USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 486 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=-0.123) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 88:sc= 0.682 USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0.946 (180deg=0.905) USER MOD Single : A 17 ASN : amide:sc=-0.00911 K(o=-0.0091,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 1:sc= 0.324 USER MOD Single : A 35 GLN : amide:sc= -0.0485 X(o=-0.048,f=-0.28) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.398 USER MOD Single : A 48 SER OG : rot 76:sc= 1.07 USER MOD Single : A 50 THR OG1 : rot -61:sc= 0.765 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.237 K(o=-0.24,f=-0.88) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 176:sc= -0.336 (180deg=-0.351) USER MOD Single : A 65 MET CE :methyl -168:sc= -0.0082 (180deg=-0.205) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.924 0.226 5.485 1.00 0.00 N ATOM 2 CA SER A 1 -14.730 -0.343 4.871 1.00 0.00 C ATOM 3 C SER A 1 -13.512 0.540 5.114 1.00 0.00 C ATOM 4 O SER A 1 -12.416 0.044 5.372 1.00 0.00 O ATOM 5 CB SER A 1 -14.951 -0.541 3.384 1.00 0.00 C ATOM 6 OG SER A 1 -16.019 -1.409 3.122 1.00 0.00 O ATOM 0 H1 SER A 1 -16.696 -0.470 5.452 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.722 0.472 6.475 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.207 1.082 4.966 1.00 0.00 H new ATOM 0 HA SER A 1 -14.539 -1.312 5.333 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.145 0.424 2.915 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.042 -0.938 2.932 1.00 0.00 H new ATOM 0 HG SER A 1 -16.130 -1.509 2.153 1.00 0.00 H new ATOM 14 N GLU A 2 -13.712 1.850 5.029 1.00 0.00 N ATOM 15 CA GLU A 2 -12.619 2.803 5.178 1.00 0.00 C ATOM 16 C GLU A 2 -12.038 2.760 6.586 1.00 0.00 C ATOM 17 O GLU A 2 -10.850 3.014 6.786 1.00 0.00 O ATOM 18 CB GLU A 2 -13.094 4.221 4.849 1.00 0.00 C ATOM 19 CG GLU A 2 -13.416 4.450 3.379 1.00 0.00 C ATOM 20 CD GLU A 2 -13.954 5.834 3.147 1.00 0.00 C ATOM 21 OE1 GLU A 2 -14.128 6.551 4.104 1.00 0.00 O ATOM 22 OE2 GLU A 2 -14.085 6.217 2.009 1.00 0.00 O ATOM 0 H GLU A 2 -14.622 2.277 4.857 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.834 2.521 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.982 4.440 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.324 4.929 5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.517 4.302 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.146 3.713 3.045 1.00 0.00 H new ATOM 29 N GLU A 3 -12.882 2.436 7.558 1.00 0.00 N ATOM 30 CA GLU A 3 -12.441 2.295 8.941 1.00 0.00 C ATOM 31 C GLU A 3 -11.538 1.079 9.109 1.00 0.00 C ATOM 32 O GLU A 3 -10.571 1.113 9.869 1.00 0.00 O ATOM 33 CB GLU A 3 -13.645 2.191 9.880 1.00 0.00 C ATOM 34 CG GLU A 3 -14.440 3.480 10.029 1.00 0.00 C ATOM 35 CD GLU A 3 -15.664 3.271 10.876 1.00 0.00 C ATOM 36 OE1 GLU A 3 -15.912 2.155 11.265 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.291 4.243 11.228 1.00 0.00 O ATOM 0 H GLU A 3 -13.877 2.266 7.414 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.867 3.184 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.310 1.409 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.297 1.878 10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.811 4.248 10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.734 3.845 9.045 1.00 0.00 H new ATOM 44 N GLU A 4 -11.862 0.006 8.396 1.00 0.00 N ATOM 45 CA GLU A 4 -11.023 -1.187 8.384 1.00 0.00 C ATOM 46 C GLU A 4 -9.731 -0.945 7.614 1.00 0.00 C ATOM 47 O GLU A 4 -8.678 -1.477 7.966 1.00 0.00 O ATOM 48 CB GLU A 4 -11.782 -2.370 7.779 1.00 0.00 C ATOM 49 CG GLU A 4 -12.927 -2.889 8.638 1.00 0.00 C ATOM 50 CD GLU A 4 -13.668 -4.000 7.948 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.327 -4.311 6.832 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.499 -4.612 8.575 1.00 0.00 O ATOM 0 H GLU A 4 -12.700 -0.062 7.818 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.765 -1.423 9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.178 -2.073 6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.079 -3.184 7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.536 -3.246 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.615 -2.074 8.861 1.00 0.00 H new ATOM 59 N LEU A 5 -9.818 -0.139 6.562 1.00 0.00 N ATOM 60 CA LEU A 5 -8.644 0.230 5.780 1.00 0.00 C ATOM 61 C LEU A 5 -7.749 1.191 6.552 1.00 0.00 C ATOM 62 O LEU A 5 -6.539 1.243 6.327 1.00 0.00 O ATOM 63 CB LEU A 5 -9.070 0.853 4.445 1.00 0.00 C ATOM 64 CG LEU A 5 -9.724 -0.116 3.452 1.00 0.00 C ATOM 65 CD1 LEU A 5 -10.242 0.649 2.241 1.00 0.00 C ATOM 66 CD2 LEU A 5 -8.712 -1.170 3.030 1.00 0.00 C ATOM 0 H LEU A 5 -10.691 0.272 6.231 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.072 -0.676 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.767 1.666 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.193 1.296 3.972 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.569 -0.612 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.705 -0.047 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.980 1.384 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.413 1.159 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.177 -1.859 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.858 -0.686 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.375 -1.722 3.907 1.00 0.00 H new ATOM 78 N SER A 6 -8.349 1.949 7.463 1.00 0.00 N ATOM 79 CA SER A 6 -7.591 2.802 8.370 1.00 0.00 C ATOM 80 C SER A 6 -6.779 1.974 9.356 1.00 0.00 C ATOM 81 O SER A 6 -5.623 2.285 9.640 1.00 0.00 O ATOM 82 CB SER A 6 -8.527 3.739 9.109 1.00 0.00 C ATOM 83 OG SER A 6 -7.839 4.576 10.000 1.00 0.00 O ATOM 0 H SER A 6 -9.360 1.990 7.593 1.00 0.00 H new ATOM 0 HA SER A 6 -6.893 3.393 7.777 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.073 4.348 8.389 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.266 3.155 9.658 1.00 0.00 H new ATOM 0 HG SER A 6 -8.477 5.165 10.455 1.00 0.00 H new ATOM 89 N GLU A 7 -7.392 0.916 9.878 1.00 0.00 N ATOM 90 CA GLU A 7 -6.697 -0.016 10.756 1.00 0.00 C ATOM 91 C GLU A 7 -5.568 -0.727 10.022 1.00 0.00 C ATOM 92 O GLU A 7 -4.456 -0.845 10.537 1.00 0.00 O ATOM 93 CB GLU A 7 -7.676 -1.041 11.334 1.00 0.00 C ATOM 94 CG GLU A 7 -8.665 -0.469 12.340 1.00 0.00 C ATOM 95 CD GLU A 7 -9.700 -1.487 12.728 1.00 0.00 C ATOM 96 OE1 GLU A 7 -9.688 -2.560 12.174 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.434 -1.235 13.655 1.00 0.00 O ATOM 0 H GLU A 7 -8.370 0.683 9.707 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.263 0.559 11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.232 -1.496 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.108 -1.837 11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.130 -0.134 13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.155 0.407 11.914 1.00 0.00 H new ATOM 104 N CYS A 8 -5.859 -1.202 8.815 1.00 0.00 N ATOM 105 CA CYS A 8 -4.855 -1.859 7.987 1.00 0.00 C ATOM 106 C CYS A 8 -3.753 -0.888 7.583 1.00 0.00 C ATOM 107 O CYS A 8 -2.582 -1.258 7.516 1.00 0.00 O ATOM 108 CB CYS A 8 -5.662 -2.298 6.764 1.00 0.00 C ATOM 109 SG CYS A 8 -6.814 -3.658 7.075 1.00 0.00 S ATOM 0 H CYS A 8 -6.784 -1.144 8.388 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.350 -2.680 8.496 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.223 -1.442 6.388 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.971 -2.597 5.976 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.953 -3.178 7.478 1.00 0.00 H new ATOM 115 N PHE A 9 -4.137 0.355 7.314 1.00 0.00 N ATOM 116 CA PHE A 9 -3.176 1.395 6.967 1.00 0.00 C ATOM 117 C PHE A 9 -2.148 1.587 8.076 1.00 0.00 C ATOM 118 O PHE A 9 -0.945 1.645 7.817 1.00 0.00 O ATOM 119 CB PHE A 9 -3.895 2.715 6.683 1.00 0.00 C ATOM 120 CG PHE A 9 -2.970 3.850 6.347 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.417 3.961 5.080 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.648 4.807 7.297 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.566 5.004 4.770 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.798 5.852 6.989 1.00 0.00 C ATOM 125 CZ PHE A 9 -1.256 5.950 5.724 1.00 0.00 C ATOM 0 H PHE A 9 -5.108 0.667 7.330 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.651 1.077 6.066 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.590 2.569 5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.489 2.989 7.555 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.654 3.224 4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.067 4.735 8.290 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.143 5.079 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.558 6.592 7.738 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.591 6.766 5.482 1.00 0.00 H new ATOM 135 N ARG A 10 -2.628 1.684 9.311 1.00 0.00 N ATOM 136 CA ARG A 10 -1.749 1.824 10.466 1.00 0.00 C ATOM 137 C ARG A 10 -0.848 0.606 10.623 1.00 0.00 C ATOM 138 O ARG A 10 0.328 0.732 10.965 1.00 0.00 O ATOM 139 CB ARG A 10 -2.523 2.113 11.743 1.00 0.00 C ATOM 140 CG ARG A 10 -3.090 3.521 11.844 1.00 0.00 C ATOM 141 CD ARG A 10 -3.840 3.792 13.097 1.00 0.00 C ATOM 142 NE ARG A 10 -4.297 5.164 13.241 1.00 0.00 N ATOM 143 CZ ARG A 10 -4.962 5.640 14.311 1.00 0.00 C ATOM 144 NH1 ARG A 10 -5.283 4.854 15.315 1.00 0.00 N ATOM 145 NH2 ARG A 10 -5.305 6.917 14.316 1.00 0.00 N ATOM 0 H ARG A 10 -3.622 1.668 9.538 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.112 2.689 10.281 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.344 1.400 11.822 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.866 1.939 12.596 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.271 4.236 11.763 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.750 3.695 10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.704 3.128 13.139 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.205 3.543 13.947 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.100 5.812 12.478 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.028 3.867 15.291 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.787 5.232 16.117 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.065 7.513 13.523 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.809 7.306 15.112 1.00 0.00 H new ATOM 159 N ILE A 11 -1.406 -0.573 10.371 1.00 0.00 N ATOM 160 CA ILE A 11 -0.655 -1.816 10.489 1.00 0.00 C ATOM 161 C ILE A 11 0.420 -1.916 9.413 1.00 0.00 C ATOM 162 O ILE A 11 1.561 -2.280 9.694 1.00 0.00 O ATOM 163 CB ILE A 11 -1.577 -3.046 10.394 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.484 -3.129 11.625 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.756 -4.317 10.247 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.615 -4.121 11.483 1.00 0.00 C ATOM 0 H ILE A 11 -2.377 -0.693 10.083 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.182 -1.803 11.471 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.205 -2.941 9.510 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.881 -3.401 12.491 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.902 -2.142 11.824 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.424 -5.176 10.181 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.152 -4.257 9.342 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.103 -4.430 11.112 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.213 -4.123 12.394 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.242 -3.839 10.637 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.206 -5.117 11.315 1.00 0.00 H new ATOM 178 N PHE A 12 0.047 -1.588 8.180 1.00 0.00 N ATOM 179 CA PHE A 12 0.909 -1.831 7.030 1.00 0.00 C ATOM 180 C PHE A 12 2.084 -0.862 7.007 1.00 0.00 C ATOM 181 O PHE A 12 3.166 -1.194 6.525 1.00 0.00 O ATOM 182 CB PHE A 12 0.109 -1.720 5.730 1.00 0.00 C ATOM 183 CG PHE A 12 -0.935 -2.786 5.568 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.916 -3.923 6.363 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.940 -2.656 4.621 1.00 0.00 C ATOM 186 CE1 PHE A 12 -1.878 -4.905 6.215 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.902 -3.635 4.471 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.870 -4.762 5.269 1.00 0.00 C ATOM 0 H PHE A 12 -0.847 -1.153 7.952 1.00 0.00 H new ATOM 0 HA PHE A 12 1.305 -2.843 7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.374 -0.743 5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.797 -1.767 4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.141 -4.042 7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.970 -1.778 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.852 -5.785 6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.679 -3.520 3.730 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.621 -5.529 5.152 1.00 0.00 H new ATOM 198 N ASP A 13 1.863 0.339 7.532 1.00 0.00 N ATOM 199 CA ASP A 13 2.938 1.311 7.698 1.00 0.00 C ATOM 200 C ASP A 13 3.839 0.941 8.869 1.00 0.00 C ATOM 201 O ASP A 13 3.700 1.481 9.967 1.00 0.00 O ATOM 202 CB ASP A 13 2.364 2.715 7.900 1.00 0.00 C ATOM 203 CG ASP A 13 3.410 3.821 7.953 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.577 3.510 7.906 1.00 0.00 O ATOM 205 OD2 ASP A 13 3.037 4.967 7.883 1.00 0.00 O ATOM 0 H ASP A 13 0.949 0.662 7.850 1.00 0.00 H new ATOM 0 HA ASP A 13 3.539 1.301 6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.667 2.929 7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.790 2.730 8.827 1.00 0.00 H new ATOM 210 N LYS A 14 4.764 0.017 8.629 1.00 0.00 N ATOM 211 CA LYS A 14 5.607 -0.518 9.691 1.00 0.00 C ATOM 212 C LYS A 14 6.599 0.527 10.186 1.00 0.00 C ATOM 213 O LYS A 14 6.927 0.572 11.371 1.00 0.00 O ATOM 214 CB LYS A 14 6.352 -1.763 9.207 1.00 0.00 C ATOM 215 CG LYS A 14 5.463 -2.978 8.975 1.00 0.00 C ATOM 216 CD LYS A 14 6.267 -4.161 8.458 1.00 0.00 C ATOM 217 CE LYS A 14 5.379 -5.374 8.223 1.00 0.00 C ATOM 218 NZ LYS A 14 6.141 -6.521 7.657 1.00 0.00 N ATOM 0 H LYS A 14 4.949 -0.377 7.706 1.00 0.00 H new ATOM 0 HA LYS A 14 4.960 -0.794 10.523 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.869 -1.524 8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.116 -2.022 9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.967 -3.252 9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.680 -2.727 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.764 -3.886 7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.048 -4.413 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.918 -5.674 9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.570 -5.105 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.529 -7.361 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.460 -6.285 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.967 -6.719 8.257 1.00 0.00 H new ATOM 232 N ASP A 15 7.074 1.365 9.270 1.00 0.00 N ATOM 233 CA ASP A 15 8.017 2.422 9.615 1.00 0.00 C ATOM 234 C ASP A 15 7.355 3.492 10.474 1.00 0.00 C ATOM 235 O ASP A 15 7.986 4.069 11.359 1.00 0.00 O ATOM 236 CB ASP A 15 8.603 3.052 8.349 1.00 0.00 C ATOM 237 CG ASP A 15 9.618 2.178 7.623 1.00 0.00 C ATOM 238 OD1 ASP A 15 10.054 1.209 8.196 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.828 2.394 6.454 1.00 0.00 O ATOM 0 H ASP A 15 6.821 1.332 8.282 1.00 0.00 H new ATOM 0 HA ASP A 15 8.824 1.972 10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.788 3.287 7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.079 3.996 8.614 1.00 0.00 H new ATOM 244 N GLY A 16 6.080 3.752 10.208 1.00 0.00 N ATOM 245 CA GLY A 16 5.336 4.770 10.939 1.00 0.00 C ATOM 246 C GLY A 16 5.569 6.154 10.348 1.00 0.00 C ATOM 247 O GLY A 16 5.576 7.154 11.066 1.00 0.00 O ATOM 0 H GLY A 16 5.539 3.270 9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.272 4.535 10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.638 4.763 11.986 1.00 0.00 H new ATOM 251 N ASN A 17 5.760 6.207 9.035 1.00 0.00 N ATOM 252 CA ASN A 17 6.118 7.449 8.360 1.00 0.00 C ATOM 253 C ASN A 17 4.880 8.272 8.027 1.00 0.00 C ATOM 254 O ASN A 17 4.978 9.456 7.705 1.00 0.00 O ATOM 255 CB ASN A 17 6.927 7.186 7.104 1.00 0.00 C ATOM 256 CG ASN A 17 8.317 6.680 7.374 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.881 6.901 8.452 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.902 6.073 6.372 1.00 0.00 N ATOM 0 H ASN A 17 5.673 5.402 8.415 1.00 0.00 H new ATOM 0 HA ASN A 17 6.738 8.022 9.050 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.399 6.458 6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.992 8.107 6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.868 5.758 6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.392 5.915 5.503 1.00 0.00 H new ATOM 265 N GLY A 18 3.716 7.637 8.106 1.00 0.00 N ATOM 266 CA GLY A 18 2.458 8.301 7.784 1.00 0.00 C ATOM 267 C GLY A 18 1.990 7.943 6.380 1.00 0.00 C ATOM 268 O GLY A 18 1.186 8.659 5.783 1.00 0.00 O ATOM 0 H GLY A 18 3.617 6.662 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.696 8.013 8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.583 9.381 7.864 1.00 0.00 H new ATOM 272 N PHE A 19 2.499 6.833 5.857 1.00 0.00 N ATOM 273 CA PHE A 19 2.169 6.403 4.504 1.00 0.00 C ATOM 274 C PHE A 19 2.734 5.018 4.213 1.00 0.00 C ATOM 275 O PHE A 19 3.595 4.524 4.940 1.00 0.00 O ATOM 276 CB PHE A 19 2.693 7.411 3.480 1.00 0.00 C ATOM 277 CG PHE A 19 4.185 7.591 3.516 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.020 6.717 2.836 1.00 0.00 C ATOM 279 CD2 PHE A 19 4.756 8.632 4.231 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.392 6.881 2.868 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.126 8.800 4.264 1.00 0.00 C ATOM 282 CZ PHE A 19 6.945 7.923 3.581 1.00 0.00 C ATOM 0 H PHE A 19 3.142 6.214 6.350 1.00 0.00 H new ATOM 0 HA PHE A 19 1.083 6.351 4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.399 7.087 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.216 8.375 3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.593 5.899 2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.121 9.320 4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.031 6.193 2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.557 9.617 4.824 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.017 8.053 3.605 1.00 0.00 H new ATOM 292 N ILE A 20 2.243 4.397 3.146 1.00 0.00 N ATOM 293 CA ILE A 20 2.704 3.071 2.752 1.00 0.00 C ATOM 294 C ILE A 20 3.912 3.160 1.829 1.00 0.00 C ATOM 295 O ILE A 20 3.832 3.730 0.740 1.00 0.00 O ATOM 296 CB ILE A 20 1.591 2.270 2.052 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.358 2.168 2.953 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.091 0.886 1.670 1.00 0.00 C ATOM 299 CD1 ILE A 20 0.634 1.530 4.294 1.00 0.00 C ATOM 0 H ILE A 20 1.525 4.791 2.538 1.00 0.00 H new ATOM 0 HA ILE A 20 2.989 2.553 3.668 1.00 0.00 H new ATOM 0 HB ILE A 20 1.308 2.796 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.047 3.167 3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.410 1.591 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.291 0.334 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.939 0.980 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.401 0.351 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.287 1.493 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.010 0.518 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.379 2.118 4.830 1.00 0.00 H new ATOM 311 N ASP A 21 5.030 2.592 2.269 1.00 0.00 N ATOM 312 CA ASP A 21 6.261 2.620 1.489 1.00 0.00 C ATOM 313 C ASP A 21 6.253 1.547 0.407 1.00 0.00 C ATOM 314 O ASP A 21 5.381 0.679 0.389 1.00 0.00 O ATOM 315 CB ASP A 21 7.478 2.438 2.399 1.00 0.00 C ATOM 316 CG ASP A 21 8.767 3.041 1.856 1.00 0.00 C ATOM 317 OD1 ASP A 21 8.746 3.547 0.758 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.715 3.133 2.598 1.00 0.00 O ATOM 0 H ASP A 21 5.108 2.106 3.163 1.00 0.00 H new ATOM 0 HA ASP A 21 6.324 3.594 1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.262 2.887 3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.633 1.373 2.569 1.00 0.00 H new ATOM 323 N ARG A 22 7.229 1.612 -0.492 1.00 0.00 N ATOM 324 CA ARG A 22 7.332 0.650 -1.582 1.00 0.00 C ATOM 325 C ARG A 22 7.568 -0.759 -1.053 1.00 0.00 C ATOM 326 O ARG A 22 6.882 -1.702 -1.444 1.00 0.00 O ATOM 327 CB ARG A 22 8.391 1.047 -2.600 1.00 0.00 C ATOM 328 CG ARG A 22 8.519 0.109 -3.790 1.00 0.00 C ATOM 329 CD ARG A 22 9.565 0.499 -4.768 1.00 0.00 C ATOM 330 NE ARG A 22 10.918 0.502 -4.235 1.00 0.00 N ATOM 331 CZ ARG A 22 11.977 1.074 -4.839 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.856 1.656 -6.012 1.00 0.00 N ATOM 333 NH2 ARG A 22 13.150 1.014 -4.233 1.00 0.00 N ATOM 0 H ARG A 22 7.961 2.322 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 22 6.375 0.655 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.164 2.048 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.356 1.104 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.737 -0.895 -3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.559 0.060 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.524 -0.184 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.336 1.494 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 22 11.076 0.038 -3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.949 1.679 -6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.669 2.084 -6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.235 0.543 -3.332 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.970 1.438 -4.666 1.00 0.00 H new ATOM 347 N GLU A 23 8.543 -0.895 -0.161 1.00 0.00 N ATOM 348 CA GLU A 23 8.875 -2.190 0.420 1.00 0.00 C ATOM 349 C GLU A 23 7.759 -2.687 1.330 1.00 0.00 C ATOM 350 O GLU A 23 7.534 -3.891 1.451 1.00 0.00 O ATOM 351 CB GLU A 23 10.189 -2.107 1.200 1.00 0.00 C ATOM 352 CG GLU A 23 11.425 -1.924 0.329 1.00 0.00 C ATOM 353 CD GLU A 23 12.662 -1.747 1.167 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.542 -1.706 2.367 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.737 -1.766 0.615 1.00 0.00 O ATOM 0 H GLU A 23 9.118 -0.123 0.176 1.00 0.00 H new ATOM 0 HA GLU A 23 8.992 -2.901 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.128 -1.277 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.306 -3.016 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.545 -2.790 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.293 -1.055 -0.316 1.00 0.00 H new ATOM 362 N GLU A 24 7.061 -1.753 1.967 1.00 0.00 N ATOM 363 CA GLU A 24 5.937 -2.093 2.833 1.00 0.00 C ATOM 364 C GLU A 24 4.768 -2.644 2.025 1.00 0.00 C ATOM 365 O GLU A 24 4.046 -3.528 2.486 1.00 0.00 O ATOM 366 CB GLU A 24 5.491 -0.870 3.636 1.00 0.00 C ATOM 367 CG GLU A 24 6.455 -0.456 4.739 1.00 0.00 C ATOM 368 CD GLU A 24 6.021 0.826 5.391 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.080 1.421 4.923 1.00 0.00 O ATOM 370 OE2 GLU A 24 6.557 1.155 6.424 1.00 0.00 O ATOM 0 H GLU A 24 7.254 -0.754 1.900 1.00 0.00 H new ATOM 0 HA GLU A 24 6.270 -2.868 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.358 -0.031 2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.517 -1.077 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.514 -1.245 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.456 -0.335 4.324 1.00 0.00 H new ATOM 377 N PHE A 25 4.588 -2.116 0.819 1.00 0.00 N ATOM 378 CA PHE A 25 3.596 -2.646 -0.108 1.00 0.00 C ATOM 379 C PHE A 25 3.945 -4.066 -0.537 1.00 0.00 C ATOM 380 O PHE A 25 3.065 -4.913 -0.689 1.00 0.00 O ATOM 381 CB PHE A 25 3.474 -1.741 -1.336 1.00 0.00 C ATOM 382 CG PHE A 25 2.475 -2.224 -2.348 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.114 -2.154 -2.090 1.00 0.00 C ATOM 384 CD2 PHE A 25 2.894 -2.751 -3.561 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.195 -2.598 -3.020 1.00 0.00 C ATOM 386 CE2 PHE A 25 1.977 -3.195 -4.495 1.00 0.00 C ATOM 387 CZ PHE A 25 0.626 -3.118 -4.222 1.00 0.00 C ATOM 0 H PHE A 25 5.117 -1.321 0.461 1.00 0.00 H new ATOM 0 HA PHE A 25 2.637 -2.673 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.193 -0.739 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.450 -1.659 -1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.769 -1.747 -1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.950 -2.815 -3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.862 -2.538 -2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.317 -3.601 -5.436 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.093 -3.465 -4.950 1.00 0.00 H new ATOM 397 N GLY A 26 5.235 -4.320 -0.729 1.00 0.00 N ATOM 398 CA GLY A 26 5.720 -5.671 -0.988 1.00 0.00 C ATOM 399 C GLY A 26 5.230 -6.644 0.077 1.00 0.00 C ATOM 400 O GLY A 26 4.874 -7.783 -0.227 1.00 0.00 O ATOM 0 H GLY A 26 5.964 -3.607 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.380 -6.001 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.810 -5.671 -1.011 1.00 0.00 H new ATOM 404 N ASP A 27 5.215 -6.191 1.325 1.00 0.00 N ATOM 405 CA ASP A 27 4.688 -6.990 2.425 1.00 0.00 C ATOM 406 C ASP A 27 3.174 -7.127 2.328 1.00 0.00 C ATOM 407 O ASP A 27 2.622 -8.203 2.559 1.00 0.00 O ATOM 408 CB ASP A 27 5.075 -6.372 3.770 1.00 0.00 C ATOM 409 CG ASP A 27 6.543 -6.536 4.139 1.00 0.00 C ATOM 410 OD1 ASP A 27 7.225 -7.275 3.469 1.00 0.00 O ATOM 411 OD2 ASP A 27 7.008 -5.807 4.982 1.00 0.00 O ATOM 0 H ASP A 27 5.563 -5.273 1.601 1.00 0.00 H new ATOM 0 HA ASP A 27 5.126 -7.985 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.835 -5.309 3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.464 -6.822 4.552 1.00 0.00 H new ATOM 416 N ILE A 28 2.505 -6.030 1.985 1.00 0.00 N ATOM 417 CA ILE A 28 1.056 -6.034 1.827 1.00 0.00 C ATOM 418 C ILE A 28 0.613 -7.102 0.835 1.00 0.00 C ATOM 419 O ILE A 28 -0.397 -7.775 1.043 1.00 0.00 O ATOM 420 CB ILE A 28 0.535 -4.664 1.358 1.00 0.00 C ATOM 421 CG1 ILE A 28 0.711 -3.619 2.462 1.00 0.00 C ATOM 422 CG2 ILE A 28 -0.924 -4.763 0.941 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.394 -2.207 2.024 1.00 0.00 C ATOM 0 H ILE A 28 2.945 -5.126 1.811 1.00 0.00 H new ATOM 0 HA ILE A 28 0.634 -6.256 2.807 1.00 0.00 H new ATOM 0 HB ILE A 28 1.118 -4.350 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.069 -3.881 3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.739 -3.655 2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.276 -3.785 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.021 -5.477 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.523 -5.098 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.542 -1.525 2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.053 -1.924 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.643 -2.153 1.691 1.00 0.00 H new ATOM 435 N ILE A 29 1.375 -7.254 -0.242 1.00 0.00 N ATOM 436 CA ILE A 29 1.082 -8.266 -1.252 1.00 0.00 C ATOM 437 C ILE A 29 1.041 -9.659 -0.638 1.00 0.00 C ATOM 438 O ILE A 29 0.170 -10.465 -0.962 1.00 0.00 O ATOM 439 CB ILE A 29 2.119 -8.246 -2.389 1.00 0.00 C ATOM 440 CG1 ILE A 29 2.005 -6.948 -3.194 1.00 0.00 C ATOM 441 CG2 ILE A 29 1.939 -9.455 -3.294 1.00 0.00 C ATOM 442 CD1 ILE A 29 3.166 -6.706 -4.130 1.00 0.00 C ATOM 0 H ILE A 29 2.201 -6.689 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 29 0.102 -8.025 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 29 3.116 -8.291 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.082 -6.971 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.927 -6.109 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.680 -9.425 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.069 -10.368 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.939 -9.440 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.013 -5.768 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.091 -6.650 -3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.233 -7.525 -4.846 1.00 0.00 H new ATOM 454 N ARG A 30 1.989 -9.937 0.250 1.00 0.00 N ATOM 455 CA ARG A 30 2.030 -11.215 0.953 1.00 0.00 C ATOM 456 C ARG A 30 0.901 -11.322 1.969 1.00 0.00 C ATOM 457 O ARG A 30 0.405 -12.414 2.248 1.00 0.00 O ATOM 458 CB ARG A 30 3.385 -11.472 1.595 1.00 0.00 C ATOM 459 CG ARG A 30 4.511 -11.772 0.618 1.00 0.00 C ATOM 460 CD ARG A 30 5.831 -12.002 1.258 1.00 0.00 C ATOM 461 NE ARG A 30 6.899 -12.339 0.330 1.00 0.00 N ATOM 462 CZ ARG A 30 8.179 -12.566 0.687 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.563 -12.456 1.939 1.00 0.00 N ATOM 464 NH2 ARG A 30 9.045 -12.879 -0.261 1.00 0.00 N ATOM 0 H ARG A 30 2.740 -9.294 0.501 1.00 0.00 H new ATOM 0 HA ARG A 30 1.881 -11.996 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.661 -10.600 2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.290 -12.310 2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.245 -12.653 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.600 -10.941 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.115 -11.106 1.809 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.732 -12.806 1.987 1.00 0.00 H new ATOM 0 HE ARG A 30 6.663 -12.408 -0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.888 -12.195 2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.536 -12.631 2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.738 -12.943 -1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.021 -13.056 -0.022 1.00 0.00 H new ATOM 478 N LEU A 31 0.498 -10.182 2.519 1.00 0.00 N ATOM 479 CA LEU A 31 -0.576 -10.145 3.506 1.00 0.00 C ATOM 480 C LEU A 31 -1.936 -10.328 2.846 1.00 0.00 C ATOM 481 O LEU A 31 -2.890 -10.777 3.483 1.00 0.00 O ATOM 482 CB LEU A 31 -0.534 -8.825 4.285 1.00 0.00 C ATOM 483 CG LEU A 31 0.706 -8.626 5.166 1.00 0.00 C ATOM 484 CD1 LEU A 31 0.700 -7.227 5.768 1.00 0.00 C ATOM 485 CD2 LEU A 31 0.728 -9.683 6.260 1.00 0.00 C ATOM 0 H LEU A 31 0.899 -9.270 2.298 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.426 -10.971 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.591 -8.000 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.421 -8.765 4.915 1.00 0.00 H new ATOM 0 HG LEU A 31 1.604 -8.732 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.584 -7.095 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.707 -6.487 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.195 -7.096 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.609 -9.541 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.170 -9.592 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.760 -10.674 5.808 1.00 0.00 H new ATOM 497 N THR A 32 -2.021 -9.979 1.568 1.00 0.00 N ATOM 498 CA THR A 32 -3.246 -10.167 0.801 1.00 0.00 C ATOM 499 C THR A 32 -3.219 -11.483 0.033 1.00 0.00 C ATOM 500 O THR A 32 -4.256 -11.975 -0.412 1.00 0.00 O ATOM 501 CB THR A 32 -3.476 -9.011 -0.191 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.362 -8.921 -1.089 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.632 -7.694 0.553 1.00 0.00 C ATOM 0 H THR A 32 -1.254 -9.563 1.040 1.00 0.00 H new ATOM 0 HA THR A 32 -4.065 -10.185 1.520 1.00 0.00 H new ATOM 0 HB THR A 32 -4.389 -9.209 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.711 -9.621 -0.874 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.794 -6.888 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.486 -7.756 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.729 -7.492 1.128 1.00 0.00 H new ATOM 511 N GLY A 33 -2.027 -12.048 -0.119 1.00 0.00 N ATOM 512 CA GLY A 33 -1.878 -13.379 -0.696 1.00 0.00 C ATOM 513 C GLY A 33 -1.912 -13.327 -2.218 1.00 0.00 C ATOM 514 O GLY A 33 -2.412 -14.244 -2.870 1.00 0.00 O ATOM 0 H GLY A 33 -1.149 -11.605 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.937 -13.818 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.676 -14.027 -0.334 1.00 0.00 H new ATOM 518 N GLU A 34 -1.376 -12.249 -2.779 1.00 0.00 N ATOM 519 CA GLU A 34 -1.349 -12.072 -4.227 1.00 0.00 C ATOM 520 C GLU A 34 0.014 -12.435 -4.801 1.00 0.00 C ATOM 521 O GLU A 34 1.036 -12.309 -4.127 1.00 0.00 O ATOM 522 CB GLU A 34 -1.708 -10.630 -4.597 1.00 0.00 C ATOM 523 CG GLU A 34 -3.127 -10.221 -4.227 1.00 0.00 C ATOM 524 CD GLU A 34 -4.140 -11.133 -4.861 1.00 0.00 C ATOM 525 OE1 GLU A 34 -4.109 -11.284 -6.059 1.00 0.00 O ATOM 526 OE2 GLU A 34 -4.875 -11.765 -4.139 1.00 0.00 O ATOM 0 H GLU A 34 -0.954 -11.484 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.091 -12.744 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.008 -9.956 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.573 -10.499 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.243 -10.242 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.307 -9.195 -4.547 1.00 0.00 H new ATOM 533 N GLN A 35 0.022 -12.887 -6.050 1.00 0.00 N ATOM 534 CA GLN A 35 1.261 -13.265 -6.721 1.00 0.00 C ATOM 535 C GLN A 35 1.743 -12.158 -7.650 1.00 0.00 C ATOM 536 O GLN A 35 1.700 -12.299 -8.872 1.00 0.00 O ATOM 537 CB GLN A 35 1.068 -14.560 -7.514 1.00 0.00 C ATOM 538 CG GLN A 35 0.723 -15.768 -6.661 1.00 0.00 C ATOM 539 CD GLN A 35 1.841 -16.140 -5.706 1.00 0.00 C ATOM 540 OE1 GLN A 35 3.017 -16.148 -6.078 1.00 0.00 O ATOM 541 NE2 GLN A 35 1.479 -16.455 -4.467 1.00 0.00 N ATOM 0 H GLN A 35 -0.817 -13.001 -6.619 1.00 0.00 H new ATOM 0 HA GLN A 35 2.018 -13.426 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.276 -14.409 -8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.981 -14.771 -8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.183 -15.561 -6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.505 -16.617 -7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.494 -16.435 -4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.186 -16.717 -3.780 1.00 0.00 H new ATOM 550 N LEU A 36 2.201 -11.058 -7.064 1.00 0.00 N ATOM 551 CA LEU A 36 2.672 -9.916 -7.839 1.00 0.00 C ATOM 552 C LEU A 36 4.193 -9.839 -7.840 1.00 0.00 C ATOM 553 O LEU A 36 4.849 -10.330 -6.920 1.00 0.00 O ATOM 554 CB LEU A 36 2.072 -8.617 -7.286 1.00 0.00 C ATOM 555 CG LEU A 36 0.540 -8.550 -7.294 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.071 -7.242 -6.671 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.033 -8.679 -8.723 1.00 0.00 C ATOM 0 H LEU A 36 2.256 -10.933 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 36 2.343 -10.048 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.420 -8.482 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.459 -7.780 -7.867 1.00 0.00 H new ATOM 0 HG LEU A 36 0.137 -9.373 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.018 -7.204 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.426 -7.181 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.469 -6.403 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.056 -8.631 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.435 -7.865 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.356 -9.633 -9.139 1.00 0.00 H new ATOM 569 N THR A 37 4.749 -9.222 -8.876 1.00 0.00 N ATOM 570 CA THR A 37 6.195 -9.184 -9.061 1.00 0.00 C ATOM 571 C THR A 37 6.810 -7.986 -8.350 1.00 0.00 C ATOM 572 O THR A 37 6.098 -7.109 -7.860 1.00 0.00 O ATOM 573 CB THR A 37 6.574 -9.133 -10.552 1.00 0.00 C ATOM 574 OG1 THR A 37 6.154 -7.881 -11.112 1.00 0.00 O ATOM 575 CG2 THR A 37 5.909 -10.271 -11.311 1.00 0.00 C ATOM 0 H THR A 37 4.219 -8.740 -9.602 1.00 0.00 H new ATOM 0 HA THR A 37 6.590 -10.103 -8.627 1.00 0.00 H new ATOM 0 HB THR A 37 7.656 -9.234 -10.640 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.397 -7.849 -12.061 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.188 -10.219 -12.363 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.235 -11.225 -10.896 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.826 -10.186 -11.219 1.00 0.00 H new ATOM 583 N ASP A 38 8.137 -7.953 -8.295 1.00 0.00 N ATOM 584 CA ASP A 38 8.854 -6.803 -7.759 1.00 0.00 C ATOM 585 C ASP A 38 8.643 -5.568 -8.625 1.00 0.00 C ATOM 586 O ASP A 38 8.648 -4.442 -8.130 1.00 0.00 O ATOM 587 CB ASP A 38 10.350 -7.111 -7.638 1.00 0.00 C ATOM 588 CG ASP A 38 10.706 -8.066 -6.508 1.00 0.00 C ATOM 589 OD1 ASP A 38 9.863 -8.313 -5.677 1.00 0.00 O ATOM 590 OD2 ASP A 38 11.755 -8.662 -6.568 1.00 0.00 O ATOM 0 H ASP A 38 8.739 -8.712 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 38 8.454 -6.596 -6.767 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.698 -7.536 -8.580 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.890 -6.176 -7.491 1.00 0.00 H new ATOM 595 N GLU A 39 8.455 -5.788 -9.922 1.00 0.00 N ATOM 596 CA GLU A 39 8.119 -4.707 -10.841 1.00 0.00 C ATOM 597 C GLU A 39 6.715 -4.176 -10.577 1.00 0.00 C ATOM 598 O GLU A 39 6.458 -2.979 -10.708 1.00 0.00 O ATOM 599 CB GLU A 39 8.238 -5.179 -12.292 1.00 0.00 C ATOM 600 CG GLU A 39 9.665 -5.433 -12.755 1.00 0.00 C ATOM 601 CD GLU A 39 9.695 -5.987 -14.152 1.00 0.00 C ATOM 602 OE1 GLU A 39 8.646 -6.221 -14.702 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.762 -6.071 -14.713 1.00 0.00 O ATOM 0 H GLU A 39 8.530 -6.706 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 39 8.828 -3.896 -10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.661 -6.096 -12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.785 -4.431 -12.943 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.233 -4.503 -12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.152 -6.131 -12.074 1.00 0.00 H new ATOM 610 N ASP A 40 5.810 -5.073 -10.203 1.00 0.00 N ATOM 611 CA ASP A 40 4.464 -4.681 -9.800 1.00 0.00 C ATOM 612 C ASP A 40 4.495 -3.815 -8.547 1.00 0.00 C ATOM 613 O ASP A 40 3.725 -2.863 -8.421 1.00 0.00 O ATOM 614 CB ASP A 40 3.594 -5.919 -9.561 1.00 0.00 C ATOM 615 CG ASP A 40 3.222 -6.678 -10.828 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.345 -6.119 -11.891 1.00 0.00 O ATOM 617 OD2 ASP A 40 2.969 -7.856 -10.737 1.00 0.00 O ATOM 0 H ASP A 40 5.984 -6.078 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 40 4.031 -4.094 -10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.122 -6.595 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.679 -5.613 -9.053 1.00 0.00 H new ATOM 622 N VAL A 41 5.388 -4.150 -7.624 1.00 0.00 N ATOM 623 CA VAL A 41 5.547 -3.381 -6.395 1.00 0.00 C ATOM 624 C VAL A 41 5.871 -1.924 -6.696 1.00 0.00 C ATOM 625 O VAL A 41 5.189 -1.015 -6.221 1.00 0.00 O ATOM 626 CB VAL A 41 6.652 -3.968 -5.498 1.00 0.00 C ATOM 627 CG1 VAL A 41 6.955 -3.029 -4.341 1.00 0.00 C ATOM 628 CG2 VAL A 41 6.244 -5.338 -4.977 1.00 0.00 C ATOM 0 H VAL A 41 6.015 -4.951 -7.703 1.00 0.00 H new ATOM 0 HA VAL A 41 4.596 -3.437 -5.865 1.00 0.00 H new ATOM 0 HB VAL A 41 7.556 -4.081 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.738 -3.460 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.290 -2.068 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.055 -2.885 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.037 -5.738 -4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.327 -5.248 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.076 -6.011 -5.817 1.00 0.00 H new ATOM 638 N ASP A 42 6.916 -1.707 -7.487 1.00 0.00 N ATOM 639 CA ASP A 42 7.377 -0.358 -7.796 1.00 0.00 C ATOM 640 C ASP A 42 6.383 0.371 -8.693 1.00 0.00 C ATOM 641 O ASP A 42 6.122 1.559 -8.508 1.00 0.00 O ATOM 642 CB ASP A 42 8.754 -0.401 -8.463 1.00 0.00 C ATOM 643 CG ASP A 42 9.370 0.967 -8.721 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.580 1.690 -7.776 1.00 0.00 O ATOM 645 OD2 ASP A 42 9.769 1.216 -9.833 1.00 0.00 O ATOM 0 H ASP A 42 7.461 -2.449 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 42 7.456 0.190 -6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.431 -0.978 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.669 -0.932 -9.411 1.00 0.00 H new ATOM 650 N GLU A 43 5.834 -0.348 -9.666 1.00 0.00 N ATOM 651 CA GLU A 43 4.895 0.237 -10.615 1.00 0.00 C ATOM 652 C GLU A 43 3.631 0.718 -9.912 1.00 0.00 C ATOM 653 O GLU A 43 3.197 1.853 -10.104 1.00 0.00 O ATOM 654 CB GLU A 43 4.537 -0.772 -11.707 1.00 0.00 C ATOM 655 CG GLU A 43 3.595 -0.235 -12.776 1.00 0.00 C ATOM 656 CD GLU A 43 3.332 -1.265 -13.839 1.00 0.00 C ATOM 657 OE1 GLU A 43 3.869 -2.341 -13.743 1.00 0.00 O ATOM 658 OE2 GLU A 43 2.506 -1.017 -14.686 1.00 0.00 O ATOM 0 H GLU A 43 6.024 -1.339 -9.818 1.00 0.00 H new ATOM 0 HA GLU A 43 5.379 1.098 -11.075 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.455 -1.111 -12.186 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.079 -1.645 -11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.653 0.065 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.027 0.657 -13.230 1.00 0.00 H new ATOM 665 N ILE A 44 3.046 -0.152 -9.097 1.00 0.00 N ATOM 666 CA ILE A 44 1.840 0.188 -8.350 1.00 0.00 C ATOM 667 C ILE A 44 2.114 1.291 -7.336 1.00 0.00 C ATOM 668 O ILE A 44 1.294 2.190 -7.148 1.00 0.00 O ATOM 669 CB ILE A 44 1.263 -1.039 -7.620 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.740 -2.064 -8.629 1.00 0.00 C ATOM 671 CG2 ILE A 44 0.159 -0.617 -6.662 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.414 -3.409 -8.018 1.00 0.00 C ATOM 0 H ILE A 44 3.388 -1.100 -8.936 1.00 0.00 H new ATOM 0 HA ILE A 44 1.109 0.542 -9.077 1.00 0.00 H new ATOM 0 HB ILE A 44 2.060 -1.504 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.155 -1.666 -9.107 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.485 -2.202 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.238 -1.496 -6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.563 0.077 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.640 -0.129 -7.220 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.049 -4.082 -8.794 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.311 -3.830 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.354 -3.285 -7.255 1.00 0.00 H new ATOM 684 N PHE A 45 3.268 1.215 -6.684 1.00 0.00 N ATOM 685 CA PHE A 45 3.690 2.251 -5.749 1.00 0.00 C ATOM 686 C PHE A 45 3.688 3.624 -6.411 1.00 0.00 C ATOM 687 O PHE A 45 3.101 4.573 -5.892 1.00 0.00 O ATOM 688 CB PHE A 45 5.081 1.938 -5.194 1.00 0.00 C ATOM 689 CG PHE A 45 5.631 3.008 -4.296 1.00 0.00 C ATOM 690 CD1 PHE A 45 5.230 3.096 -2.971 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.549 3.930 -4.773 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.735 4.081 -2.143 1.00 0.00 C ATOM 693 CE2 PHE A 45 7.056 4.916 -3.948 1.00 0.00 C ATOM 694 CZ PHE A 45 6.648 4.990 -2.631 1.00 0.00 C ATOM 0 H PHE A 45 3.929 0.445 -6.786 1.00 0.00 H new ATOM 0 HA PHE A 45 2.976 2.268 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.038 1.000 -4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.768 1.787 -6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.515 2.387 -2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.872 3.877 -5.802 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.414 4.138 -1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.771 5.628 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.044 5.759 -1.984 1.00 0.00 H new ATOM 704 N GLY A 46 4.348 3.721 -7.561 1.00 0.00 N ATOM 705 CA GLY A 46 4.449 4.986 -8.279 1.00 0.00 C ATOM 706 C GLY A 46 3.085 5.447 -8.778 1.00 0.00 C ATOM 707 O GLY A 46 2.781 6.640 -8.768 1.00 0.00 O ATOM 0 H GLY A 46 4.820 2.939 -8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.875 5.746 -7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.129 4.875 -9.123 1.00 0.00 H new ATOM 711 N ASP A 47 2.268 4.495 -9.216 1.00 0.00 N ATOM 712 CA ASP A 47 0.941 4.804 -9.733 1.00 0.00 C ATOM 713 C ASP A 47 0.009 5.268 -8.622 1.00 0.00 C ATOM 714 O ASP A 47 -0.845 6.128 -8.834 1.00 0.00 O ATOM 715 CB ASP A 47 0.346 3.585 -10.443 1.00 0.00 C ATOM 716 CG ASP A 47 0.962 3.286 -11.804 1.00 0.00 C ATOM 717 OD1 ASP A 47 1.666 4.126 -12.313 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.853 2.169 -12.250 1.00 0.00 O ATOM 0 H ASP A 47 2.502 3.502 -9.223 1.00 0.00 H new ATOM 0 HA ASP A 47 1.045 5.618 -10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.468 2.711 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.725 3.740 -10.569 1.00 0.00 H new ATOM 723 N SER A 48 0.179 4.694 -7.436 1.00 0.00 N ATOM 724 CA SER A 48 -0.656 5.038 -6.291 1.00 0.00 C ATOM 725 C SER A 48 -0.425 6.480 -5.856 1.00 0.00 C ATOM 726 O SER A 48 -1.367 7.190 -5.503 1.00 0.00 O ATOM 727 CB SER A 48 -0.381 4.090 -5.141 1.00 0.00 C ATOM 728 OG SER A 48 -0.788 2.780 -5.430 1.00 0.00 O ATOM 0 H SER A 48 0.889 3.987 -7.242 1.00 0.00 H new ATOM 0 HA SER A 48 -1.700 4.940 -6.590 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.685 4.096 -4.913 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.900 4.442 -4.249 1.00 0.00 H new ATOM 0 HG SER A 48 -0.146 2.366 -6.043 1.00 0.00 H new ATOM 734 N ASP A 49 0.832 6.908 -5.883 1.00 0.00 N ATOM 735 CA ASP A 49 1.186 8.271 -5.507 1.00 0.00 C ATOM 736 C ASP A 49 0.755 9.267 -6.574 1.00 0.00 C ATOM 737 O ASP A 49 1.260 9.246 -7.697 1.00 0.00 O ATOM 738 CB ASP A 49 2.693 8.385 -5.260 1.00 0.00 C ATOM 739 CG ASP A 49 3.144 9.744 -4.738 1.00 0.00 C ATOM 740 OD1 ASP A 49 2.345 10.650 -4.732 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.225 9.824 -4.207 1.00 0.00 O ATOM 0 H ASP A 49 1.624 6.329 -6.162 1.00 0.00 H new ATOM 0 HA ASP A 49 0.656 8.509 -4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.991 7.618 -4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.219 8.174 -6.191 1.00 0.00 H new ATOM 746 N THR A 50 -0.182 10.140 -6.219 1.00 0.00 N ATOM 747 CA THR A 50 -0.713 11.120 -7.159 1.00 0.00 C ATOM 748 C THR A 50 0.017 12.451 -7.039 1.00 0.00 C ATOM 749 O THR A 50 -0.155 13.342 -7.871 1.00 0.00 O ATOM 750 CB THR A 50 -2.220 11.352 -6.942 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.440 11.886 -5.630 1.00 0.00 O ATOM 752 CG2 THR A 50 -2.987 10.047 -7.090 1.00 0.00 C ATOM 0 H THR A 50 -0.590 10.189 -5.285 1.00 0.00 H new ATOM 0 HA THR A 50 -0.557 10.713 -8.158 1.00 0.00 H new ATOM 0 HB THR A 50 -2.576 12.058 -7.693 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.125 11.245 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.050 10.230 -6.933 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.832 9.645 -8.091 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.630 9.329 -6.352 1.00 0.00 H new ATOM 760 N ASP A 51 0.836 12.580 -6.001 1.00 0.00 N ATOM 761 CA ASP A 51 1.584 13.807 -5.763 1.00 0.00 C ATOM 762 C ASP A 51 3.024 13.676 -6.242 1.00 0.00 C ATOM 763 O ASP A 51 3.745 14.669 -6.350 1.00 0.00 O ATOM 764 CB ASP A 51 1.556 14.173 -4.276 1.00 0.00 C ATOM 765 CG ASP A 51 0.169 14.483 -3.731 1.00 0.00 C ATOM 766 OD1 ASP A 51 -0.533 15.250 -4.345 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.237 13.835 -2.795 1.00 0.00 O ATOM 0 H ASP A 51 0.998 11.847 -5.310 1.00 0.00 H new ATOM 0 HA ASP A 51 1.106 14.604 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.982 13.349 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.198 15.039 -4.115 1.00 0.00 H new ATOM 772 N LYS A 52 3.437 12.447 -6.530 1.00 0.00 N ATOM 773 CA LYS A 52 4.790 12.184 -7.003 1.00 0.00 C ATOM 774 C LYS A 52 5.828 12.635 -5.981 1.00 0.00 C ATOM 775 O LYS A 52 6.806 13.297 -6.326 1.00 0.00 O ATOM 776 CB LYS A 52 5.036 12.882 -8.342 1.00 0.00 C ATOM 777 CG LYS A 52 4.121 12.418 -9.468 1.00 0.00 C ATOM 778 CD LYS A 52 4.431 13.146 -10.768 1.00 0.00 C ATOM 779 CE LYS A 52 3.490 12.715 -11.883 1.00 0.00 C ATOM 780 NZ LYS A 52 3.726 13.480 -13.137 1.00 0.00 N ATOM 0 H LYS A 52 2.852 11.616 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 52 4.890 11.107 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.910 13.956 -8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.072 12.717 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.236 11.344 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.082 12.592 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.346 14.222 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.461 12.946 -11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.621 11.651 -12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.458 12.855 -11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.065 13.156 -13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.576 14.494 -12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.703 13.326 -13.459 1.00 0.00 H new ATOM 794 N ASN A 53 5.608 12.270 -4.722 1.00 0.00 N ATOM 795 CA ASN A 53 6.526 12.630 -3.649 1.00 0.00 C ATOM 796 C ASN A 53 7.247 11.403 -3.106 1.00 0.00 C ATOM 797 O ASN A 53 8.174 11.520 -2.305 1.00 0.00 O ATOM 798 CB ASN A 53 5.810 13.357 -2.525 1.00 0.00 C ATOM 799 CG ASN A 53 5.291 14.713 -2.915 1.00 0.00 C ATOM 800 OD1 ASN A 53 5.868 15.399 -3.766 1.00 0.00 O ATOM 801 ND2 ASN A 53 4.252 15.135 -2.241 1.00 0.00 N ATOM 0 H ASN A 53 4.801 11.724 -4.420 1.00 0.00 H new ATOM 0 HA ASN A 53 7.267 13.307 -4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.977 12.744 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.493 13.468 -1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.882 16.071 -2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.812 14.528 -1.549 1.00 0.00 H new ATOM 808 N GLY A 54 6.817 10.226 -3.549 1.00 0.00 N ATOM 809 CA GLY A 54 7.386 8.973 -3.069 1.00 0.00 C ATOM 810 C GLY A 54 6.666 8.482 -1.820 1.00 0.00 C ATOM 811 O GLY A 54 7.296 8.012 -0.873 1.00 0.00 O ATOM 0 H GLY A 54 6.075 10.114 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.319 8.217 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.445 9.112 -2.850 1.00 0.00 H new ATOM 815 N ARG A 55 5.342 8.595 -1.824 1.00 0.00 N ATOM 816 CA ARG A 55 4.536 8.202 -0.674 1.00 0.00 C ATOM 817 C ARG A 55 3.169 7.691 -1.109 1.00 0.00 C ATOM 818 O ARG A 55 2.695 8.009 -2.201 1.00 0.00 O ATOM 819 CB ARG A 55 4.413 9.321 0.350 1.00 0.00 C ATOM 820 CG ARG A 55 3.648 10.544 -0.128 1.00 0.00 C ATOM 821 CD ARG A 55 3.563 11.641 0.869 1.00 0.00 C ATOM 822 NE ARG A 55 2.850 12.821 0.408 1.00 0.00 N ATOM 823 CZ ARG A 55 1.534 13.043 0.598 1.00 0.00 C ATOM 824 NH1 ARG A 55 0.779 12.154 1.204 1.00 0.00 N ATOM 825 NH2 ARG A 55 1.018 14.168 0.137 1.00 0.00 N ATOM 0 H ARG A 55 4.804 8.956 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 55 5.058 7.381 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.921 8.927 1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.414 9.631 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.124 10.926 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.638 10.241 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.072 11.263 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.573 11.932 1.157 1.00 0.00 H new ATOM 0 HE ARG A 55 3.383 13.531 -0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.187 11.281 1.538 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.215 12.337 1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.612 14.841 -0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.025 14.364 0.266 1.00 0.00 H new ATOM 839 N ILE A 56 2.537 6.899 -0.249 1.00 0.00 N ATOM 840 CA ILE A 56 1.154 6.487 -0.460 1.00 0.00 C ATOM 841 C ILE A 56 0.268 6.918 0.702 1.00 0.00 C ATOM 842 O ILE A 56 0.345 6.358 1.795 1.00 0.00 O ATOM 843 CB ILE A 56 1.042 4.962 -0.642 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.830 4.511 -1.874 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.418 4.548 -0.759 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.879 3.011 -2.053 1.00 0.00 C ATOM 0 H ILE A 56 2.961 6.529 0.602 1.00 0.00 H new ATOM 0 HA ILE A 56 0.814 6.978 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 56 1.469 4.475 0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.385 4.959 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.849 4.892 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.481 3.467 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.952 4.838 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.868 5.042 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.455 2.770 -2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.352 2.556 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.866 2.624 -2.159 1.00 0.00 H new ATOM 858 N ASP A 57 -0.573 7.917 0.458 1.00 0.00 N ATOM 859 CA ASP A 57 -1.403 8.493 1.509 1.00 0.00 C ATOM 860 C ASP A 57 -2.581 7.586 1.840 1.00 0.00 C ATOM 861 O ASP A 57 -2.750 6.527 1.236 1.00 0.00 O ATOM 862 CB ASP A 57 -1.906 9.878 1.097 1.00 0.00 C ATOM 863 CG ASP A 57 -2.078 10.855 2.253 1.00 0.00 C ATOM 864 OD1 ASP A 57 -2.155 10.411 3.374 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.974 12.037 2.025 1.00 0.00 O ATOM 0 H ASP A 57 -0.698 8.345 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.787 8.592 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.208 10.305 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.862 9.767 0.586 1.00 0.00 H new ATOM 870 N PHE A 58 -3.394 8.007 2.804 1.00 0.00 N ATOM 871 CA PHE A 58 -4.574 7.247 3.197 1.00 0.00 C ATOM 872 C PHE A 58 -5.575 7.153 2.052 1.00 0.00 C ATOM 873 O PHE A 58 -6.034 6.064 1.705 1.00 0.00 O ATOM 874 CB PHE A 58 -5.235 7.883 4.422 1.00 0.00 C ATOM 875 CG PHE A 58 -6.542 7.248 4.803 1.00 0.00 C ATOM 876 CD1 PHE A 58 -6.572 6.009 5.427 1.00 0.00 C ATOM 877 CD2 PHE A 58 -7.743 7.887 4.537 1.00 0.00 C ATOM 878 CE1 PHE A 58 -7.774 5.424 5.778 1.00 0.00 C ATOM 879 CE2 PHE A 58 -8.947 7.305 4.888 1.00 0.00 C ATOM 880 CZ PHE A 58 -8.962 6.072 5.508 1.00 0.00 C ATOM 0 H PHE A 58 -3.256 8.872 3.328 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.252 6.237 3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.550 7.818 5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.400 8.942 4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.646 5.496 5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.738 8.851 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.783 4.459 6.264 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.875 7.815 4.677 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.902 5.615 5.781 1.00 0.00 H new ATOM 890 N ASP A 59 -5.908 8.299 1.468 1.00 0.00 N ATOM 891 CA ASP A 59 -6.831 8.344 0.341 1.00 0.00 C ATOM 892 C ASP A 59 -6.303 7.535 -0.837 1.00 0.00 C ATOM 893 O ASP A 59 -7.060 6.844 -1.518 1.00 0.00 O ATOM 894 CB ASP A 59 -7.085 9.791 -0.088 1.00 0.00 C ATOM 895 CG ASP A 59 -7.957 10.588 0.872 1.00 0.00 C ATOM 896 OD1 ASP A 59 -8.557 9.991 1.734 1.00 0.00 O ATOM 897 OD2 ASP A 59 -7.895 11.794 0.839 1.00 0.00 O ATOM 0 H ASP A 59 -5.552 9.210 1.757 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.772 7.900 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.126 10.299 -0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.556 9.788 -1.071 1.00 0.00 H new ATOM 902 N GLU A 60 -4.998 7.623 -1.072 1.00 0.00 N ATOM 903 CA GLU A 60 -4.353 6.839 -2.117 1.00 0.00 C ATOM 904 C GLU A 60 -4.307 5.362 -1.749 1.00 0.00 C ATOM 905 O GLU A 60 -4.398 4.493 -2.616 1.00 0.00 O ATOM 906 CB GLU A 60 -2.937 7.359 -2.380 1.00 0.00 C ATOM 907 CG GLU A 60 -2.883 8.747 -3.001 1.00 0.00 C ATOM 908 CD GLU A 60 -1.498 9.327 -2.924 1.00 0.00 C ATOM 909 OE1 GLU A 60 -0.647 8.706 -2.332 1.00 0.00 O ATOM 910 OE2 GLU A 60 -1.261 10.333 -3.549 1.00 0.00 O ATOM 0 H GLU A 60 -4.366 8.231 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.945 6.945 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.388 7.374 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.422 6.659 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.200 8.694 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.584 9.405 -2.487 1.00 0.00 H new ATOM 917 N PHE A 61 -4.166 5.083 -0.457 1.00 0.00 N ATOM 918 CA PHE A 61 -4.200 3.712 0.039 1.00 0.00 C ATOM 919 C PHE A 61 -5.557 3.069 -0.214 1.00 0.00 C ATOM 920 O PHE A 61 -5.638 1.912 -0.627 1.00 0.00 O ATOM 921 CB PHE A 61 -3.872 3.677 1.534 1.00 0.00 C ATOM 922 CG PHE A 61 -4.021 2.318 2.155 1.00 0.00 C ATOM 923 CD1 PHE A 61 -3.042 1.351 1.985 1.00 0.00 C ATOM 924 CD2 PHE A 61 -5.142 2.003 2.908 1.00 0.00 C ATOM 925 CE1 PHE A 61 -3.179 0.100 2.556 1.00 0.00 C ATOM 926 CE2 PHE A 61 -5.281 0.754 3.481 1.00 0.00 C ATOM 927 CZ PHE A 61 -4.298 -0.200 3.305 1.00 0.00 C ATOM 0 H PHE A 61 -4.027 5.789 0.266 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.446 3.141 -0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.849 4.023 1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.523 4.378 2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.163 1.578 1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.916 2.743 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.409 -0.644 2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.159 0.523 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.405 -1.177 3.752 1.00 0.00 H new ATOM 937 N LEU A 62 -6.621 3.825 0.035 1.00 0.00 N ATOM 938 CA LEU A 62 -7.976 3.348 -0.219 1.00 0.00 C ATOM 939 C LEU A 62 -8.158 2.959 -1.679 1.00 0.00 C ATOM 940 O LEU A 62 -8.731 1.913 -1.986 1.00 0.00 O ATOM 941 CB LEU A 62 -8.998 4.421 0.179 1.00 0.00 C ATOM 942 CG LEU A 62 -9.571 4.281 1.596 1.00 0.00 C ATOM 943 CD1 LEU A 62 -8.477 3.851 2.563 1.00 0.00 C ATOM 944 CD2 LEU A 62 -10.185 5.605 2.028 1.00 0.00 C ATOM 0 H LEU A 62 -6.571 4.771 0.413 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.141 2.458 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.527 5.400 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.823 4.397 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.347 3.516 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.895 3.755 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.068 2.891 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.684 4.599 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.592 5.506 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.419 6.381 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.984 5.878 1.339 1.00 0.00 H new ATOM 956 N LYS A 63 -7.668 3.806 -2.579 1.00 0.00 N ATOM 957 CA LYS A 63 -7.759 3.542 -4.010 1.00 0.00 C ATOM 958 C LYS A 63 -6.862 2.380 -4.414 1.00 0.00 C ATOM 959 O LYS A 63 -7.207 1.597 -5.299 1.00 0.00 O ATOM 960 CB LYS A 63 -7.392 4.793 -4.809 1.00 0.00 C ATOM 961 CG LYS A 63 -8.395 5.934 -4.689 1.00 0.00 C ATOM 962 CD LYS A 63 -7.931 7.161 -5.459 1.00 0.00 C ATOM 963 CE LYS A 63 -8.896 8.324 -5.281 1.00 0.00 C ATOM 964 NZ LYS A 63 -8.423 9.552 -5.977 1.00 0.00 N ATOM 0 H LYS A 63 -7.203 4.682 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.790 3.269 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.416 5.147 -4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.293 4.522 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.365 5.610 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.532 6.191 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.938 7.454 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.844 6.917 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.876 8.044 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.019 8.534 -4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.109 10.320 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.499 9.835 -5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.330 9.360 -6.995 1.00 0.00 H new ATOM 978 N MET A 64 -5.710 2.275 -3.761 1.00 0.00 N ATOM 979 CA MET A 64 -4.757 1.210 -4.057 1.00 0.00 C ATOM 980 C MET A 64 -5.333 -0.156 -3.712 1.00 0.00 C ATOM 981 O MET A 64 -5.249 -1.094 -4.505 1.00 0.00 O ATOM 982 CB MET A 64 -3.454 1.443 -3.295 1.00 0.00 C ATOM 983 CG MET A 64 -2.386 0.386 -3.537 1.00 0.00 C ATOM 984 SD MET A 64 -0.882 0.686 -2.586 1.00 0.00 S ATOM 985 CE MET A 64 -1.433 0.253 -0.939 1.00 0.00 C ATOM 0 H MET A 64 -5.413 2.914 -3.023 1.00 0.00 H new ATOM 0 HA MET A 64 -4.551 1.227 -5.127 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.053 2.417 -3.574 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.673 1.483 -2.228 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.786 -0.594 -3.278 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.141 0.360 -4.599 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.594 0.318 -0.246 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.218 0.941 -0.625 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.823 -0.765 -0.942 1.00 0.00 H new ATOM 995 N MET A 65 -5.917 -0.264 -2.523 1.00 0.00 N ATOM 996 CA MET A 65 -6.448 -1.534 -2.041 1.00 0.00 C ATOM 997 C MET A 65 -7.631 -1.992 -2.884 1.00 0.00 C ATOM 998 O MET A 65 -7.873 -3.189 -3.034 1.00 0.00 O ATOM 999 CB MET A 65 -6.858 -1.412 -0.575 1.00 0.00 C ATOM 1000 CG MET A 65 -5.695 -1.239 0.392 1.00 0.00 C ATOM 1001 SD MET A 65 -4.509 -2.596 0.302 1.00 0.00 S ATOM 1002 CE MET A 65 -5.478 -3.939 0.982 1.00 0.00 C ATOM 0 H MET A 65 -6.035 0.514 -1.874 1.00 0.00 H new ATOM 0 HA MET A 65 -5.662 -2.284 -2.129 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.532 -0.562 -0.469 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.420 -2.302 -0.292 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.185 -0.300 0.176 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.081 -1.165 1.409 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.827 -4.788 1.191 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.956 -3.612 1.905 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.242 -4.236 0.264 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.367 -1.030 -3.433 1.00 0.00 N ATOM 1013 CA GLU A 66 -9.450 -1.331 -4.361 1.00 0.00 C ATOM 1014 C GLU A 66 -8.918 -1.952 -5.646 1.00 0.00 C ATOM 1015 O GLU A 66 -9.640 -2.657 -6.352 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.249 -0.065 -4.680 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.150 0.411 -3.549 1.00 0.00 C ATOM 1018 CD GLU A 66 -11.821 1.711 -3.896 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.538 2.243 -4.943 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -12.698 2.116 -3.170 1.00 0.00 O ATOM 0 H GLU A 66 -8.232 -0.036 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.109 -2.054 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.553 0.734 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.861 -0.249 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.906 -0.346 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.562 0.534 -2.640 1.00 0.00 H new