USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=12 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+ -169:sc= 0 (180deg=-0.132) 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 78:sc= 0.932 USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= 1.13 (180deg=0.8) USER MOD Single : A 17 ASN : amide:sc= -0.0166 K(o=-0.017,f=-1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.21) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.433 USER MOD Single : A 48 SER OG : rot -21:sc= 0.819 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.02 K(o=-0.02,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0.919 (180deg=0.914) USER MOD Single : A 64 MET CE :methyl -145:sc= -0.0392 (180deg=-0.547) USER MOD Single : A 65 MET CE :methyl -170:sc= -0.0532 (180deg=-0.271) USER MOD Single : A 67 ASN : amide:sc= -0.0181 K(o=-0.018,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.840 -0.245 6.024 1.00 0.00 N ATOM 2 CA SER A 1 -14.547 -0.837 5.703 1.00 0.00 C ATOM 3 C SER A 1 -13.408 0.122 6.020 1.00 0.00 C ATOM 4 O SER A 1 -12.362 -0.285 6.523 1.00 0.00 O ATOM 5 CB SER A 1 -14.506 -1.241 4.242 1.00 0.00 C ATOM 6 OG SER A 1 -15.500 -2.177 3.926 1.00 0.00 O ATOM 0 H1 SER A 1 -16.578 -0.976 5.976 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.810 0.155 6.984 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.056 0.509 5.341 1.00 0.00 H new ATOM 0 HA SER A 1 -14.418 -1.726 6.321 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.630 -0.356 3.618 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.527 -1.660 4.009 1.00 0.00 H new ATOM 0 HG SER A 1 -15.440 -2.409 2.976 1.00 0.00 H new ATOM 14 N GLU A 2 -13.618 1.400 5.724 1.00 0.00 N ATOM 15 CA GLU A 2 -12.568 2.402 5.866 1.00 0.00 C ATOM 16 C GLU A 2 -12.117 2.525 7.316 1.00 0.00 C ATOM 17 O GLU A 2 -10.958 2.830 7.592 1.00 0.00 O ATOM 18 CB GLU A 2 -13.049 3.760 5.349 1.00 0.00 C ATOM 19 CG GLU A 2 -13.236 3.827 3.840 1.00 0.00 C ATOM 20 CD GLU A 2 -13.803 5.154 3.419 1.00 0.00 C ATOM 21 OE1 GLU A 2 -14.095 5.953 4.276 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.839 5.414 2.239 1.00 0.00 O ATOM 0 H GLU A 2 -14.507 1.767 5.384 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.715 2.078 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.995 4.005 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.332 4.524 5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.279 3.665 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.901 3.026 3.518 1.00 0.00 H new ATOM 29 N GLU A 3 -13.041 2.286 8.240 1.00 0.00 N ATOM 30 CA GLU A 3 -12.727 2.312 9.664 1.00 0.00 C ATOM 31 C GLU A 3 -11.696 1.249 10.021 1.00 0.00 C ATOM 32 O GLU A 3 -10.746 1.516 10.757 1.00 0.00 O ATOM 33 CB GLU A 3 -13.996 2.115 10.497 1.00 0.00 C ATOM 34 CG GLU A 3 -13.775 2.169 12.001 1.00 0.00 C ATOM 35 CD GLU A 3 -15.067 2.000 12.750 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.085 1.862 12.116 1.00 0.00 O ATOM 37 OE2 GLU A 3 -15.025 1.897 13.954 1.00 0.00 O ATOM 0 H GLU A 3 -14.015 2.072 8.028 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.302 3.289 9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.720 2.882 10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.438 1.152 10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.076 1.386 12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.319 3.122 12.270 1.00 0.00 H new ATOM 44 N GLU A 4 -11.890 0.045 9.495 1.00 0.00 N ATOM 45 CA GLU A 4 -10.951 -1.048 9.718 1.00 0.00 C ATOM 46 C GLU A 4 -9.668 -0.843 8.923 1.00 0.00 C ATOM 47 O GLU A 4 -8.586 -1.232 9.363 1.00 0.00 O ATOM 48 CB GLU A 4 -11.591 -2.388 9.347 1.00 0.00 C ATOM 49 CG GLU A 4 -12.718 -2.824 10.273 1.00 0.00 C ATOM 50 CD GLU A 4 -13.351 -4.103 9.799 1.00 0.00 C ATOM 51 OE1 GLU A 4 -12.953 -4.594 8.770 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.152 -4.648 10.520 1.00 0.00 O ATOM 0 H GLU A 4 -12.690 -0.199 8.911 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.697 -1.058 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.977 -2.323 8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.819 -3.158 9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.330 -2.960 11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.473 -2.040 10.325 1.00 0.00 H new ATOM 59 N LEU A 5 -9.795 -0.231 7.752 1.00 0.00 N ATOM 60 CA LEU A 5 -8.646 0.019 6.889 1.00 0.00 C ATOM 61 C LEU A 5 -7.796 1.164 7.423 1.00 0.00 C ATOM 62 O LEU A 5 -6.617 1.282 7.088 1.00 0.00 O ATOM 63 CB LEU A 5 -9.113 0.321 5.460 1.00 0.00 C ATOM 64 CG LEU A 5 -9.754 -0.859 4.718 1.00 0.00 C ATOM 65 CD1 LEU A 5 -10.256 -0.408 3.353 1.00 0.00 C ATOM 66 CD2 LEU A 5 -8.738 -1.982 4.574 1.00 0.00 C ATOM 0 H LEU A 5 -10.683 0.102 7.377 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.029 -0.879 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.831 1.140 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.258 0.671 4.882 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.606 -1.227 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.709 -1.253 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.998 0.380 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.420 -0.028 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.194 -2.820 4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.877 -1.624 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.414 -2.308 5.562 1.00 0.00 H new ATOM 78 N SER A 6 -8.401 2.006 8.253 1.00 0.00 N ATOM 79 CA SER A 6 -7.656 3.019 8.993 1.00 0.00 C ATOM 80 C SER A 6 -6.697 2.381 9.989 1.00 0.00 C ATOM 81 O SER A 6 -5.564 2.834 10.152 1.00 0.00 O ATOM 82 CB SER A 6 -8.614 3.953 9.705 1.00 0.00 C ATOM 83 OG SER A 6 -7.941 4.949 10.426 1.00 0.00 O ATOM 0 H SER A 6 -9.405 2.008 8.431 1.00 0.00 H new ATOM 0 HA SER A 6 -7.064 3.593 8.281 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.275 4.419 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.244 3.378 10.384 1.00 0.00 H new ATOM 0 HG SER A 6 -8.594 5.530 10.869 1.00 0.00 H new ATOM 89 N GLU A 7 -7.159 1.328 10.656 1.00 0.00 N ATOM 90 CA GLU A 7 -6.311 0.564 11.562 1.00 0.00 C ATOM 91 C GLU A 7 -5.209 -0.165 10.804 1.00 0.00 C ATOM 92 O GLU A 7 -4.054 -0.179 11.230 1.00 0.00 O ATOM 93 CB GLU A 7 -7.147 -0.436 12.363 1.00 0.00 C ATOM 94 CG GLU A 7 -8.083 0.201 13.382 1.00 0.00 C ATOM 95 CD GLU A 7 -8.973 -0.828 14.024 1.00 0.00 C ATOM 96 OE1 GLU A 7 -8.909 -1.968 13.632 1.00 0.00 O ATOM 97 OE2 GLU A 7 -9.635 -0.498 14.979 1.00 0.00 O ATOM 0 H GLU A 7 -8.117 0.985 10.585 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.843 1.267 12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.738 -1.035 11.670 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.475 -1.119 12.882 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.498 0.708 14.149 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.694 0.960 12.893 1.00 0.00 H new ATOM 104 N CYS A 8 -5.574 -0.768 9.678 1.00 0.00 N ATOM 105 CA CYS A 8 -4.608 -1.461 8.834 1.00 0.00 C ATOM 106 C CYS A 8 -3.539 -0.505 8.319 1.00 0.00 C ATOM 107 O CYS A 8 -2.359 -0.848 8.266 1.00 0.00 O ATOM 108 CB CYS A 8 -5.473 -1.972 7.681 1.00 0.00 C ATOM 109 SG CYS A 8 -6.646 -3.269 8.142 1.00 0.00 S ATOM 0 H CYS A 8 -6.532 -0.791 9.329 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.068 -2.249 9.360 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.026 -1.133 7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.821 -2.352 6.895 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.664 -2.737 8.751 1.00 0.00 H new ATOM 115 N PHE A 9 -3.960 0.697 7.942 1.00 0.00 N ATOM 116 CA PHE A 9 -3.032 1.729 7.495 1.00 0.00 C ATOM 117 C PHE A 9 -1.918 1.945 8.511 1.00 0.00 C ATOM 118 O PHE A 9 -0.743 2.020 8.151 1.00 0.00 O ATOM 119 CB PHE A 9 -3.775 3.043 7.241 1.00 0.00 C ATOM 120 CG PHE A 9 -2.886 4.161 6.778 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.490 4.248 5.452 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.444 5.129 7.667 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.672 5.277 5.024 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.627 6.159 7.243 1.00 0.00 C ATOM 125 CZ PHE A 9 -1.241 6.233 5.919 1.00 0.00 C ATOM 0 H PHE A 9 -4.940 0.981 7.937 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.581 1.391 6.562 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.549 2.873 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.279 3.348 8.158 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.825 3.503 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.742 5.077 8.704 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.371 5.332 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.290 6.906 7.946 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.603 7.038 5.585 1.00 0.00 H new ATOM 135 N ARG A 10 -2.294 2.046 9.782 1.00 0.00 N ATOM 136 CA ARG A 10 -1.323 2.219 10.856 1.00 0.00 C ATOM 137 C ARG A 10 -0.453 0.979 11.016 1.00 0.00 C ATOM 138 O ARG A 10 0.735 1.078 11.323 1.00 0.00 O ATOM 139 CB ARG A 10 -1.984 2.609 12.169 1.00 0.00 C ATOM 140 CG ARG A 10 -2.531 4.026 12.214 1.00 0.00 C ATOM 141 CD ARG A 10 -3.196 4.387 13.493 1.00 0.00 C ATOM 142 NE ARG A 10 -3.679 5.756 13.555 1.00 0.00 N ATOM 143 CZ ARG A 10 -4.362 6.280 14.592 1.00 0.00 C ATOM 144 NH1 ARG A 10 -4.679 5.545 15.634 1.00 0.00 N ATOM 145 NH2 ARG A 10 -4.729 7.548 14.521 1.00 0.00 N ATOM 0 H ARG A 10 -3.265 2.011 10.093 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.674 3.048 10.572 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.799 1.914 12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.259 2.489 12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.713 4.724 12.034 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.244 4.153 11.399 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.036 3.711 13.655 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.494 4.225 14.311 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.488 6.363 12.758 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.408 4.562 15.666 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.196 5.957 16.411 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.494 8.102 13.697 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.247 7.973 15.290 1.00 0.00 H new ATOM 159 N ILE A 11 -1.051 -0.189 10.807 1.00 0.00 N ATOM 160 CA ILE A 11 -0.327 -1.451 10.912 1.00 0.00 C ATOM 161 C ILE A 11 0.751 -1.557 9.841 1.00 0.00 C ATOM 162 O ILE A 11 1.868 -1.998 10.112 1.00 0.00 O ATOM 163 CB ILE A 11 -1.275 -2.658 10.795 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.180 -2.747 12.027 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.481 -3.943 10.619 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.316 -3.734 11.880 1.00 0.00 C ATOM 0 H ILE A 11 -2.037 -0.288 10.564 1.00 0.00 H new ATOM 0 HA ILE A 11 0.141 -1.464 11.896 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.904 -2.521 9.915 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.576 -3.028 12.890 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.593 -1.760 12.235 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.167 -4.786 10.538 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.122 -3.877 9.713 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.172 -4.088 11.480 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.912 -3.741 12.792 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.944 -3.443 11.038 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.912 -4.731 11.704 1.00 0.00 H new ATOM 178 N PHE A 12 0.410 -1.151 8.622 1.00 0.00 N ATOM 179 CA PHE A 12 1.331 -1.247 7.497 1.00 0.00 C ATOM 180 C PHE A 12 2.391 -0.155 7.559 1.00 0.00 C ATOM 181 O PHE A 12 3.487 -0.308 7.019 1.00 0.00 O ATOM 182 CB PHE A 12 0.568 -1.167 6.173 1.00 0.00 C ATOM 183 CG PHE A 12 -0.232 -2.398 5.859 1.00 0.00 C ATOM 184 CD1 PHE A 12 0.397 -3.609 5.612 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.618 -2.348 5.812 1.00 0.00 C ATOM 186 CE1 PHE A 12 -0.338 -4.741 5.323 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.356 -3.480 5.523 1.00 0.00 C ATOM 188 CZ PHE A 12 -1.716 -4.677 5.278 1.00 0.00 C ATOM 0 H PHE A 12 -0.499 -0.752 8.389 1.00 0.00 H new ATOM 0 HA PHE A 12 1.834 -2.212 7.558 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.102 -0.307 6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.278 -0.991 5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.475 -3.667 5.646 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.125 -1.414 6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.165 -5.677 5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.434 -3.427 5.489 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.292 -5.562 5.051 1.00 0.00 H new ATOM 198 N ASP A 13 2.058 0.949 8.218 1.00 0.00 N ATOM 199 CA ASP A 13 3.043 1.975 8.542 1.00 0.00 C ATOM 200 C ASP A 13 3.960 1.520 9.670 1.00 0.00 C ATOM 201 O ASP A 13 3.859 2.002 10.799 1.00 0.00 O ATOM 202 CB ASP A 13 2.348 3.283 8.926 1.00 0.00 C ATOM 203 CG ASP A 13 3.297 4.447 9.183 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.460 4.316 8.887 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.827 5.505 9.526 1.00 0.00 O ATOM 0 H ASP A 13 1.112 1.157 8.539 1.00 0.00 H new ATOM 0 HA ASP A 13 3.652 2.145 7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.658 3.561 8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.750 3.113 9.821 1.00 0.00 H new ATOM 210 N LYS A 14 4.856 0.590 9.358 1.00 0.00 N ATOM 211 CA LYS A 14 5.717 -0.014 10.369 1.00 0.00 C ATOM 212 C LYS A 14 6.827 0.942 10.788 1.00 0.00 C ATOM 213 O LYS A 14 7.328 0.872 11.911 1.00 0.00 O ATOM 214 CB LYS A 14 6.318 -1.320 9.849 1.00 0.00 C ATOM 215 CG LYS A 14 5.317 -2.458 9.700 1.00 0.00 C ATOM 216 CD LYS A 14 5.955 -3.675 9.048 1.00 0.00 C ATOM 217 CE LYS A 14 4.996 -4.856 9.020 1.00 0.00 C ATOM 218 NZ LYS A 14 5.498 -5.961 8.159 1.00 0.00 N ATOM 0 H LYS A 14 5.005 0.238 8.413 1.00 0.00 H new ATOM 0 HA LYS A 14 5.104 -0.230 11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.782 -1.132 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.111 -1.636 10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.926 -2.731 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.470 -2.124 9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.259 -3.427 8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.858 -3.950 9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.847 -5.226 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.024 -4.525 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.033 -6.851 8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.286 -5.749 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.526 -6.056 8.281 1.00 0.00 H new ATOM 232 N ASP A 15 7.207 1.835 9.881 1.00 0.00 N ATOM 233 CA ASP A 15 8.181 2.875 10.190 1.00 0.00 C ATOM 234 C ASP A 15 7.588 3.927 11.118 1.00 0.00 C ATOM 235 O ASP A 15 8.274 4.452 11.995 1.00 0.00 O ATOM 236 CB ASP A 15 8.689 3.534 8.906 1.00 0.00 C ATOM 237 CG ASP A 15 9.651 2.675 8.096 1.00 0.00 C ATOM 238 OD1 ASP A 15 10.125 1.694 8.619 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.785 2.915 6.920 1.00 0.00 O ATOM 0 H ASP A 15 6.855 1.859 8.924 1.00 0.00 H new ATOM 0 HA ASP A 15 9.020 2.403 10.701 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.834 3.789 8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.186 4.469 9.164 1.00 0.00 H new ATOM 244 N GLY A 16 6.310 4.231 10.921 1.00 0.00 N ATOM 245 CA GLY A 16 5.624 5.224 11.738 1.00 0.00 C ATOM 246 C GLY A 16 5.833 6.629 11.190 1.00 0.00 C ATOM 247 O GLY A 16 6.011 7.582 11.950 1.00 0.00 O ATOM 0 H GLY A 16 5.728 3.803 10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.558 4.998 11.770 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.992 5.172 12.763 1.00 0.00 H new ATOM 251 N ASN A 17 5.812 6.753 9.867 1.00 0.00 N ATOM 252 CA ASN A 17 6.091 8.024 9.211 1.00 0.00 C ATOM 253 C ASN A 17 4.803 8.767 8.880 1.00 0.00 C ATOM 254 O ASN A 17 4.831 9.937 8.496 1.00 0.00 O ATOM 255 CB ASN A 17 6.924 7.831 7.958 1.00 0.00 C ATOM 256 CG ASN A 17 8.337 7.396 8.231 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.908 7.696 9.285 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.930 6.757 7.254 1.00 0.00 N ATOM 0 H ASN A 17 5.604 5.986 9.227 1.00 0.00 H new ATOM 0 HA ASN A 17 6.667 8.628 9.912 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.441 7.088 7.323 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.943 8.766 7.398 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.909 6.483 7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.413 6.533 6.404 1.00 0.00 H new ATOM 265 N GLY A 18 3.675 8.081 9.029 1.00 0.00 N ATOM 266 CA GLY A 18 2.379 8.654 8.686 1.00 0.00 C ATOM 267 C GLY A 18 1.960 8.266 7.275 1.00 0.00 C ATOM 268 O GLY A 18 0.850 8.572 6.840 1.00 0.00 O ATOM 0 H GLY A 18 3.632 7.126 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.628 8.312 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.426 9.740 8.768 1.00 0.00 H new ATOM 272 N PHE A 19 2.855 7.592 6.561 1.00 0.00 N ATOM 273 CA PHE A 19 2.586 7.173 5.191 1.00 0.00 C ATOM 274 C PHE A 19 3.053 5.744 4.950 1.00 0.00 C ATOM 275 O PHE A 19 3.831 5.194 5.730 1.00 0.00 O ATOM 276 CB PHE A 19 3.263 8.121 4.200 1.00 0.00 C ATOM 277 CG PHE A 19 2.814 9.549 4.323 1.00 0.00 C ATOM 278 CD1 PHE A 19 1.687 9.997 3.653 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.518 10.447 5.112 1.00 0.00 C ATOM 280 CE1 PHE A 19 1.272 11.311 3.764 1.00 0.00 C ATOM 281 CE2 PHE A 19 3.105 11.761 5.227 1.00 0.00 C ATOM 282 CZ PHE A 19 1.983 12.194 4.553 1.00 0.00 C ATOM 0 H PHE A 19 3.775 7.324 6.910 1.00 0.00 H new ATOM 0 HA PHE A 19 1.508 7.209 5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.342 8.075 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.065 7.774 3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.126 9.311 3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.399 10.116 5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.393 11.647 3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.662 12.449 5.846 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.661 13.221 4.642 1.00 0.00 H new ATOM 292 N ILE A 20 2.572 5.144 3.866 1.00 0.00 N ATOM 293 CA ILE A 20 3.021 3.817 3.461 1.00 0.00 C ATOM 294 C ILE A 20 4.237 3.903 2.548 1.00 0.00 C ATOM 295 O ILE A 20 4.191 4.535 1.493 1.00 0.00 O ATOM 296 CB ILE A 20 1.905 3.038 2.743 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.679 2.903 3.650 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.406 1.668 2.312 1.00 0.00 C ATOM 299 CD1 ILE A 20 0.958 2.180 4.949 1.00 0.00 C ATOM 0 H ILE A 20 1.870 5.557 3.251 1.00 0.00 H new ATOM 0 HA ILE A 20 3.292 3.285 4.373 1.00 0.00 H new ATOM 0 HB ILE A 20 1.613 3.593 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.293 3.897 3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.104 2.371 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.604 1.130 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.249 1.786 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.724 1.104 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.042 2.123 5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.315 1.172 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.718 2.722 5.511 1.00 0.00 H new ATOM 311 N ASP A 21 5.326 3.261 2.959 1.00 0.00 N ATOM 312 CA ASP A 21 6.551 3.247 2.169 1.00 0.00 C ATOM 313 C ASP A 21 6.479 2.206 1.060 1.00 0.00 C ATOM 314 O ASP A 21 5.562 1.385 1.023 1.00 0.00 O ATOM 315 CB ASP A 21 7.763 2.979 3.064 1.00 0.00 C ATOM 316 CG ASP A 21 9.077 3.530 2.525 1.00 0.00 C ATOM 317 OD1 ASP A 21 9.077 4.052 1.437 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.031 3.565 3.265 1.00 0.00 O ATOM 0 H ASP A 21 5.385 2.743 3.836 1.00 0.00 H new ATOM 0 HA ASP A 21 6.662 4.229 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.577 3.413 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.865 1.903 3.205 1.00 0.00 H new ATOM 323 N ARG A 22 7.452 2.243 0.156 1.00 0.00 N ATOM 324 CA ARG A 22 7.504 1.299 -0.954 1.00 0.00 C ATOM 325 C ARG A 22 7.662 -0.131 -0.454 1.00 0.00 C ATOM 326 O ARG A 22 6.971 -1.039 -0.916 1.00 0.00 O ATOM 327 CB ARG A 22 8.585 1.659 -1.963 1.00 0.00 C ATOM 328 CG ARG A 22 8.654 0.747 -3.178 1.00 0.00 C ATOM 329 CD ARG A 22 9.731 1.092 -4.142 1.00 0.00 C ATOM 330 NE ARG A 22 11.077 0.991 -3.601 1.00 0.00 N ATOM 331 CZ ARG A 22 11.769 -0.159 -3.479 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.233 -1.310 -3.820 1.00 0.00 N ATOM 333 NH2 ARG A 22 12.992 -0.102 -2.983 1.00 0.00 N ATOM 0 H ARG A 22 8.217 2.918 0.171 1.00 0.00 H new ATOM 0 HA ARG A 22 6.550 1.366 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.419 2.681 -2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.552 1.644 -1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.800 -0.279 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.695 0.778 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.651 0.435 -5.008 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.571 2.110 -4.498 1.00 0.00 H new ATOM 0 HE ARG A 22 11.529 1.851 -3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.280 -1.341 -4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.770 -2.172 -3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.388 0.796 -2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.540 -0.956 -2.879 1.00 0.00 H new ATOM 347 N GLU A 23 8.574 -0.324 0.492 1.00 0.00 N ATOM 348 CA GLU A 23 8.801 -1.638 1.081 1.00 0.00 C ATOM 349 C GLU A 23 7.611 -2.077 1.924 1.00 0.00 C ATOM 350 O GLU A 23 7.295 -3.265 2.000 1.00 0.00 O ATOM 351 CB GLU A 23 10.075 -1.634 1.929 1.00 0.00 C ATOM 352 CG GLU A 23 11.364 -1.517 1.128 1.00 0.00 C ATOM 353 CD GLU A 23 12.560 -1.412 2.032 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.379 -1.367 3.224 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.661 -1.491 1.538 1.00 0.00 O ATOM 0 H GLU A 23 9.169 0.414 0.868 1.00 0.00 H new ATOM 0 HA GLU A 23 8.922 -2.351 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.024 -0.805 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.109 -2.552 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.471 -2.386 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.315 -0.640 0.482 1.00 0.00 H new ATOM 362 N GLU A 24 6.955 -1.112 2.559 1.00 0.00 N ATOM 363 CA GLU A 24 5.765 -1.389 3.354 1.00 0.00 C ATOM 364 C GLU A 24 4.579 -1.742 2.465 1.00 0.00 C ATOM 365 O GLU A 24 3.700 -2.507 2.863 1.00 0.00 O ATOM 366 CB GLU A 24 5.420 -0.189 4.239 1.00 0.00 C ATOM 367 CG GLU A 24 6.416 0.073 5.359 1.00 0.00 C ATOM 368 CD GLU A 24 6.133 1.380 6.047 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.248 2.078 5.615 1.00 0.00 O ATOM 370 OE2 GLU A 24 6.724 1.629 7.071 1.00 0.00 O ATOM 0 H GLU A 24 7.228 -0.129 2.538 1.00 0.00 H new ATOM 0 HA GLU A 24 5.982 -2.247 3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.353 0.701 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.434 -0.347 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.373 -0.739 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.428 0.085 4.954 1.00 0.00 H new ATOM 377 N PHE A 25 4.560 -1.182 1.261 1.00 0.00 N ATOM 378 CA PHE A 25 3.463 -1.407 0.328 1.00 0.00 C ATOM 379 C PHE A 25 3.399 -2.866 -0.106 1.00 0.00 C ATOM 380 O PHE A 25 2.317 -3.415 -0.311 1.00 0.00 O ATOM 381 CB PHE A 25 3.607 -0.500 -0.896 1.00 0.00 C ATOM 382 CG PHE A 25 2.578 -0.751 -1.961 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.233 -0.525 -1.713 1.00 0.00 C ATOM 384 CD2 PHE A 25 2.953 -1.214 -3.213 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.286 -0.755 -2.692 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.009 -1.444 -4.194 1.00 0.00 C ATOM 387 CZ PHE A 25 0.673 -1.215 -3.932 1.00 0.00 C ATOM 0 H PHE A 25 5.294 -0.568 0.908 1.00 0.00 H new ATOM 0 HA PHE A 25 2.533 -1.164 0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.539 0.540 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.600 -0.638 -1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.922 -0.165 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.996 -1.397 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.759 -0.574 -2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.315 -1.803 -5.165 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.067 -1.396 -4.697 1.00 0.00 H new ATOM 397 N GLY A 26 4.565 -3.488 -0.243 1.00 0.00 N ATOM 398 CA GLY A 26 4.643 -4.888 -0.641 1.00 0.00 C ATOM 399 C GLY A 26 3.748 -5.759 0.232 1.00 0.00 C ATOM 400 O GLY A 26 3.070 -6.661 -0.262 1.00 0.00 O ATOM 0 H GLY A 26 5.469 -3.044 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.347 -4.989 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.674 -5.233 -0.567 1.00 0.00 H new ATOM 404 N ASP A 27 3.748 -5.484 1.531 1.00 0.00 N ATOM 405 CA ASP A 27 2.903 -6.212 2.469 1.00 0.00 C ATOM 406 C ASP A 27 1.428 -6.053 2.120 1.00 0.00 C ATOM 407 O ASP A 27 0.630 -6.966 2.328 1.00 0.00 O ATOM 408 CB ASP A 27 3.158 -5.738 3.902 1.00 0.00 C ATOM 409 CG ASP A 27 4.498 -6.174 4.480 1.00 0.00 C ATOM 410 OD1 ASP A 27 5.120 -7.034 3.903 1.00 0.00 O ATOM 411 OD2 ASP A 27 4.961 -5.539 5.397 1.00 0.00 O ATOM 0 H ASP A 27 4.325 -4.760 1.959 1.00 0.00 H new ATOM 0 HA ASP A 27 3.159 -7.269 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.102 -4.650 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.360 -6.113 4.543 1.00 0.00 H new ATOM 416 N ILE A 28 1.074 -4.888 1.590 1.00 0.00 N ATOM 417 CA ILE A 28 -0.309 -4.599 1.230 1.00 0.00 C ATOM 418 C ILE A 28 -0.707 -5.323 -0.049 1.00 0.00 C ATOM 419 O ILE A 28 -1.697 -6.055 -0.079 1.00 0.00 O ATOM 420 CB ILE A 28 -0.542 -3.088 1.048 1.00 0.00 C ATOM 421 CG1 ILE A 28 -0.303 -2.348 2.368 1.00 0.00 C ATOM 422 CG2 ILE A 28 -1.949 -2.824 0.534 1.00 0.00 C ATOM 423 CD1 ILE A 28 -0.195 -0.848 2.216 1.00 0.00 C ATOM 0 H ILE A 28 1.726 -4.127 1.400 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.929 -4.955 2.053 1.00 0.00 H new ATOM 0 HB ILE A 28 0.168 -2.715 0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.118 -2.576 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.613 -2.724 2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.096 -1.751 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.085 -3.321 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.676 -3.210 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.026 -0.395 3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.638 -0.608 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.119 -0.458 1.790 1.00 0.00 H new ATOM 435 N ILE A 29 0.068 -5.113 -1.108 1.00 0.00 N ATOM 436 CA ILE A 29 -0.313 -5.567 -2.439 1.00 0.00 C ATOM 437 C ILE A 29 -0.188 -7.080 -2.564 1.00 0.00 C ATOM 438 O ILE A 29 -0.788 -7.692 -3.447 1.00 0.00 O ATOM 439 CB ILE A 29 0.543 -4.898 -3.531 1.00 0.00 C ATOM 440 CG1 ILE A 29 -0.125 -5.050 -4.901 1.00 0.00 C ATOM 441 CG2 ILE A 29 1.941 -5.494 -3.549 1.00 0.00 C ATOM 442 CD1 ILE A 29 -1.435 -4.308 -5.027 1.00 0.00 C ATOM 0 H ILE A 29 0.966 -4.630 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.355 -5.280 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 29 0.626 -3.835 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.560 -4.693 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.298 -6.109 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.533 -5.010 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.416 -5.337 -2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.878 -6.563 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.847 -4.464 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.138 -4.681 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.267 -3.243 -4.866 1.00 0.00 H new ATOM 454 N ARG A 30 0.597 -7.678 -1.674 1.00 0.00 N ATOM 455 CA ARG A 30 0.810 -9.121 -1.687 1.00 0.00 C ATOM 456 C ARG A 30 -0.413 -9.862 -1.161 1.00 0.00 C ATOM 457 O ARG A 30 -0.536 -11.075 -1.331 1.00 0.00 O ATOM 458 CB ARG A 30 2.071 -9.522 -0.936 1.00 0.00 C ATOM 459 CG ARG A 30 3.369 -9.258 -1.682 1.00 0.00 C ATOM 460 CD ARG A 30 4.596 -9.545 -0.894 1.00 0.00 C ATOM 461 NE ARG A 30 5.840 -9.275 -1.598 1.00 0.00 N ATOM 462 CZ ARG A 30 7.052 -9.213 -1.012 1.00 0.00 C ATOM 463 NH1 ARG A 30 7.185 -9.361 0.287 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.103 -8.974 -1.777 1.00 0.00 N ATOM 0 H ARG A 30 1.097 -7.185 -0.934 1.00 0.00 H new ATOM 0 HA ARG A 30 0.957 -9.414 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.098 -8.986 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.014 -10.585 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.383 -9.864 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.388 -8.214 -1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.574 -8.951 0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.583 -10.593 -0.593 1.00 0.00 H new ATOM 0 HE ARG A 30 5.792 -9.122 -2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.363 -9.526 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.110 -9.311 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.983 -8.842 -2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.034 -8.921 -1.363 1.00 0.00 H new ATOM 478 N LEU A 31 -1.315 -9.125 -0.522 1.00 0.00 N ATOM 479 CA LEU A 31 -2.522 -9.716 0.044 1.00 0.00 C ATOM 480 C LEU A 31 -3.371 -10.376 -1.035 1.00 0.00 C ATOM 481 O LEU A 31 -3.987 -11.416 -0.803 1.00 0.00 O ATOM 482 CB LEU A 31 -3.338 -8.647 0.785 1.00 0.00 C ATOM 483 CG LEU A 31 -2.687 -8.098 2.061 1.00 0.00 C ATOM 484 CD1 LEU A 31 -3.496 -6.924 2.596 1.00 0.00 C ATOM 485 CD2 LEU A 31 -2.591 -9.206 3.100 1.00 0.00 C ATOM 0 H LEU A 31 -1.233 -8.118 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.221 -10.487 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.522 -7.816 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.309 -9.069 1.044 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.682 -7.743 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.026 -6.541 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.533 -6.135 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.509 -7.254 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.128 -8.816 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.590 -9.575 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.986 -10.022 2.706 1.00 0.00 H new ATOM 497 N THR A 32 -3.400 -9.765 -2.214 1.00 0.00 N ATOM 498 CA THR A 32 -4.099 -10.339 -3.358 1.00 0.00 C ATOM 499 C THR A 32 -3.168 -10.487 -4.554 1.00 0.00 C ATOM 500 O THR A 32 -3.497 -11.165 -5.529 1.00 0.00 O ATOM 501 CB THR A 32 -5.312 -9.485 -3.766 1.00 0.00 C ATOM 502 OG1 THR A 32 -4.872 -8.170 -4.136 1.00 0.00 O ATOM 503 CG2 THR A 32 -6.301 -9.378 -2.616 1.00 0.00 C ATOM 0 H THR A 32 -2.947 -8.871 -2.403 1.00 0.00 H new ATOM 0 HA THR A 32 -4.449 -11.324 -3.050 1.00 0.00 H new ATOM 0 HB THR A 32 -5.805 -9.963 -4.612 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.645 -7.628 -4.397 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.152 -8.770 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.647 -10.374 -2.340 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.814 -8.913 -1.759 1.00 0.00 H new ATOM 511 N GLY A 33 -2.005 -9.849 -4.476 1.00 0.00 N ATOM 512 CA GLY A 33 -1.033 -9.890 -5.562 1.00 0.00 C ATOM 513 C GLY A 33 0.182 -10.725 -5.182 1.00 0.00 C ATOM 514 O GLY A 33 1.318 -10.360 -5.484 1.00 0.00 O ATOM 0 H GLY A 33 -1.712 -9.296 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.499 -10.307 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.718 -8.876 -5.810 1.00 0.00 H new ATOM 518 N GLU A 34 -0.063 -11.850 -4.518 1.00 0.00 N ATOM 519 CA GLU A 34 1.010 -12.753 -4.117 1.00 0.00 C ATOM 520 C GLU A 34 1.621 -13.451 -5.324 1.00 0.00 C ATOM 521 O GLU A 34 2.682 -14.067 -5.227 1.00 0.00 O ATOM 522 CB GLU A 34 0.492 -13.788 -3.116 1.00 0.00 C ATOM 523 CG GLU A 34 -0.513 -14.774 -3.695 1.00 0.00 C ATOM 524 CD GLU A 34 -1.910 -14.218 -3.650 1.00 0.00 C ATOM 525 OE1 GLU A 34 -2.064 -13.077 -3.286 1.00 0.00 O ATOM 526 OE2 GLU A 34 -2.811 -14.895 -4.088 1.00 0.00 O ATOM 0 H GLU A 34 -0.996 -12.158 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 34 1.787 -12.157 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.340 -14.344 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.029 -13.266 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.245 -15.007 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.473 -15.709 -3.136 1.00 0.00 H new ATOM 533 N GLN A 35 0.946 -13.351 -6.464 1.00 0.00 N ATOM 534 CA GLN A 35 1.445 -13.933 -7.705 1.00 0.00 C ATOM 535 C GLN A 35 2.204 -12.901 -8.530 1.00 0.00 C ATOM 536 O GLN A 35 2.645 -13.186 -9.643 1.00 0.00 O ATOM 537 CB GLN A 35 0.290 -14.507 -8.530 1.00 0.00 C ATOM 538 CG GLN A 35 -0.477 -15.620 -7.838 1.00 0.00 C ATOM 539 CD GLN A 35 0.396 -16.821 -7.530 1.00 0.00 C ATOM 540 OE1 GLN A 35 1.157 -17.288 -8.383 1.00 0.00 O ATOM 541 NE2 GLN A 35 0.289 -17.332 -6.309 1.00 0.00 N ATOM 0 H GLN A 35 0.050 -12.872 -6.555 1.00 0.00 H new ATOM 0 HA GLN A 35 2.131 -14.738 -7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.402 -13.701 -8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.685 -14.885 -9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.906 -15.239 -6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.309 -15.932 -8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.353 -16.914 -5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.849 -18.143 -6.045 1.00 0.00 H new ATOM 550 N LEU A 36 2.353 -11.702 -7.976 1.00 0.00 N ATOM 551 CA LEU A 36 3.072 -10.631 -8.654 1.00 0.00 C ATOM 552 C LEU A 36 4.543 -10.617 -8.256 1.00 0.00 C ATOM 553 O LEU A 36 4.909 -11.088 -7.180 1.00 0.00 O ATOM 554 CB LEU A 36 2.422 -9.277 -8.342 1.00 0.00 C ATOM 555 CG LEU A 36 0.944 -9.158 -8.732 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.399 -7.801 -8.306 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.795 -9.352 -10.234 1.00 0.00 C ATOM 0 H LEU A 36 1.985 -11.448 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 36 3.016 -10.812 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.516 -9.084 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.981 -8.496 -8.857 1.00 0.00 H new ATOM 0 HG LEU A 36 0.371 -9.932 -8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.651 -7.726 -8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.494 -7.694 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.964 -7.011 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.256 -9.267 -10.509 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.370 -8.589 -10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.164 -10.339 -10.512 1.00 0.00 H new ATOM 569 N THR A 37 5.382 -10.073 -9.131 1.00 0.00 N ATOM 570 CA THR A 37 6.808 -9.952 -8.852 1.00 0.00 C ATOM 571 C THR A 37 7.108 -8.690 -8.054 1.00 0.00 C ATOM 572 O THR A 37 6.263 -7.802 -7.937 1.00 0.00 O ATOM 573 CB THR A 37 7.639 -9.938 -10.149 1.00 0.00 C ATOM 574 OG1 THR A 37 7.356 -8.742 -10.887 1.00 0.00 O ATOM 575 CG2 THR A 37 7.309 -11.149 -11.006 1.00 0.00 C ATOM 0 H THR A 37 5.098 -9.708 -10.040 1.00 0.00 H new ATOM 0 HA THR A 37 7.088 -10.825 -8.263 1.00 0.00 H new ATOM 0 HB THR A 37 8.696 -9.969 -9.887 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.886 -8.733 -11.711 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.905 -11.123 -11.918 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.535 -12.060 -10.451 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.250 -11.134 -11.264 1.00 0.00 H new ATOM 583 N ASP A 38 8.316 -8.615 -7.506 1.00 0.00 N ATOM 584 CA ASP A 38 8.753 -7.434 -6.772 1.00 0.00 C ATOM 585 C ASP A 38 8.835 -6.217 -7.686 1.00 0.00 C ATOM 586 O ASP A 38 8.641 -5.084 -7.246 1.00 0.00 O ATOM 587 CB ASP A 38 10.109 -7.685 -6.110 1.00 0.00 C ATOM 588 CG ASP A 38 10.056 -8.608 -4.899 1.00 0.00 C ATOM 589 OD1 ASP A 38 8.976 -8.884 -4.434 1.00 0.00 O ATOM 590 OD2 ASP A 38 11.075 -9.153 -4.548 1.00 0.00 O ATOM 0 H ASP A 38 9.011 -9.360 -7.557 1.00 0.00 H new ATOM 0 HA ASP A 38 8.013 -7.231 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.787 -8.113 -6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.533 -6.729 -5.805 1.00 0.00 H new ATOM 595 N GLU A 39 9.124 -6.459 -8.960 1.00 0.00 N ATOM 596 CA GLU A 39 9.078 -5.406 -9.969 1.00 0.00 C ATOM 597 C GLU A 39 7.649 -4.937 -10.210 1.00 0.00 C ATOM 598 O GLU A 39 7.395 -3.742 -10.358 1.00 0.00 O ATOM 599 CB GLU A 39 9.700 -5.894 -11.280 1.00 0.00 C ATOM 600 CG GLU A 39 11.207 -6.093 -11.225 1.00 0.00 C ATOM 601 CD GLU A 39 11.727 -6.684 -12.506 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.934 -6.987 -13.364 1.00 0.00 O ATOM 603 OE2 GLU A 39 12.923 -6.730 -12.673 1.00 0.00 O ATOM 0 H GLU A 39 9.393 -7.375 -9.319 1.00 0.00 H new ATOM 0 HA GLU A 39 9.656 -4.560 -9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.231 -6.837 -11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.469 -5.176 -12.067 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.696 -5.137 -11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.459 -6.748 -10.391 1.00 0.00 H new ATOM 610 N ASP A 40 6.719 -5.885 -10.249 1.00 0.00 N ATOM 611 CA ASP A 40 5.300 -5.562 -10.345 1.00 0.00 C ATOM 612 C ASP A 40 4.851 -4.695 -9.176 1.00 0.00 C ATOM 613 O ASP A 40 4.072 -3.758 -9.349 1.00 0.00 O ATOM 614 CB ASP A 40 4.461 -6.841 -10.404 1.00 0.00 C ATOM 615 CG ASP A 40 4.600 -7.624 -11.702 1.00 0.00 C ATOM 616 OD1 ASP A 40 5.070 -7.065 -12.664 1.00 0.00 O ATOM 617 OD2 ASP A 40 4.383 -8.813 -11.681 1.00 0.00 O ATOM 0 H ASP A 40 6.922 -6.884 -10.216 1.00 0.00 H new ATOM 0 HA ASP A 40 5.149 -4.997 -11.265 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.745 -7.486 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.412 -6.580 -10.262 1.00 0.00 H new ATOM 622 N VAL A 41 5.347 -5.014 -7.985 1.00 0.00 N ATOM 623 CA VAL A 41 5.015 -4.251 -6.788 1.00 0.00 C ATOM 624 C VAL A 41 5.483 -2.806 -6.908 1.00 0.00 C ATOM 625 O VAL A 41 4.747 -1.877 -6.576 1.00 0.00 O ATOM 626 CB VAL A 41 5.638 -4.880 -5.527 1.00 0.00 C ATOM 627 CG1 VAL A 41 5.425 -3.976 -4.321 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.044 -6.257 -5.270 1.00 0.00 C ATOM 0 H VAL A 41 5.981 -5.797 -7.823 1.00 0.00 H new ATOM 0 HA VAL A 41 3.929 -4.270 -6.694 1.00 0.00 H new ATOM 0 HB VAL A 41 6.710 -4.991 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.871 -4.435 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.894 -3.009 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.357 -3.835 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.495 -6.687 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.967 -6.168 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.243 -6.904 -6.124 1.00 0.00 H new ATOM 638 N ASP A 42 6.710 -2.625 -7.382 1.00 0.00 N ATOM 639 CA ASP A 42 7.280 -1.292 -7.542 1.00 0.00 C ATOM 640 C ASP A 42 6.522 -0.491 -8.592 1.00 0.00 C ATOM 641 O ASP A 42 6.320 0.713 -8.439 1.00 0.00 O ATOM 642 CB ASP A 42 8.761 -1.385 -7.920 1.00 0.00 C ATOM 643 CG ASP A 42 9.670 -1.851 -6.791 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.222 -1.888 -5.670 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.750 -2.313 -7.077 1.00 0.00 O ATOM 0 H ASP A 42 7.330 -3.385 -7.663 1.00 0.00 H new ATOM 0 HA ASP A 42 7.189 -0.774 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.866 -2.070 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.098 -0.406 -8.261 1.00 0.00 H new ATOM 650 N GLU A 43 6.103 -1.166 -9.657 1.00 0.00 N ATOM 651 CA GLU A 43 5.344 -0.523 -10.722 1.00 0.00 C ATOM 652 C GLU A 43 3.988 -0.043 -10.220 1.00 0.00 C ATOM 653 O GLU A 43 3.566 1.075 -10.516 1.00 0.00 O ATOM 654 CB GLU A 43 5.159 -1.480 -11.902 1.00 0.00 C ATOM 655 CG GLU A 43 6.417 -1.714 -12.725 1.00 0.00 C ATOM 656 CD GLU A 43 6.203 -2.785 -13.759 1.00 0.00 C ATOM 657 OE1 GLU A 43 5.147 -3.370 -13.769 1.00 0.00 O ATOM 658 OE2 GLU A 43 7.049 -2.942 -14.607 1.00 0.00 O ATOM 0 H GLU A 43 6.277 -2.160 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 43 5.911 0.346 -11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.803 -2.439 -11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.380 -1.086 -12.555 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.711 -0.786 -13.215 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.237 -2.000 -12.066 1.00 0.00 H new ATOM 665 N ILE A 44 3.311 -0.894 -9.458 1.00 0.00 N ATOM 666 CA ILE A 44 2.013 -0.547 -8.888 1.00 0.00 C ATOM 667 C ILE A 44 2.141 0.591 -7.884 1.00 0.00 C ATOM 668 O ILE A 44 1.297 1.486 -7.834 1.00 0.00 O ATOM 669 CB ILE A 44 1.358 -1.757 -8.198 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.991 -2.826 -9.230 1.00 0.00 C ATOM 671 CG2 ILE A 44 0.127 -1.321 -7.418 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.601 -4.154 -8.622 1.00 0.00 C ATOM 0 H ILE A 44 3.639 -1.830 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 44 1.380 -0.228 -9.716 1.00 0.00 H new ATOM 0 HB ILE A 44 2.074 -2.187 -7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.165 -2.460 -9.840 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.838 -2.978 -9.899 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.324 -2.188 -6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.416 -0.594 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.594 -0.868 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.355 -4.859 -9.416 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.433 -4.544 -8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.266 -4.018 -7.976 1.00 0.00 H new ATOM 684 N PHE A 45 3.201 0.552 -7.084 1.00 0.00 N ATOM 685 CA PHE A 45 3.490 1.627 -6.142 1.00 0.00 C ATOM 686 C PHE A 45 3.588 2.971 -6.853 1.00 0.00 C ATOM 687 O PHE A 45 2.960 3.948 -6.443 1.00 0.00 O ATOM 688 CB PHE A 45 4.786 1.338 -5.383 1.00 0.00 C ATOM 689 CG PHE A 45 5.153 2.399 -4.384 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.617 2.382 -3.105 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.033 3.416 -4.722 1.00 0.00 C ATOM 692 CE1 PHE A 45 4.954 3.357 -2.185 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.372 4.391 -3.804 1.00 0.00 C ATOM 694 CZ PHE A 45 5.831 4.362 -2.535 1.00 0.00 C ATOM 0 H PHE A 45 3.875 -0.213 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 45 2.666 1.678 -5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.688 0.383 -4.866 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.600 1.230 -6.100 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.929 1.598 -2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.458 3.446 -5.714 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.530 3.332 -1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.061 5.176 -4.080 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.094 5.125 -1.817 1.00 0.00 H new ATOM 704 N GLY A 46 4.379 3.014 -7.919 1.00 0.00 N ATOM 705 CA GLY A 46 4.572 4.243 -8.680 1.00 0.00 C ATOM 706 C GLY A 46 3.277 4.685 -9.350 1.00 0.00 C ATOM 707 O GLY A 46 3.011 5.880 -9.480 1.00 0.00 O ATOM 0 H GLY A 46 4.897 2.211 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.930 5.032 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.342 4.089 -9.436 1.00 0.00 H new ATOM 711 N ASP A 47 2.474 3.715 -9.773 1.00 0.00 N ATOM 712 CA ASP A 47 1.189 4.002 -10.400 1.00 0.00 C ATOM 713 C ASP A 47 0.208 4.596 -9.398 1.00 0.00 C ATOM 714 O ASP A 47 -0.576 5.484 -9.733 1.00 0.00 O ATOM 715 CB ASP A 47 0.602 2.734 -11.024 1.00 0.00 C ATOM 716 CG ASP A 47 1.290 2.286 -12.306 1.00 0.00 C ATOM 717 OD1 ASP A 47 2.049 3.054 -12.848 1.00 0.00 O ATOM 718 OD2 ASP A 47 1.175 1.133 -12.647 1.00 0.00 O ATOM 0 H ASP A 47 2.691 2.722 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 47 1.359 4.737 -11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.658 1.926 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.454 2.902 -11.233 1.00 0.00 H new ATOM 723 N SER A 48 0.255 4.100 -8.166 1.00 0.00 N ATOM 724 CA SER A 48 -0.629 4.582 -7.111 1.00 0.00 C ATOM 725 C SER A 48 -0.126 5.898 -6.531 1.00 0.00 C ATOM 726 O SER A 48 -0.883 6.643 -5.910 1.00 0.00 O ATOM 727 CB SER A 48 -0.758 3.538 -6.020 1.00 0.00 C ATOM 728 OG SER A 48 0.452 3.330 -5.344 1.00 0.00 O ATOM 0 H SER A 48 0.897 3.363 -7.873 1.00 0.00 H new ATOM 0 HA SER A 48 -1.612 4.762 -7.547 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.522 3.851 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.095 2.598 -6.456 1.00 0.00 H new ATOM 0 HG SER A 48 1.197 3.629 -5.907 1.00 0.00 H new ATOM 734 N ASP A 49 1.158 6.177 -6.735 1.00 0.00 N ATOM 735 CA ASP A 49 1.743 7.443 -6.311 1.00 0.00 C ATOM 736 C ASP A 49 1.488 8.539 -7.338 1.00 0.00 C ATOM 737 O ASP A 49 2.390 8.930 -8.079 1.00 0.00 O ATOM 738 CB ASP A 49 3.247 7.285 -6.071 1.00 0.00 C ATOM 739 CG ASP A 49 3.914 8.502 -5.445 1.00 0.00 C ATOM 740 OD1 ASP A 49 3.213 9.408 -5.061 1.00 0.00 O ATOM 741 OD2 ASP A 49 5.098 8.451 -5.212 1.00 0.00 O ATOM 0 H ASP A 49 1.813 5.542 -7.192 1.00 0.00 H new ATOM 0 HA ASP A 49 1.265 7.735 -5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.411 6.423 -5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.734 7.068 -7.022 1.00 0.00 H new ATOM 746 N THR A 50 0.254 9.032 -7.376 1.00 0.00 N ATOM 747 CA THR A 50 -0.137 10.039 -8.354 1.00 0.00 C ATOM 748 C THR A 50 0.614 11.344 -8.133 1.00 0.00 C ATOM 749 O THR A 50 1.018 12.009 -9.087 1.00 0.00 O ATOM 750 CB THR A 50 -1.652 10.315 -8.305 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.370 9.118 -8.630 1.00 0.00 O ATOM 752 CG2 THR A 50 -2.026 11.410 -9.291 1.00 0.00 C ATOM 0 H THR A 50 -0.492 8.750 -6.740 1.00 0.00 H new ATOM 0 HA THR A 50 0.119 9.639 -9.335 1.00 0.00 H new ATOM 0 HB THR A 50 -1.914 10.641 -7.299 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.333 9.295 -8.597 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.100 11.592 -9.243 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.491 12.326 -9.038 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.756 11.099 -10.300 1.00 0.00 H new ATOM 760 N ASP A 51 0.800 11.707 -6.869 1.00 0.00 N ATOM 761 CA ASP A 51 1.435 12.973 -6.520 1.00 0.00 C ATOM 762 C ASP A 51 2.950 12.879 -6.629 1.00 0.00 C ATOM 763 O ASP A 51 3.655 13.880 -6.504 1.00 0.00 O ATOM 764 CB ASP A 51 1.036 13.401 -5.105 1.00 0.00 C ATOM 765 CG ASP A 51 -0.411 13.858 -4.971 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.031 14.108 -5.978 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.930 13.805 -3.882 1.00 0.00 O ATOM 0 H ASP A 51 0.520 11.142 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 51 1.089 13.725 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.205 12.566 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.691 14.211 -4.785 1.00 0.00 H new ATOM 772 N LYS A 52 3.448 11.669 -6.864 1.00 0.00 N ATOM 773 CA LYS A 52 4.881 11.443 -7.000 1.00 0.00 C ATOM 774 C LYS A 52 5.635 11.931 -5.771 1.00 0.00 C ATOM 775 O LYS A 52 6.660 12.604 -5.885 1.00 0.00 O ATOM 776 CB LYS A 52 5.416 12.136 -8.255 1.00 0.00 C ATOM 777 CG LYS A 52 4.800 11.642 -9.557 1.00 0.00 C ATOM 778 CD LYS A 52 5.378 12.379 -10.757 1.00 0.00 C ATOM 779 CE LYS A 52 4.724 11.925 -12.054 1.00 0.00 C ATOM 780 NZ LYS A 52 5.217 12.698 -13.226 1.00 0.00 N ATOM 0 H LYS A 52 2.878 10.829 -6.964 1.00 0.00 H new ATOM 0 HA LYS A 52 5.041 10.369 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.239 13.208 -8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.496 11.994 -8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.979 10.572 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.720 11.783 -9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.234 13.452 -10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.453 12.206 -10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.923 10.865 -12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.643 12.038 -11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.747 12.358 -14.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.004 13.707 -13.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.245 12.570 -13.319 1.00 0.00 H new ATOM 794 N ASN A 53 5.122 11.590 -4.594 1.00 0.00 N ATOM 795 CA ASN A 53 5.708 12.048 -3.340 1.00 0.00 C ATOM 796 C ASN A 53 6.695 11.028 -2.787 1.00 0.00 C ATOM 797 O ASN A 53 7.451 11.320 -1.861 1.00 0.00 O ATOM 798 CB ASN A 53 4.639 12.357 -2.307 1.00 0.00 C ATOM 799 CG ASN A 53 3.837 13.590 -2.618 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.312 14.513 -3.289 1.00 0.00 O ATOM 801 ND2 ASN A 53 2.652 13.646 -2.065 1.00 0.00 N ATOM 0 H ASN A 53 4.300 10.997 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 53 6.249 12.969 -3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.964 11.505 -2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.112 12.478 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.075 14.479 -2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.306 12.856 -1.520 1.00 0.00 H new ATOM 808 N GLY A 54 6.682 9.830 -3.361 1.00 0.00 N ATOM 809 CA GLY A 54 7.531 8.744 -2.885 1.00 0.00 C ATOM 810 C GLY A 54 6.842 7.947 -1.785 1.00 0.00 C ATOM 811 O GLY A 54 7.426 7.028 -1.212 1.00 0.00 O ATOM 0 H GLY A 54 6.093 9.586 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.780 8.083 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.470 9.151 -2.509 1.00 0.00 H new ATOM 815 N ARG A 55 5.596 8.307 -1.493 1.00 0.00 N ATOM 816 CA ARG A 55 4.836 7.650 -0.437 1.00 0.00 C ATOM 817 C ARG A 55 3.384 7.444 -0.849 1.00 0.00 C ATOM 818 O ARG A 55 2.869 8.151 -1.715 1.00 0.00 O ATOM 819 CB ARG A 55 4.939 8.387 0.889 1.00 0.00 C ATOM 820 CG ARG A 55 6.336 8.436 1.487 1.00 0.00 C ATOM 821 CD ARG A 55 6.837 7.128 1.982 1.00 0.00 C ATOM 822 NE ARG A 55 8.092 7.201 2.712 1.00 0.00 N ATOM 823 CZ ARG A 55 9.312 7.205 2.140 1.00 0.00 C ATOM 824 NH1 ARG A 55 9.448 7.102 0.837 1.00 0.00 N ATOM 825 NH2 ARG A 55 10.371 7.290 2.926 1.00 0.00 N ATOM 0 H ARG A 55 5.091 9.051 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 55 5.283 6.667 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.583 9.408 0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.269 7.911 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.027 8.815 0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.340 9.149 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.080 6.684 2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.964 6.457 1.133 1.00 0.00 H new ATOM 0 HE ARG A 55 8.046 7.253 3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.623 7.017 0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.379 7.107 0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.252 7.350 3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.307 7.295 2.521 1.00 0.00 H new ATOM 839 N ILE A 56 2.729 6.471 -0.225 1.00 0.00 N ATOM 840 CA ILE A 56 1.296 6.273 -0.407 1.00 0.00 C ATOM 841 C ILE A 56 0.519 6.696 0.833 1.00 0.00 C ATOM 842 O ILE A 56 0.755 6.185 1.928 1.00 0.00 O ATOM 843 CB ILE A 56 0.965 4.805 -0.733 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.556 4.413 -2.090 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.539 4.582 -0.719 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.406 2.945 -2.420 1.00 0.00 C ATOM 0 H ILE A 56 3.168 5.806 0.412 1.00 0.00 H new ATOM 0 HA ILE A 56 0.998 6.898 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 56 1.412 4.171 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.073 5.002 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.615 4.673 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.754 3.539 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.933 4.823 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.009 5.224 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.848 2.744 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.913 2.348 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.348 2.683 -2.440 1.00 0.00 H new ATOM 858 N ASP A 57 -0.407 7.630 0.654 1.00 0.00 N ATOM 859 CA ASP A 57 -1.213 8.132 1.762 1.00 0.00 C ATOM 860 C ASP A 57 -2.454 7.274 1.973 1.00 0.00 C ATOM 861 O ASP A 57 -2.628 6.246 1.317 1.00 0.00 O ATOM 862 CB ASP A 57 -1.617 9.588 1.515 1.00 0.00 C ATOM 863 CG ASP A 57 -2.554 9.789 0.332 1.00 0.00 C ATOM 864 OD1 ASP A 57 -3.063 8.815 -0.170 1.00 0.00 O ATOM 865 OD2 ASP A 57 -2.876 10.916 0.040 1.00 0.00 O ATOM 0 H ASP A 57 -0.619 8.056 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.605 8.081 2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.097 9.976 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.716 10.180 1.354 1.00 0.00 H new ATOM 870 N PHE A 58 -3.314 7.702 2.891 1.00 0.00 N ATOM 871 CA PHE A 58 -4.476 6.912 3.278 1.00 0.00 C ATOM 872 C PHE A 58 -5.486 6.824 2.140 1.00 0.00 C ATOM 873 O PHE A 58 -6.087 5.774 1.911 1.00 0.00 O ATOM 874 CB PHE A 58 -5.138 7.509 4.522 1.00 0.00 C ATOM 875 CG PHE A 58 -6.210 6.640 5.115 1.00 0.00 C ATOM 876 CD1 PHE A 58 -6.167 5.262 4.966 1.00 0.00 C ATOM 877 CD2 PHE A 58 -7.265 7.199 5.820 1.00 0.00 C ATOM 878 CE1 PHE A 58 -7.154 4.461 5.510 1.00 0.00 C ATOM 879 CE2 PHE A 58 -8.252 6.401 6.367 1.00 0.00 C ATOM 880 CZ PHE A 58 -8.195 5.031 6.211 1.00 0.00 C ATOM 0 H PHE A 58 -3.228 8.592 3.381 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.132 5.903 3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.373 7.692 5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.569 8.476 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.353 4.809 4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.316 8.271 5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.109 3.389 5.386 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.067 6.849 6.916 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.965 4.406 6.638 1.00 0.00 H new ATOM 890 N ASP A 59 -5.667 7.932 1.430 1.00 0.00 N ATOM 891 CA ASP A 59 -6.623 7.988 0.330 1.00 0.00 C ATOM 892 C ASP A 59 -6.283 6.968 -0.749 1.00 0.00 C ATOM 893 O ASP A 59 -7.161 6.265 -1.249 1.00 0.00 O ATOM 894 CB ASP A 59 -6.665 9.395 -0.272 1.00 0.00 C ATOM 895 CG ASP A 59 -7.366 10.431 0.598 1.00 0.00 C ATOM 896 OD1 ASP A 59 -8.019 10.044 1.538 1.00 0.00 O ATOM 897 OD2 ASP A 59 -7.117 11.598 0.413 1.00 0.00 O ATOM 0 H ASP A 59 -5.164 8.804 1.596 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.607 7.744 0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.644 9.727 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.168 9.349 -1.238 1.00 0.00 H new ATOM 902 N GLU A 60 -5.006 6.892 -1.103 1.00 0.00 N ATOM 903 CA GLU A 60 -4.540 5.926 -2.091 1.00 0.00 C ATOM 904 C GLU A 60 -4.454 4.527 -1.495 1.00 0.00 C ATOM 905 O GLU A 60 -4.656 3.532 -2.192 1.00 0.00 O ATOM 906 CB GLU A 60 -3.178 6.345 -2.650 1.00 0.00 C ATOM 907 CG GLU A 60 -3.200 7.633 -3.460 1.00 0.00 C ATOM 908 CD GLU A 60 -4.153 7.534 -4.618 1.00 0.00 C ATOM 909 OE1 GLU A 60 -4.056 6.587 -5.363 1.00 0.00 O ATOM 910 OE2 GLU A 60 -5.048 8.342 -4.696 1.00 0.00 O ATOM 0 H GLU A 60 -4.273 7.489 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.265 5.906 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.480 6.463 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.794 5.541 -3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.490 8.464 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.198 7.850 -3.829 1.00 0.00 H new ATOM 917 N PHE A 61 -4.153 4.457 -0.203 1.00 0.00 N ATOM 918 CA PHE A 61 -4.165 3.190 0.519 1.00 0.00 C ATOM 919 C PHE A 61 -5.509 2.488 0.379 1.00 0.00 C ATOM 920 O PHE A 61 -5.569 1.288 0.113 1.00 0.00 O ATOM 921 CB PHE A 61 -3.840 3.415 1.997 1.00 0.00 C ATOM 922 CG PHE A 61 -4.009 2.188 2.848 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.980 1.268 2.977 1.00 0.00 C ATOM 924 CD2 PHE A 61 -5.199 1.951 3.520 1.00 0.00 C ATOM 925 CE1 PHE A 61 -3.135 0.139 3.759 1.00 0.00 C ATOM 926 CE2 PHE A 61 -5.357 0.824 4.303 1.00 0.00 C ATOM 927 CZ PHE A 61 -4.323 -0.082 4.422 1.00 0.00 C ATOM 0 H PHE A 61 -3.897 5.264 0.366 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.400 2.549 0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.812 3.768 2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.482 4.206 2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.046 1.435 2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.012 2.656 3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.325 -0.570 3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.289 0.652 4.821 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.444 -0.963 5.034 1.00 0.00 H new ATOM 937 N LEU A 62 -6.587 3.245 0.557 1.00 0.00 N ATOM 938 CA LEU A 62 -7.934 2.698 0.449 1.00 0.00 C ATOM 939 C LEU A 62 -8.212 2.195 -0.962 1.00 0.00 C ATOM 940 O LEU A 62 -8.921 1.207 -1.151 1.00 0.00 O ATOM 941 CB LEU A 62 -8.969 3.754 0.854 1.00 0.00 C ATOM 942 CG LEU A 62 -8.959 4.143 2.338 1.00 0.00 C ATOM 943 CD1 LEU A 62 -9.871 5.340 2.570 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.402 2.955 3.179 1.00 0.00 C ATOM 0 H LEU A 62 -6.553 4.240 0.777 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.011 1.849 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.801 4.651 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.962 3.383 0.599 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.948 4.423 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.857 5.609 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.521 6.184 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.888 5.085 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.395 3.232 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.410 2.659 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.719 2.121 3.019 1.00 0.00 H new ATOM 956 N LYS A 63 -7.651 2.883 -1.950 1.00 0.00 N ATOM 957 CA LYS A 63 -7.789 2.474 -3.343 1.00 0.00 C ATOM 958 C LYS A 63 -7.028 1.181 -3.615 1.00 0.00 C ATOM 959 O LYS A 63 -7.438 0.372 -4.447 1.00 0.00 O ATOM 960 CB LYS A 63 -7.296 3.579 -4.278 1.00 0.00 C ATOM 961 CG LYS A 63 -8.162 4.831 -4.282 1.00 0.00 C ATOM 962 CD LYS A 63 -7.579 5.905 -5.187 1.00 0.00 C ATOM 963 CE LYS A 63 -8.350 7.212 -5.066 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.708 8.310 -5.839 1.00 0.00 N ATOM 0 H LYS A 63 -7.096 3.727 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.847 2.295 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.281 3.855 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.245 3.184 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.168 4.578 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.251 5.217 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.533 6.072 -4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.601 5.562 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.370 7.066 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.417 7.498 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.245 9.190 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.732 8.445 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.698 8.063 -6.849 1.00 0.00 H new ATOM 978 N MET A 64 -5.920 0.993 -2.908 1.00 0.00 N ATOM 979 CA MET A 64 -5.138 -0.233 -3.019 1.00 0.00 C ATOM 980 C MET A 64 -5.804 -1.380 -2.269 1.00 0.00 C ATOM 981 O MET A 64 -5.689 -2.540 -2.662 1.00 0.00 O ATOM 982 CB MET A 64 -3.723 -0.006 -2.491 1.00 0.00 C ATOM 983 CG MET A 64 -2.880 0.940 -3.334 1.00 0.00 C ATOM 984 SD MET A 64 -2.590 0.316 -5.001 1.00 0.00 S ATOM 985 CE MET A 64 -3.840 1.209 -5.919 1.00 0.00 C ATOM 0 H MET A 64 -5.542 1.675 -2.251 1.00 0.00 H new ATOM 0 HA MET A 64 -5.084 -0.506 -4.073 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.786 0.389 -1.477 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.214 -0.968 -2.427 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.378 1.908 -3.394 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.922 1.104 -2.840 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.226 0.576 -6.718 1.00 0.00 H new ATOM 0 HE2 MET A 64 -4.654 1.486 -5.250 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.402 2.109 -6.349 1.00 0.00 H new ATOM 995 N MET A 65 -6.500 -1.047 -1.187 1.00 0.00 N ATOM 996 CA MET A 65 -7.234 -2.041 -0.413 1.00 0.00 C ATOM 997 C MET A 65 -8.641 -2.237 -0.961 1.00 0.00 C ATOM 998 O MET A 65 -9.369 -3.129 -0.526 1.00 0.00 O ATOM 999 CB MET A 65 -7.292 -1.628 1.057 1.00 0.00 C ATOM 1000 CG MET A 65 -5.952 -1.674 1.777 1.00 0.00 C ATOM 1001 SD MET A 65 -5.243 -3.332 1.823 1.00 0.00 S ATOM 1002 CE MET A 65 -6.374 -4.153 2.943 1.00 0.00 C ATOM 0 H MET A 65 -6.571 -0.096 -0.826 1.00 0.00 H new ATOM 0 HA MET A 65 -6.705 -2.991 -0.495 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.691 -0.616 1.122 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.993 -2.281 1.578 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.255 -0.999 1.281 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.079 -1.309 2.796 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.973 -5.130 3.213 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.497 -3.550 3.843 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.341 -4.280 2.456 1.00 0.00 H new ATOM 1012 N GLU A 66 -9.019 -1.397 -1.920 1.00 0.00 N ATOM 1013 CA GLU A 66 -10.318 -1.514 -2.572 1.00 0.00 C ATOM 1014 C GLU A 66 -10.524 -2.912 -3.144 1.00 0.00 C ATOM 1015 O GLU A 66 -11.616 -3.473 -3.058 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.457 -0.468 -3.680 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.811 -0.465 -4.375 1.00 0.00 C ATOM 1018 CD GLU A 66 -11.892 0.625 -5.408 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -10.939 1.353 -5.552 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -12.861 0.661 -6.129 1.00 0.00 O ATOM 0 H GLU A 66 -8.443 -0.628 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.086 -1.337 -1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.278 0.520 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.680 -0.640 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.981 -1.432 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.601 -0.329 -3.637 1.00 0.00 H new ATOM 1027 N ASN A 67 -9.467 -3.469 -3.726 1.00 0.00 N ATOM 1028 CA ASN A 67 -9.546 -4.778 -4.364 1.00 0.00 C ATOM 1029 C ASN A 67 -9.107 -5.882 -3.412 1.00 0.00 C ATOM 1030 O ASN A 67 -9.001 -7.045 -3.801 1.00 0.00 O ATOM 1031 CB ASN A 67 -8.721 -4.825 -5.638 1.00 0.00 C ATOM 1032 CG ASN A 67 -9.288 -3.996 -6.757 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -10.503 -3.782 -6.844 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -8.425 -3.598 -7.657 1.00 0.00 N ATOM 0 H ASN A 67 -8.545 -3.034 -3.769 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.590 -4.945 -4.628 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.710 -4.480 -5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.640 -5.860 -5.970 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.745 -3.085 -8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.433 -3.801 -7.537 1.00 0.00 H new ATOM 1041 N VAL A 68 -8.853 -5.512 -2.161 1.00 0.00 N ATOM 1042 CA VAL A 68 -8.408 -6.467 -1.154 1.00 0.00 C ATOM 1043 C VAL A 68 -9.506 -6.746 -0.136 1.00 0.00 C ATOM 1044 O VAL A 68 -9.946 -7.886 0.020 1.00 0.00 O ATOM 1045 CB VAL A 68 -7.152 -5.966 -0.415 1.00 0.00 C ATOM 1046 CG1 VAL A 68 -6.725 -6.968 0.648 1.00 0.00 C ATOM 1047 CG2 VAL A 68 -6.018 -5.720 -1.399 1.00 0.00 C ATOM 0 H VAL A 68 -8.948 -4.555 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.164 -7.389 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.394 -5.023 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.837 -6.599 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.532 -7.099 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.501 -7.925 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.139 -5.367 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.777 -6.649 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.324 -4.968 -2.126 1.00 0.00 H new ATOM 1057 N GLN A 69 -9.946 -5.699 0.554 1.00 0.00 N ATOM 1058 CA GLN A 69 -10.983 -5.834 1.570 1.00 0.00 C ATOM 1059 C GLN A 69 -12.351 -6.048 0.935 1.00 0.00 C ATOM 1060 O GLN A 69 -12.665 -7.138 0.541 1.00 0.00 O ATOM 1061 CB GLN A 69 -11.019 -4.593 2.467 1.00 0.00 C ATOM 1062 CG GLN A 69 -12.077 -4.641 3.555 1.00 0.00 C ATOM 1063 CD GLN A 69 -11.764 -5.675 4.620 1.00 0.00 C ATOM 1064 OE1 GLN A 69 -10.623 -5.790 5.077 1.00 0.00 O ATOM 1065 NE2 GLN A 69 -12.776 -6.437 5.020 1.00 0.00 N ATOM 1066 OXT GLN A 69 -13.115 -5.129 0.829 1.00 0.00 O ATOM 0 H GLN A 69 -9.600 -4.748 0.428 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.742 -6.708 2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.041 -4.466 2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.193 -3.714 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.161 -3.659 4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.045 -4.866 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.703 -6.307 4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.626 -7.152 5.732 1.00 0.00 H new TER 1075 GLN A 69