00 C ATOM 367 CG GLU A 24 6.589 0.144 5.192 1.00 0.00 C ATOM 368 CD GLU A 24 6.132 1.416 5.849 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.250 2.052 5.323 1.00 0.00 O ATOM 370 OE2 GLU A 24 6.584 1.696 6.935 1.00 0.00 O ATOM 0 H GLU A 24 7.655 0.021 2.496 1.00 0.00 H new ATOM 0 HA GLU A 24 6.495 -2.201 3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.604 0.669 3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.713 -0.463 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.569 -0.670 5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.622 0.253 4.863 1.00 0.00 H new ATOM 377 N PHE A 25 5.113 -1.253 1.005 1.00 0.00 N ATOM 378 CA PHE A 25 4.170 -1.662 -0.028 1.00 0.00 C ATOM 379 C PHE A 25 4.500 -3.053 -0.557 1.00 0.00 C ATOM 380 O PHE A 25 3.604 -3.837 -0.868 1.00 0.00 O ATOM 381 CB PHE A 25 4.163 -0.651 -1.176 1.00 0.00 C ATOM 382 CG PHE A 25 3.081 -0.891 -2.190 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.752 -0.643 -1.879 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.389 -1.367 -3.455 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.755 -0.864 -2.810 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.394 -1.588 -4.389 1.00 0.00 C ATOM 387 CZ PHE A 25 1.076 -1.335 -4.065 1.00 0.00 C ATOM 0 H PHE A 25 5.728 -0.485 0.734 1.00 0.00 H new ATOM 0 HA PHE A 25 3.177 -1.696 0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.046 0.351 -0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.130 -0.678 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.494 -0.273 -0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.418 -1.568 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.276 -0.668 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.648 -1.958 -5.371 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.298 -1.506 -4.794 1.00 0.00 H new ATOM 397 N GLY A 26 5.790 -3.351 -0.656 1.00 0.00 N ATOM 398 CA GLY A 26 6.242 -4.696 -0.995 1.00 0.00 C ATOM 399 C GLY A 26 5.722 -5.720 0.006 1.00 0.00 C ATOM 400 O GLY A 26 5.334 -6.826 -0.369 1.00 0.00 O ATOM 0 H GLY A 26 6.543 -2.679 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.899 -4.956 -1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.332 -4.723 -1.014 1.00 0.00 H new ATOM 404 N ASP A 27 5.716 -5.344 1.280 1.00 0.00 N ATOM 405 CA ASP A 27 5.166 -6.197 2.327 1.00 0.00 C ATOM 406 C ASP A 27 3.665 -6.383 2.154 1.00 0.00 C ATOM 407 O ASP A 27 3.133 -7.468 2.389 1.00 0.00 O ATOM 408 CB ASP A 27 5.468 -5.611 3.709 1.00 0.00 C ATOM 409 CG ASP A 27 6.923 -5.737 4.143 1.00 0.00 C ATOM 410 OD1 ASP A 27 7.649 -6.467 3.512 1.00 0.00 O ATOM 411 OD2 ASP A 27 7.334 -4.988 4.997 1.00 0.00 O ATOM 0 H ASP A 27 6.086 -4.454 1.613 1.00 0.00 H new ATOM 0 HA ASP A 27 5.642 -7.174 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.191 -4.557 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.837 -6.108 4.446 1.00 0.00 H new ATOM 416 N ILE A 28 2.986 -5.317 1.743 1.00 0.00 N ATOM 417 CA ILE A 28 1.558 -5.384 1.453 1.00 0.00 C ATOM 418 C ILE A 28 1.269 -6.379 0.336 1.00 0.00 C ATOM 419 O ILE A 28 0.300 -7.135 0.400 1.00 0.00 O ATOM 420 CB ILE A 28 0.996 -4.006 1.059 1.00 0.00 C ATOM 421 CG1 ILE A 28 1.020 -3.057 2.260 1.00 0.00 C ATOM 422 CG2 ILE A 28 -0.416 -4.144 0.512 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.691 -1.623 1.912 1.00 0.00 C ATOM 0 H ILE A 28 3.402 -4.396 1.603 1.00 0.00 H new ATOM 0 HA ILE A 28 1.067 -5.717 2.367 1.00 0.00 H new ATOM 0 HB ILE A 28 1.626 -3.585 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.309 -3.412 3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.008 -3.092 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.798 -3.160 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.404 -4.786 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.060 -4.584 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.728 -1.012 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.416 -1.248 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.309 -1.573 1.481 1.00 0.00 H new ATOM 435 N ILE A 29 2.116 -6.372 -0.688 1.00 0.00 N ATOM 436 CA ILE A 29 1.982 -7.308 -1.798 1.00 0.00 C ATOM 437 C ILE A 29 2.339 -8.725 -1.370 1.00 0.00 C ATOM 438 O ILE A 29 1.809 -9.698 -1.907 1.00 0.00 O ATOM 439 CB ILE A 29 2.870 -6.903 -2.989 1.00 0.00 C ATOM 440 CG1 ILE A 29 2.091 -6.004 -3.955 1.00 0.00 C ATOM 441 CG2 ILE A 29 3.392 -8.137 -3.709 1.00 0.00 C ATOM 442 CD1 ILE A 29 1.532 -4.756 -3.311 1.00 0.00 C ATOM 0 H ILE A 29 2.903 -5.728 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 29 0.938 -7.278 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 29 3.724 -6.342 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.747 -5.715 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.271 -6.577 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.018 -7.831 -4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.981 -8.740 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.552 -8.725 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.994 -4.171 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.850 -5.035 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.348 -4.160 -2.903 1.00 0.00 H new ATOM 454 N ARG A 30 3.241 -8.835 -0.400 1.00 0.00 N ATOM 455 CA ARG A 30 3.584 -10.126 0.183 1.00 0.00 C ATOM 456 C ARG A 30 2.400 -10.726 0.931 1.00 0.00 C ATOM 457 O ARG A 30 2.214 -11.943 0.944 1.00 0.00 O ATOM 458 CB ARG A 30 4.819 -10.046 1.069 1.00 0.00 C ATOM 459 CG ARG A 30 5.276 -11.374 1.651 1.00 0.00 C ATOM 460 CD ARG A 30 6.559 -11.306 2.397 1.00 0.00 C ATOM 461 NE ARG A 30 6.979 -12.566 2.989 1.00 0.00 N ATOM 462 CZ ARG A 30 8.064 -12.719 3.773 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.862 -11.706 4.031 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.321 -13.922 4.256 1.00 0.00 N ATOM 0 H ARG A 30 3.748 -8.045 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 30 3.831 -10.794 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.637 -9.619 0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.616 -9.357 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.501 -11.751 2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.378 -12.096 0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.340 -10.958 1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.466 -10.561 3.187 1.00 0.00 H new ATOM 0 HE ARG A 30 6.412 -13.392 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.664 -10.787 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.679 -11.839 4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.705 -14.704 4.032 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.135 -14.069 4.852 1.00 0.00 H new ATOM 478 N LEU A 31 1.601 -9.864 1.551 1.00 0.00 N ATOM 479 CA LEU A 31 0.484 -10.312 2.376 1.00 0.00 C ATOM 480 C LEU A 31 -0.756 -10.571 1.530 1.00 0.00 C ATOM 481 O LEU A 31 -1.420 -11.597 1.682 1.00 0.00 O ATOM 482 CB LEU A 31 0.180 -9.275 3.464 1.00 0.00 C ATOM 483 CG LEU A 31 1.289 -9.077 4.505 1.00 0.00 C ATOM 484 CD1 LEU A 31 0.953 -7.897 5.407 1.00 0.00 C ATOM 485 CD2 LEU A 31 1.454 -10.350 5.321 1.00 0.00 C ATOM 0 H LEU A 31 1.706 -8.851 1.498 1.00 0.00 H new ATOM 0 HA LEU A 31 0.769 -11.251 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.021 -8.317 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.733 -9.571 3.981 1.00 0.00 H new ATOM 0 HG LEU A 31 2.230 -8.862 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.746 -7.764 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.862 -6.993 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.010 -8.088 5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.242 -10.209 6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.517 -10.581 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.721 -11.174 4.659 1.00 0.00 H new ATOM 497 N THR A 32 -1.062 -9.637 0.636 1.00 0.00 N ATOM 498 CA THR A 32 -2.345 -9.631 -0.057 1.00 0.00 C ATOM 499 C THR A 32 -2.158 -9.757 -1.563 1.00 0.00 C ATOM 500 O THR A 32 -3.102 -10.065 -2.292 1.00 0.00 O ATOM 501 CB THR A 32 -3.146 -8.351 0.246 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.442 -7.212 -0.267 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.343 -8.186 1.744 1.00 0.00 C ATOM 0 H THR A 32 -0.438 -8.874 0.374 1.00 0.00 H new ATOM 0 HA THR A 32 -2.903 -10.492 0.310 1.00 0.00 H new ATOM 0 HB THR A 32 -4.123 -8.431 -0.232 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.897 -6.880 -1.069 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.911 -7.276 1.938 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.888 -9.045 2.136 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.371 -8.119 2.234 1.00 0.00 H new ATOM 511 N GLY A 33 -0.935 -9.517 -2.025 1.00 0.00 N ATOM 512 CA GLY A 33 -0.641 -9.519 -3.452 1.00 0.00 C ATOM 513 C GLY A 33 -0.117 -10.875 -3.906 1.00 0.00 C ATOM 514 O GLY A 33 0.959 -10.970 -4.495 1.00 0.00 O ATOM 0 H GLY A 33 -0.131 -9.318 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.542 -9.269 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.097 -8.748 -3.675 1.00 0.00 H new ATOM 518 N GLU A 34 -0.885 -11.923 -3.627 1.00 0.00 N ATOM 519 CA GLU A 34 -0.471 -13.283 -3.951 1.00 0.00 C ATOM 520 C GLU A 34 -0.361 -13.482 -5.457 1.00 0.00 C ATOM 521 O GLU A 34 0.442 -14.286 -5.931 1.00 0.00 O ATOM 522 CB GLU A 34 -1.451 -14.298 -3.358 1.00 0.00 C ATOM 523 CG GLU A 34 -1.404 -14.403 -1.840 1.00 0.00 C ATOM 524 CD GLU A 34 -2.450 -15.351 -1.325 1.00 0.00 C ATOM 525 OE1 GLU A 34 -3.216 -15.848 -2.117 1.00 0.00 O ATOM 526 OE2 GLU A 34 -2.415 -15.669 -0.160 1.00 0.00 O ATOM 0 H GLU A 34 -1.798 -11.856 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 34 0.514 -13.444 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.463 -14.028 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.242 -15.279 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.417 -14.743 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.556 -13.417 -1.400 1.00 0.00 H new ATOM 533 N GLN A 35 -1.173 -12.744 -6.207 1.00 0.00 N ATOM 534 CA GLN A 35 -1.178 -12.847 -7.661 1.00 0.00 C ATOM 535 C GLN A 35 -0.248 -11.819 -8.290 1.00 0.00 C ATOM 536 O GLN A 35 -0.082 -11.782 -9.510 1.00 0.00 O ATOM 537 CB GLN A 35 -2.598 -12.662 -8.206 1.00 0.00 C ATOM 538 CG GLN A 35 -3.600 -13.683 -7.694 1.00 0.00 C ATOM 539 CD GLN A 35 -3.213 -15.104 -8.056 1.00 0.00 C ATOM 540 OE1 GLN A 35 -2.866 -15.395 -9.205 1.00 0.00 O ATOM 541 NE2 GLN A 35 -3.276 -16.001 -7.079 1.00 0.00 N ATOM 0 H GLN A 35 -1.837 -12.067 -5.831 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.819 -13.842 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.948 -11.663 -7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.567 -12.714 -9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.682 -13.596 -6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.584 -13.461 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.568 -15.717 -6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.032 -16.974 -7.264 1.00 0.00 H new ATOM 550 N LEU A 36 0.359 -10.986 -7.452 1.00 0.00 N ATOM 551 CA LEU A 36 1.208 -9.902 -7.930 1.00 0.00 C ATOM 552 C LEU A 36 2.681 -10.282 -7.857 1.00 0.00 C ATOM 553 O LEU A 36 3.092 -11.045 -6.984 1.00 0.00 O ATOM 554 CB LEU A 36 0.945 -8.626 -7.119 1.00 0.00 C ATOM 555 CG LEU A 36 -0.494 -8.098 -7.182 1.00 0.00 C ATOM 556 CD1 LEU A 36 -0.651 -6.903 -6.250 1.00 0.00 C ATOM 557 CD2 LEU A 36 -0.832 -7.712 -8.615 1.00 0.00 C ATOM 0 H LEU A 36 0.278 -11.041 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 36 0.961 -9.715 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.199 -8.818 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.618 -7.845 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.183 -8.878 -6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.675 -6.534 -6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.425 -7.207 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.035 -6.112 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.854 -7.337 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.146 -6.936 -8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.738 -8.586 -9.259 1.00 0.00 H new ATOM 569 N THR A 37 3.472 -9.746 -8.781 1.00 0.00 N ATOM 570 CA THR A 37 4.899 -10.040 -8.831 1.00 0.00 C ATOM 571 C THR A 37 5.699 -9.030 -8.018 1.00 0.00 C ATOM 572 O THR A 37 5.147 -8.060 -7.500 1.00 0.00 O ATOM 573 CB THR A 37 5.423 -10.047 -10.280 1.00 0.00 C ATOM 574 OG1 THR A 37 5.372 -8.719 -10.816 1.00 0.00 O ATOM 575 CG2 THR A 37 4.582 -10.973 -11.146 1.00 0.00 C ATOM 0 H THR A 37 3.148 -9.105 -9.506 1.00 0.00 H new ATOM 0 HA THR A 37 5.030 -11.033 -8.401 1.00 0.00 H new ATOM 0 HB THR A 37 6.453 -10.405 -10.277 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.707 -8.725 -11.737 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.966 -10.966 -12.166 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.629 -11.986 -10.748 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.547 -10.631 -11.146 1.00 0.00 H new ATOM 583 N ASP A 38 7.003 -9.264 -7.912 1.00 0.00 N ATOM 584 CA ASP A 38 7.900 -8.316 -7.263 1.00 0.00 C ATOM 585 C ASP A 38 8.028 -7.034 -8.075 1.00 0.00 C ATOM 586 O ASP A 38 8.279 -5.962 -7.526 1.00 0.00 O ATOM 587 CB ASP A 38 9.280 -8.943 -7.051 1.00 0.00 C ATOM 588 CG ASP A 38 9.331 -9.993 -5.949 1.00 0.00 C ATOM 589 OD1 ASP A 38 8.392 -10.080 -5.195 1.00 0.00 O ATOM 590 OD2 ASP A 38 10.230 -10.801 -5.967 1.00 0.00 O ATOM 0 H ASP A 38 7.462 -10.103 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 38 7.472 -8.064 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.606 -9.399 -7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.993 -8.152 -6.816 1.00 0.00 H new ATOM 595 N GLU A 39 7.855 -7.151 -9.388 1.00 0.00 N ATOM 596 CA GLU A 39 7.869 -5.990 -10.269 1.00 0.00 C ATOM 597 C GLU A 39 6.580 -5.188 -10.146 1.00 0.00 C ATOM 598 O GLU A 39 6.588 -3.962 -10.250 1.00 0.00 O ATOM 599 CB GLU A 39 8.083 -6.422 -11.722 1.00 0.00 C ATOM 600 CG GLU A 39 9.464 -6.992 -12.010 1.00 0.00 C ATOM 601 CD GLU A 39 9.567 -7.482 -13.428 1.00 0.00 C ATOM 602 OE1 GLU A 39 8.588 -7.417 -14.131 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.651 -7.818 -13.843 1.00 0.00 O ATOM 0 H GLU A 39 7.703 -8.040 -9.865 1.00 0.00 H new ATOM 0 HA GLU A 39 8.698 -5.351 -9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.333 -7.170 -11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.914 -5.564 -12.372 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.220 -6.227 -11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.672 -7.813 -11.323 1.00 0.00 H new ATOM 610 N ASP A 40 5.473 -5.889 -9.925 1.00 0.00 N ATOM 611 CA ASP A 40 4.181 -5.239 -9.735 1.00 0.00 C ATOM 612 C ASP A 40 4.198 -4.322 -8.520 1.00 0.00 C ATOM 613 O ASP A 40 3.454 -3.343 -8.459 1.00 0.00 O ATOM 614 CB ASP A 40 3.072 -6.285 -9.589 1.00 0.00 C ATOM 615 CG ASP A 40 2.708 -7.002 -10.882 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.077 -6.522 -11.929 1.00 0.00 O ATOM 617 OD2 ASP A 40 2.205 -8.097 -10.809 1.00 0.00 O ATOM 0 H ASP A 40 5.444 -6.907 -9.873 1.00 0.00 H new ATOM 0 HA ASP A 40 3.981 -4.631 -10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.383 -7.026 -8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.180 -5.798 -9.194 1.00 0.00 H new ATOM 622 N VAL A 41 5.051 -4.643 -7.553 1.00 0.00 N ATOM 623 CA VAL A 41 5.200 -3.822 -6.358 1.00 0.00 C ATOM 624 C VAL A 41 5.550 -2.384 -6.719 1.00 0.00 C ATOM 625 O VAL A 41 4.860 -1.447 -6.317 1.00 0.00 O ATOM 626 CB VAL A 41 6.283 -4.383 -5.418 1.00 0.00 C ATOM 627 CG1 VAL A 41 6.555 -3.412 -4.279 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.864 -5.740 -4.872 1.00 0.00 C ATOM 0 H VAL A 41 5.651 -5.468 -7.574 1.00 0.00 H new ATOM 0 HA VAL A 41 4.240 -3.841 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 41 7.202 -4.510 -5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.323 -3.825 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.898 -2.461 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.639 -3.254 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.641 -6.121 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.932 -5.637 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.718 -6.435 -5.699 1.00 0.00 H new ATOM 638 N ASP A 42 6.627 -2.215 -7.479 1.00 0.00 N ATOM 639 CA ASP A 42 7.112 -0.887 -7.835 1.00 0.00 C ATOM 640 C ASP A 42 6.201 -0.225 -8.861 1.00 0.00 C ATOM 641 O ASP A 42 5.989 0.988 -8.826 1.00 0.00 O ATOM 642 CB ASP A 42 8.542 -0.966 -8.376 1.00 0.00 C ATOM 643 CG ASP A 42 9.598 -1.266 -7.321 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.285 -1.187 -6.156 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.656 -1.722 -7.681 1.00 0.00 O ATOM 0 H ASP A 42 7.181 -2.982 -7.860 1.00 0.00 H new ATOM 0 HA ASP A 42 7.108 -0.277 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.585 -1.738 -9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.787 -0.020 -8.860 1.00 0.00 H new ATOM 650 N GLU A 43 5.665 -1.027 -9.773 1.00 0.00 N ATOM 651 CA GLU A 43 4.802 -0.515 -10.832 1.00 0.00 C ATOM 652 C GLU A 43 3.506 0.048 -10.261 1.00 0.00 C ATOM 653 O GLU A 43 3.120 1.176 -10.568 1.00 0.00 O ATOM 654 CB GLU A 43 4.493 -1.613 -11.851 1.00 0.00 C ATOM 655 CG GLU A 43 5.671 -2.000 -12.734 1.00 0.00 C ATOM 656 CD GLU A 43 5.340 -3.184 -13.599 1.00 0.00 C ATOM 657 OE1 GLU A 43 4.267 -3.718 -13.456 1.00 0.00 O ATOM 658 OE2 GLU A 43 6.111 -3.486 -14.479 1.00 0.00 O ATOM 0 H GLU A 43 5.813 -2.036 -9.801 1.00 0.00 H new ATOM 0 HA GLU A 43 5.334 0.293 -11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.147 -2.499 -11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.672 -1.282 -12.486 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.950 -1.154 -13.363 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.534 -2.232 -12.111 1.00 0.00 H new ATOM 665 N ILE A 44 2.838 -0.744 -9.429 1.00 0.00 N ATOM 666 CA ILE A 44 1.587 -0.324 -8.811 1.00 0.00 C ATOM 667 C ILE A 44 1.816 0.805 -7.814 1.00 0.00 C ATOM 668 O ILE A 44 1.010 1.730 -7.714 1.00 0.00 O ATOM 669 CB ILE A 44 0.890 -1.496 -8.094 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.438 -2.550 -9.107 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.292 -0.993 -7.279 1.00 0.00 C ATOM 672 CD1 ILE A 44 -0.018 -3.845 -8.478 1.00 0.00 C ATOM 0 H ILE A 44 3.143 -1.681 -9.167 1.00 0.00 H new ATOM 0 HA ILE A 44 0.944 0.032 -9.616 1.00 0.00 H new ATOM 0 HB ILE A 44 1.604 -1.959 -7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.377 -2.140 -9.704 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.261 -2.759 -9.791 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.773 -1.834 -6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.058 -0.279 -6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.009 -0.506 -7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.323 -4.541 -9.259 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.801 -4.279 -7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.862 -3.651 -7.816 1.00 0.00 H new ATOM 684 N PHE A 45 2.920 0.723 -7.079 1.00 0.00 N ATOM 685 CA PHE A 45 3.292 1.773 -6.138 1.00 0.00 C ATOM 686 C PHE A 45 3.365 3.131 -6.826 1.00 0.00 C ATOM 687 O PHE A 45 2.791 4.109 -6.351 1.00 0.00 O ATOM 688 CB PHE A 45 4.632 1.446 -5.476 1.00 0.00 C ATOM 689 CG PHE A 45 5.105 2.497 -4.513 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.637 2.525 -3.208 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.018 3.462 -4.910 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.071 3.492 -2.321 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.455 4.430 -4.026 1.00 0.00 C ATOM 694 CZ PHE A 45 5.980 4.444 -2.730 1.00 0.00 C ATOM 0 H PHE A 45 3.573 -0.060 -7.117 1.00 0.00 H new ATOM 0 HA PHE A 45 2.519 1.822 -5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.544 0.496 -4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.386 1.311 -6.251 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.925 1.782 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.392 3.457 -5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.698 3.502 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.167 5.175 -4.349 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.320 5.200 -2.038 1.00 0.00 H new ATOM 704 N GLY A 46 4.075 3.181 -7.948 1.00 0.00 N ATOM 705 CA GLY A 46 4.218 4.417 -8.708 1.00 0.00 C ATOM 706 C GLY A 46 2.880 4.875 -9.272 1.00 0.00 C ATOM 707 O GLY A 46 2.595 6.072 -9.327 1.00 0.00 O ATOM 0 H GLY A 46 4.560 2.380 -8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.631 5.196 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.926 4.266 -9.523 1.00 0.00 H new ATOM 711 N ASP A 47 2.061 3.917 -9.691 1.00 0.00 N ATOM 712 CA ASP A 47 0.739 4.218 -10.227 1.00 0.00 C ATOM 713 C ASP A 47 -0.181 4.770 -9.146 1.00 0.00 C ATOM 714 O ASP A 47 -1.025 5.626 -9.412 1.00 0.00 O ATOM 715 CB ASP A 47 0.118 2.971 -10.860 1.00 0.00 C ATOM 716 CG ASP A 47 0.728 2.572 -12.196 1.00 0.00 C ATOM 717 OD1 ASP A 47 1.453 3.362 -12.755 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.595 1.432 -12.571 1.00 0.00 O ATOM 0 H ASP A 47 2.290 2.923 -9.670 1.00 0.00 H new ATOM 0 HA ASP A 47 0.858 4.981 -10.996 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.219 2.137 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.949 3.142 -10.999 1.00 0.00 H new ATOM 723 N SER A 48 -0.014 4.274 -7.925 1.00 0.00 N ATOM 724 CA SER A 48 -0.829 4.717 -6.799 1.00 0.00 C ATOM 725 C SER A 48 -0.351 6.062 -6.269 1.00 0.00 C ATOM 726 O SER A 48 -1.141 6.851 -5.751 1.00 0.00 O ATOM 727 CB SER A 48 -0.805 3.676 -5.697 1.00 0.00 C ATOM 728 OG SER A 48 -1.405 2.473 -6.094 1.00 0.00 O ATOM 0 H SER A 48 0.679 3.564 -7.689 1.00 0.00 H new ATOM 0 HA SER A 48 -1.854 4.840 -7.149 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.227 3.486 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.321 4.066 -4.820 1.00 0.00 H new ATOM 0 HG SER A 48 -0.794 1.981 -6.681 1.00 0.00 H new ATOM 734 N ASP A 49 0.946 6.319 -6.404 1.00 0.00 N ATOM 735 CA ASP A 49 1.519 7.599 -6.004 1.00 0.00 C ATOM 736 C ASP A 49 1.302 8.659 -7.076 1.00 0.00 C ATOM 737 O ASP A 49 2.228 9.018 -7.803 1.00 0.00 O ATOM 738 CB ASP A 49 3.014 7.447 -5.709 1.00 0.00 C ATOM 739 CG ASP A 49 3.670 8.696 -5.134 1.00 0.00 C ATOM 740 OD1 ASP A 49 2.981 9.668 -4.937 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.813 8.619 -4.751 1.00 0.00 O ATOM 0 H ASP A 49 1.621 5.657 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 49 1.010 7.924 -5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.152 6.623 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.528 7.172 -6.630 1.00 0.00 H new ATOM 746 N THR A 50 0.073 9.156 -7.168 1.00 0.00 N ATOM 747 CA THR A 50 -0.283 10.131 -8.192 1.00 0.00 C ATOM 748 C THR A 50 0.260 11.512 -7.849 1.00 0.00 C ATOM 749 O THR A 50 0.339 12.389 -8.710 1.00 0.00 O ATOM 750 CB THR A 50 -1.809 10.223 -8.379 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.418 10.645 -7.152 1.00 0.00 O ATOM 752 CG2 THR A 50 -2.379 8.873 -8.786 1.00 0.00 C ATOM 0 H THR A 50 -0.693 8.899 -6.546 1.00 0.00 H new ATOM 0 HA THR A 50 0.168 9.787 -9.123 1.00 0.00 H new ATOM 0 HB THR A 50 -2.021 10.947 -9.166 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.859 9.881 -6.726 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.458 8.957 -8.914 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.926 8.555 -9.725 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.162 8.138 -8.011 1.00 0.00 H new ATOM 760 N ASP A 51 0.634 11.699 -6.589 1.00 0.00 N ATOM 761 CA ASP A 51 1.241 12.949 -6.147 1.00 0.00 C ATOM 762 C ASP A 51 2.744 12.950 -6.398 1.00 0.00 C ATOM 763 O ASP A 51 3.404 13.981 -6.264 1.00 0.00 O ATOM 764 CB ASP A 51 0.956 13.189 -4.662 1.00 0.00 C ATOM 765 CG ASP A 51 -0.490 13.545 -4.348 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.212 13.874 -5.260 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.905 13.335 -3.233 1.00 0.00 O ATOM 0 H ASP A 51 0.527 11.000 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 51 0.797 13.758 -6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.226 12.293 -4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.601 13.993 -4.306 1.00 0.00 H new ATOM 772 N LYS A 52 3.279 11.790 -6.763 1.00 0.00 N ATOM 773 CA LYS A 52 4.704 11.656 -7.037 1.00 0.00 C ATOM 774 C LYS A 52 5.539 12.131 -5.854 1.00 0.00 C ATOM 775 O LYS A 52 6.538 12.829 -6.028 1.00 0.00 O ATOM 776 CB LYS A 52 5.084 12.437 -8.295 1.00 0.00 C ATOM 777 CG LYS A 52 4.366 11.982 -9.559 1.00 0.00 C ATOM 778 CD LYS A 52 4.794 12.803 -10.766 1.00 0.00 C ATOM 779 CE LYS A 52 4.032 12.390 -12.016 1.00 0.00 C ATOM 780 NZ LYS A 52 4.378 13.243 -13.186 1.00 0.00 N ATOM 0 H LYS A 52 2.746 10.928 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 52 4.914 10.599 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.870 13.493 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.159 12.350 -8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.578 10.928 -9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.289 12.071 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.624 13.861 -10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.864 12.678 -10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.254 11.348 -12.248 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.961 12.453 -11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.837 12.929 -14.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.143 14.234 -12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.396 13.163 -13.385 1.00 0.00 H new ATOM 794 N ASN A 53 5.123 11.749 -4.651 1.00 0.00 N ATOM 795 CA ASN A 53 5.802 12.177 -3.434 1.00 0.00 C ATOM 796 C ASN A 53 6.819 11.140 -2.977 1.00 0.00 C ATOM 797 O ASN A 53 7.595 11.383 -2.052 1.00 0.00 O ATOM 798 CB ASN A 53 4.813 12.469 -2.321 1.00 0.00 C ATOM 799 CG ASN A 53 4.009 13.720 -2.537 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.451 14.657 -3.214 1.00 0.00 O ATOM 801 ND2 ASN A 53 2.868 13.776 -1.900 1.00 0.00 N ATOM 0 H ASN A 53 4.318 11.143 -4.493 1.00 0.00 H new ATOM 0 HA ASN A 53 6.333 13.100 -3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.132 11.623 -2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.355 12.555 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.298 14.620 -1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.548 12.975 -1.355 1.00 0.00 H new ATOM 808 N GLY A 54 6.810 9.983 -3.629 1.00 0.00 N ATOM 809 CA GLY A 54 7.661 8.869 -3.225 1.00 0.00 C ATOM 810 C GLY A 54 7.014 8.060 -2.109 1.00 0.00 C ATOM 811 O GLY A 54 7.703 7.488 -1.263 1.00 0.00 O ATOM 0 H GLY A 54 6.222 9.791 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.852 8.224 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.627 9.248 -2.890 1.00 0.00 H new ATOM 815 N ARG A 55 5.686 8.014 -2.110 1.00 0.00 N ATOM 816 CA ARG A 55 4.938 7.436 -1.001 1.00 0.00 C ATOM 817 C ARG A 55 3.454 7.334 -1.330 1.00 0.00 C ATOM 818 O ARG A 55 2.947 8.062 -2.183 1.00 0.00 O ATOM 819 CB ARG A 55 5.169 8.188 0.301 1.00 0.00 C ATOM 820 CG ARG A 55 4.682 9.628 0.304 1.00 0.00 C ATOM 821 CD ARG A 55 4.913 10.350 1.580 1.00 0.00 C ATOM 822 NE ARG A 55 4.607 11.772 1.533 1.00 0.00 N ATOM 823 CZ ARG A 55 3.382 12.297 1.720 1.00 0.00 C ATOM 824 NH1 ARG A 55 2.338 11.525 1.930 1.00 0.00 N ATOM 825 NH2 ARG A 55 3.249 13.611 1.663 1.00 0.00 N ATOM 0 H ARG A 55 5.105 8.371 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 55 5.317 6.425 -0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.671 7.650 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.236 8.180 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.180 10.169 -0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.615 9.638 0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.308 9.887 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.956 10.225 1.870 1.00 0.00 H new ATOM 0 HE ARG A 55 5.375 12.416 1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.450 10.511 1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.417 11.940 2.070 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.063 14.199 1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.333 14.037 1.801 1.00 0.00 H new ATOM 839 N ILE A 56 2.763 6.427 -0.649 1.00 0.00 N ATOM 840 CA ILE A 56 1.312 6.328 -0.758 1.00 0.00 C ATOM 841 C ILE A 56 0.629 6.795 0.521 1.00 0.00 C ATOM 842 O ILE A 56 0.714 6.136 1.557 1.00 0.00 O ATOM 843 CB ILE A 56 0.866 4.888 -1.071 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.455 4.425 -2.407 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.652 4.795 -1.094 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.244 2.955 -2.690 1.00 0.00 C ATOM 0 H ILE A 56 3.185 5.749 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 56 1.015 6.977 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 56 1.238 4.231 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.008 5.008 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.524 4.637 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.950 3.771 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.049 5.085 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.046 5.462 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.688 2.702 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.715 2.362 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.176 2.739 -2.715 1.00 0.00 H new ATOM 858 N ASP A 57 -0.047 7.935 0.442 1.00 0.00 N ATOM 859 CA ASP A 57 -0.757 8.486 1.591 1.00 0.00 C ATOM 860 C ASP A 57 -2.041 7.715 1.866 1.00 0.00 C ATOM 861 O ASP A 57 -2.461 6.882 1.061 1.00 0.00 O ATOM 862 CB ASP A 57 -1.071 9.967 1.368 1.00 0.00 C ATOM 863 CG ASP A 57 -1.217 10.779 2.648 1.00 0.00 C ATOM 864 OD1 ASP A 57 -1.156 10.198 3.706 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.231 11.984 2.565 1.00 0.00 O ATOM 0 H ASP A 57 -0.119 8.497 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.108 8.389 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.279 10.406 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.994 10.048 0.794 1.00 0.00 H new ATOM 870 N PHE A 58 -2.663 7.997 3.006 1.00 0.00 N ATOM 871 CA PHE A 58 -3.900 7.328 3.390 1.00 0.00 C ATOM 872 C PHE A 58 -5.007 7.595 2.378 1.00 0.00 C ATOM 873 O PHE A 58 -5.785 6.700 2.046 1.00 0.00 O ATOM 874 CB PHE A 58 -4.341 7.780 4.783 1.00 0.00 C ATOM 875 CG PHE A 58 -5.644 7.181 5.230 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.725 5.841 5.576 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.792 7.956 5.305 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.924 5.289 5.987 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.990 7.407 5.717 1.00 0.00 C ATOM 880 CZ PHE A 58 -8.056 6.071 6.058 1.00 0.00 C ATOM 0 H PHE A 58 -2.330 8.685 3.681 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.708 6.255 3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.565 7.518 5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.429 8.866 4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.842 5.222 5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.748 9.002 5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.973 4.243 6.253 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.875 8.023 5.772 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.993 5.640 6.380 1.00 0.00 H new ATOM 890 N ASP A 59 -5.072 8.829 1.890 1.00 0.00 N ATOM 891 CA ASP A 59 -6.057 9.203 0.883 1.00 0.00 C ATOM 892 C ASP A 59 -5.898 8.368 -0.381 1.00 0.00 C ATOM 893 O ASP A 59 -6.883 7.983 -1.010 1.00 0.00 O ATOM 894 CB ASP A 59 -5.942 10.693 0.547 1.00 0.00 C ATOM 895 CG ASP A 59 -6.454 11.625 1.637 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.100 11.150 2.542 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.068 12.769 1.641 1.00 0.00 O ATOM 0 H ASP A 59 -4.453 9.588 2.176 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.046 9.009 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.897 10.928 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.495 10.890 -0.372 1.00 0.00 H new ATOM 902 N GLU A 60 -4.651 8.091 -0.748 1.00 0.00 N ATOM 903 CA GLU A 60 -4.361 7.258 -1.908 1.00 0.00 C ATOM 904 C GLU A 60 -4.349 5.781 -1.536 1.00 0.00 C ATOM 905 O GLU A 60 -4.465 4.912 -2.401 1.00 0.00 O ATOM 906 CB GLU A 60 -3.021 7.655 -2.531 1.00 0.00 C ATOM 907 CG GLU A 60 -2.976 9.078 -3.072 1.00 0.00 C ATOM 908 CD GLU A 60 -4.024 9.294 -4.128 1.00 0.00 C ATOM 909 OE1 GLU A 60 -4.012 8.584 -5.104 1.00 0.00 O ATOM 910 OE2 GLU A 60 -4.903 10.093 -3.908 1.00 0.00 O ATOM 0 H GLU A 60 -3.824 8.432 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.153 7.418 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.237 7.539 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.792 6.964 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.128 9.785 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.989 9.280 -3.489 1.00 0.00 H new ATOM 917 N PHE A 61 -4.206 5.502 -0.245 1.00 0.00 N ATOM 918 CA PHE A 61 -4.243 4.132 0.251 1.00 0.00 C ATOM 919 C PHE A 61 -5.626 3.518 0.072 1.00 0.00 C ATOM 920 O PHE A 61 -5.755 2.360 -0.324 1.00 0.00 O ATOM 921 CB PHE A 61 -3.835 4.086 1.725 1.00 0.00 C ATOM 922 CG PHE A 61 -3.890 2.711 2.326 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.849 1.813 2.137 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.981 2.311 3.083 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.898 0.548 2.690 1.00 0.00 C ATOM 926 CE2 PHE A 61 -5.032 1.048 3.637 1.00 0.00 C ATOM 927 CZ PHE A 61 -3.990 0.164 3.440 1.00 0.00 C ATOM 0 H PHE A 61 -4.063 6.208 0.477 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.532 3.547 -0.333 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.822 4.476 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.488 4.748 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.991 2.106 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.801 2.996 3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.081 -0.141 2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.888 0.751 4.225 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.030 -0.825 3.872 1.00 0.00 H new ATOM 937 N LEU A 62 -6.659 4.302 0.364 1.00 0.00 N ATOM 938 CA LEU A 62 -8.035 3.855 0.187 1.00 0.00 C ATOM 939 C LEU A 62 -8.331 3.553 -1.276 1.00 0.00 C ATOM 940 O LEU A 62 -9.153 2.690 -1.588 1.00 0.00 O ATOM 941 CB LEU A 62 -9.009 4.912 0.722 1.00 0.00 C ATOM 942 CG LEU A 62 -8.941 5.156 2.235 1.00 0.00 C ATOM 943 CD1 LEU A 62 -9.840 6.325 2.616 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.357 3.893 2.974 1.00 0.00 C ATOM 0 H LEU A 62 -6.568 5.252 0.725 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.167 2.933 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.815 5.854 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.024 4.611 0.464 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.918 5.406 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.785 6.491 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.510 7.223 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.869 6.099 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.308 4.068 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.377 3.628 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.684 3.078 2.708 1.00 0.00 H new ATOM 956 N LYS A 63 -7.658 4.267 -2.171 1.00 0.00 N ATOM 957 CA LYS A 63 -7.802 4.034 -3.603 1.00 0.00 C ATOM 958 C LYS A 63 -6.991 2.825 -4.049 1.00 0.00 C ATOM 959 O LYS A 63 -7.426 2.054 -4.904 1.00 0.00 O ATOM 960 CB LYS A 63 -7.378 5.274 -4.393 1.00 0.00 C ATOM 961 CG LYS A 63 -8.200 6.521 -4.096 1.00 0.00 C ATOM 962 CD LYS A 63 -7.650 7.733 -4.832 1.00 0.00 C ATOM 963 CE LYS A 63 -8.303 9.020 -4.346 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.631 10.228 -4.898 1.00 0.00 N ATOM 0 H LYS A 63 -7.006 5.013 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.854 3.830 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.330 5.485 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.448 5.053 -5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.237 6.354 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.199 6.713 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.572 7.792 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.820 7.619 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.354 9.025 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.272 9.054 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.116 11.082 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.639 10.246 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.668 10.201 -5.937 1.00 0.00 H new ATOM 978 N MET A 64 -5.808 2.666 -3.466 1.00 0.00 N ATOM 979 CA MET A 64 -4.934 1.548 -3.800 1.00 0.00 C ATOM 980 C MET A 64 -5.559 0.219 -3.396 1.00 0.00 C ATOM 981 O MET A 64 -5.540 -0.745 -4.160 1.00 0.00 O ATOM 982 CB MET A 64 -3.575 1.720 -3.122 1.00 0.00 C ATOM 983 CG MET A 64 -2.594 0.586 -3.383 1.00 0.00 C ATOM 984 SD MET A 64 -2.849 -0.821 -2.283 1.00 0.00 S ATOM 985 CE MET A 64 -2.289 -0.138 -0.725 1.00 0.00 C ATOM 0 H MET A 64 -5.432 3.298 -2.759 1.00 0.00 H new ATOM 0 HA MET A 64 -4.795 1.540 -4.881 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.129 2.655 -3.461 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.728 1.811 -2.047 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.693 0.256 -4.417 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.576 0.957 -3.263 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.114 -0.947 -0.015 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.362 0.414 -0.882 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.049 0.535 -0.328 1.00 0.00 H new ATOM 995 N MET A 65 -6.116 0.176 -2.190 1.00 0.00 N ATOM 996 CA MET A 65 -6.726 -1.043 -1.671 1.00 0.00 C ATOM 997 C MET A 65 -8.019 -1.368 -2.409 1.00 0.00 C ATOM 998 O MET A 65 -8.410 -2.532 -2.512 1.00 0.00 O ATOM 999 CB MET A 65 -6.993 -0.903 -0.174 1.00 0.00 C ATOM 1000 CG MET A 65 -5.739 -0.852 0.687 1.00 0.00 C ATOM 1001 SD MET A 65 -4.756 -2.361 0.574 1.00 0.00 S ATOM 1002 CE MET A 65 -5.800 -3.512 1.463 1.00 0.00 C ATOM 0 H MET A 65 -6.158 0.972 -1.553 1.00 0.00 H new ATOM 0 HA MET A 65 -6.029 -1.865 -1.832 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.573 0.004 -0.004 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.609 -1.741 0.153 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.129 -0.002 0.383 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.023 -0.685 1.726 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.243 -4.427 1.666 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.117 -3.063 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.677 -3.748 0.860 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.678 -0.335 -2.921 1.00 0.00 N ATOM 1013 CA GLU A 66 -9.886 -0.516 -3.717 1.00 0.00 C ATOM 1014 C GLU A 66 -9.573 -1.191 -5.046 1.00 0.00 C ATOM 1015 O GLU A 66 -10.250 -2.139 -5.446 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.574 0.830 -3.961 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.870 0.739 -4.754 1.00 0.00 C ATOM 1018 CD GLU A 66 -12.510 2.090 -4.910 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.966 3.046 -4.411 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -13.482 2.186 -5.622 1.00 0.00 O ATOM 0 H GLU A 66 -8.396 0.638 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.561 -1.162 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.783 1.297 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.884 1.486 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.668 0.314 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.561 0.063 -4.250 1.00 0.00 H new ATOM 1027 N ASN A 67 -8.543 -0.700 -5.726 1.00 0.00 N ATOM 1028 CA ASN A 67 -8.187 -1.204 -7.047 1.00 0.00 C ATOM 1029 C ASN A 67 -7.352 -2.473 -6.946 1.00 0.00 C ATOM 1030 O ASN A 67 -7.443 -3.358 -7.797 1.00 0.00 O ATOM 1031 CB ASN A 67 -7.451 -0.155 -7.861 1.00 0.00 C ATOM 1032 CG ASN A 67 -8.316 0.998 -8.286 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -9.545 0.885 -8.359 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -7.676 2.082 -8.645 1.00 0.00 N ATOM 0 H ASN A 67 -7.939 0.047 -5.384 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.118 -1.444 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.615 0.226 -7.274 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.029 -0.627 -8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.193 2.884 -9.005 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.660 2.125 -8.565 1.00 0.00 H new ATOM 1041 N VAL A 68 -6.537 -2.558 -5.899 1.00 0.00 N ATOM 1042 CA VAL A 68 -5.585 -3.652 -5.756 1.00 0.00 C ATOM 1043 C VAL A 68 -5.773 -4.376 -4.429 1.00 0.00 C ATOM 1044 O VAL A 68 -5.731 -3.760 -3.364 1.00 0.00 O ATOM 1045 CB VAL A 68 -4.131 -3.153 -5.856 1.00 0.00 C ATOM 1046 CG1 VAL A 68 -3.157 -4.307 -5.669 1.00 0.00 C ATOM 1047 CG2 VAL A 68 -3.894 -2.469 -7.193 1.00 0.00 C ATOM 0 H VAL A 68 -6.518 -1.881 -5.137 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.778 -4.345 -6.575 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.961 -2.426 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.135 -3.936 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.310 -4.757 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.328 -5.056 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.862 -2.123 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.082 -3.175 -8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.568 -1.618 -7.291 1.00 0.00 H new ATOM 1057 N GLN A 69 -5.980 -5.687 -4.500 1.00 0.00 N ATOM 1058 CA GLN A 69 -6.184 -6.495 -3.304 1.00 0.00 C ATOM 1059 C GLN A 69 -5.068 -6.275 -2.291 1.00 0.00 C ATOM 1060 O GLN A 69 -5.084 -5.308 -1.581 1.00 0.00 O ATOM 1061 CB GLN A 69 -6.265 -7.980 -3.668 1.00 0.00 C ATOM 1062 CG GLN A 69 -6.584 -8.893 -2.497 1.00 0.00 C ATOM 1063 CD GLN A 69 -6.699 -10.348 -2.910 1.00 0.00 C ATOM 1064 OE1 GLN A 69 -6.454 -10.700 -4.067 1.00 0.00 O ATOM 1065 NE2 GLN A 69 -7.077 -11.202 -1.966 1.00 0.00 N ATOM 1066 OXT GLN A 69 -4.171 -7.068 -2.204 1.00 0.00 O ATOM 0 H GLN A 69 -6.011 -6.212 -5.374 1.00 0.00 H new ATOM 0 HA GLN A 69 -7.126 -6.183 -2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.027 -8.113 -4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.315 -8.287 -4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.806 -8.794 -1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.519 -8.574 -2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.269 -10.867 -1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.175 -12.193 -2.185 1.00 0.00 H new TER 1075 GLN A 69