USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ -112:sc= -0.747 (180deg=-4.51!) USER MOD Set 1.2: A 34 THR OG1 : rot 2:sc= 0.197 USER MOD Single : A 5 THR OG1 : rot 25:sc= 0.655 USER MOD Single : A 8 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.52) USER MOD Single : A 10 SER OG : rot 180:sc=-0.000768 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 0.302 (180deg=-0.696) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 65:sc= -1.42! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc=-0.00935 (180deg=-0.224) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 3:sc= 0.489 USER MOD Single : A 41 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= -0.043 X(o=-0.043,f=-0.23) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.9!) USER MOD Single : A 60 ASN : amide:sc= -6.5! C(o=-6.5!,f=-21!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0297 K(o=-0.03,f=-1.4!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -14.893 -7.175 -6.241 1.00 0.00 N ATOM 62 CA THR A 5 -15.724 -7.648 -5.124 1.00 0.00 C ATOM 63 C THR A 5 -15.497 -6.812 -3.871 1.00 0.00 C ATOM 64 O THR A 5 -14.562 -6.011 -3.796 1.00 0.00 O ATOM 65 CB THR A 5 -15.403 -9.110 -4.802 1.00 0.00 C ATOM 66 OG1 THR A 5 -14.965 -9.761 -5.979 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.649 -9.814 -4.261 1.00 0.00 C ATOM 0 HA THR A 5 -16.765 -7.553 -5.432 1.00 0.00 H new ATOM 0 HB THR A 5 -14.619 -9.148 -4.046 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.591 -9.100 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.410 -10.853 -4.035 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.985 -9.313 -3.353 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.441 -9.778 -5.009 1.00 0.00 H new ATOM 75 N ASP A 6 -16.346 -7.040 -2.870 1.00 0.00 N ATOM 76 CA ASP A 6 -16.228 -6.341 -1.600 1.00 0.00 C ATOM 77 C ASP A 6 -15.080 -6.935 -0.806 1.00 0.00 C ATOM 78 O ASP A 6 -14.184 -6.226 -0.345 1.00 0.00 O ATOM 79 CB ASP A 6 -17.520 -6.496 -0.801 1.00 0.00 C ATOM 80 CG ASP A 6 -17.886 -7.972 -0.682 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.396 -8.516 -1.649 1.00 0.00 O ATOM 82 OD2 ASP A 6 -17.652 -8.535 0.374 1.00 0.00 O ATOM 0 H ASP A 6 -17.120 -7.703 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.043 -5.283 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.398 -6.062 0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.327 -5.951 -1.290 1.00 0.00 H new ATOM 87 N GLU A 7 -15.119 -8.264 -0.646 1.00 0.00 N ATOM 88 CA GLU A 7 -14.092 -8.966 0.080 1.00 0.00 C ATOM 89 C GLU A 7 -12.711 -8.451 -0.296 1.00 0.00 C ATOM 90 O GLU A 7 -11.817 -8.396 0.543 1.00 0.00 O ATOM 91 CB GLU A 7 -14.166 -10.456 -0.249 1.00 0.00 C ATOM 92 CG GLU A 7 -14.318 -10.644 -1.760 1.00 0.00 C ATOM 93 CD GLU A 7 -14.307 -12.131 -2.096 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.040 -12.918 -1.205 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.569 -12.461 -3.241 1.00 0.00 O ATOM 0 H GLU A 7 -15.858 -8.862 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.253 -8.801 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.266 -10.961 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.009 -10.911 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.249 -10.191 -2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.507 -10.137 -2.283 1.00 0.00 H new ATOM 102 N GLN A 8 -12.550 -8.058 -1.548 1.00 0.00 N ATOM 103 CA GLN A 8 -11.275 -7.523 -2.004 1.00 0.00 C ATOM 104 C GLN A 8 -11.041 -6.146 -1.388 1.00 0.00 C ATOM 105 O GLN A 8 -9.907 -5.682 -1.265 1.00 0.00 O ATOM 106 CB GLN A 8 -11.262 -7.436 -3.540 1.00 0.00 C ATOM 107 CG GLN A 8 -11.058 -8.837 -4.133 1.00 0.00 C ATOM 108 CD GLN A 8 -9.635 -9.332 -3.863 1.00 0.00 C ATOM 109 OE1 GLN A 8 -8.664 -8.637 -4.169 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.454 -10.504 -3.314 1.00 0.00 N ATOM 0 H GLN A 8 -13.277 -8.098 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.472 -8.188 -1.687 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.200 -7.011 -3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.464 -6.771 -3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.779 -9.530 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.244 -8.814 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.258 -11.078 -3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.509 -10.844 -3.138 1.00 0.00 H new ATOM 119 N ILE A 9 -12.131 -5.511 -0.978 1.00 0.00 N ATOM 120 CA ILE A 9 -12.048 -4.204 -0.354 1.00 0.00 C ATOM 121 C ILE A 9 -11.731 -4.340 1.131 1.00 0.00 C ATOM 122 O ILE A 9 -10.769 -3.757 1.629 1.00 0.00 O ATOM 123 CB ILE A 9 -13.360 -3.458 -0.555 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.646 -3.342 -2.058 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.245 -2.058 0.049 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.020 -2.710 -2.270 1.00 0.00 C ATOM 0 H ILE A 9 -13.078 -5.880 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.242 -3.637 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.170 -3.999 -0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.878 -2.737 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.612 -4.328 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.183 -1.522 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.031 -2.138 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.438 -1.515 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.222 -2.628 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.783 -3.333 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.037 -1.717 -1.820 1.00 0.00 H new ATOM 138 N SER A 10 -12.547 -5.090 1.846 1.00 0.00 N ATOM 139 CA SER A 10 -12.318 -5.266 3.258 1.00 0.00 C ATOM 140 C SER A 10 -10.942 -5.889 3.489 1.00 0.00 C ATOM 141 O SER A 10 -10.201 -5.446 4.363 1.00 0.00 O ATOM 142 CB SER A 10 -13.406 -6.157 3.837 1.00 0.00 C ATOM 143 OG SER A 10 -12.818 -7.329 4.381 1.00 0.00 O ATOM 0 H SER A 10 -13.362 -5.579 1.475 1.00 0.00 H new ATOM 0 HA SER A 10 -12.347 -4.297 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.957 -5.621 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.124 -6.424 3.061 1.00 0.00 H new ATOM 0 HG SER A 10 -13.519 -7.903 4.756 1.00 0.00 H new ATOM 149 N GLU A 11 -10.603 -6.894 2.686 1.00 0.00 N ATOM 150 CA GLU A 11 -9.301 -7.552 2.826 1.00 0.00 C ATOM 151 C GLU A 11 -8.195 -6.540 2.568 1.00 0.00 C ATOM 152 O GLU A 11 -7.179 -6.520 3.269 1.00 0.00 O ATOM 153 CB GLU A 11 -9.190 -8.718 1.838 1.00 0.00 C ATOM 154 CG GLU A 11 -7.873 -9.478 2.037 1.00 0.00 C ATOM 155 CD GLU A 11 -7.894 -10.216 3.372 1.00 0.00 C ATOM 156 OE1 GLU A 11 -8.947 -10.260 3.986 1.00 0.00 O ATOM 157 OE2 GLU A 11 -6.855 -10.722 3.759 1.00 0.00 O ATOM 0 H GLU A 11 -11.196 -7.267 1.945 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.202 -7.945 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.031 -9.397 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.247 -8.342 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.726 -10.187 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.034 -8.782 2.010 1.00 0.00 H new ATOM 164 N PHE A 12 -8.415 -5.681 1.582 1.00 0.00 N ATOM 165 CA PHE A 12 -7.447 -4.642 1.248 1.00 0.00 C ATOM 166 C PHE A 12 -7.304 -3.673 2.425 1.00 0.00 C ATOM 167 O PHE A 12 -6.195 -3.304 2.823 1.00 0.00 O ATOM 168 CB PHE A 12 -7.961 -3.900 0.002 1.00 0.00 C ATOM 169 CG PHE A 12 -7.490 -4.551 -1.282 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.312 -5.945 -1.397 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.261 -3.735 -2.382 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.898 -6.489 -2.619 1.00 0.00 C ATOM 173 CE2 PHE A 12 -6.855 -4.281 -3.595 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.672 -5.652 -3.716 1.00 0.00 C ATOM 0 H PHE A 12 -9.253 -5.682 1.000 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.469 -5.078 1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.051 -3.877 0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.620 -2.865 0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.494 -6.588 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.399 -2.667 -2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.753 -7.555 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.682 -3.637 -4.445 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.355 -6.073 -4.659 1.00 0.00 H new ATOM 184 N LYS A 13 -8.455 -3.278 2.959 1.00 0.00 N ATOM 185 CA LYS A 13 -8.531 -2.352 4.088 1.00 0.00 C ATOM 186 C LYS A 13 -7.941 -2.957 5.355 1.00 0.00 C ATOM 187 O LYS A 13 -7.198 -2.292 6.077 1.00 0.00 O ATOM 188 CB LYS A 13 -9.991 -1.991 4.301 1.00 0.00 C ATOM 189 CG LYS A 13 -10.115 -0.642 5.006 1.00 0.00 C ATOM 190 CD LYS A 13 -11.592 -0.241 5.066 1.00 0.00 C ATOM 191 CE LYS A 13 -11.744 1.131 5.739 1.00 0.00 C ATOM 192 NZ LYS A 13 -10.709 2.059 5.213 1.00 0.00 N ATOM 0 H LYS A 13 -9.365 -3.591 2.621 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.945 -1.461 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.506 -1.954 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.479 -2.764 4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.701 -0.704 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.541 0.115 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.008 -0.208 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.157 -0.990 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.739 1.533 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.643 1.031 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.993 3.041 5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.799 1.864 5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.610 1.922 4.187 1.00 0.00 H new ATOM 206 N GLU A 14 -8.255 -4.220 5.616 1.00 0.00 N ATOM 207 CA GLU A 14 -7.717 -4.886 6.797 1.00 0.00 C ATOM 208 C GLU A 14 -6.196 -4.961 6.682 1.00 0.00 C ATOM 209 O GLU A 14 -5.469 -4.737 7.655 1.00 0.00 O ATOM 210 CB GLU A 14 -8.300 -6.301 6.921 1.00 0.00 C ATOM 211 CG GLU A 14 -7.776 -6.990 8.190 1.00 0.00 C ATOM 212 CD GLU A 14 -8.387 -8.385 8.305 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.368 -8.641 7.628 1.00 0.00 O ATOM 214 OE2 GLU A 14 -7.858 -9.177 9.066 1.00 0.00 O ATOM 0 H GLU A 14 -8.868 -4.795 5.038 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.991 -4.318 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.388 -6.251 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.032 -6.889 6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.689 -7.060 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.030 -6.397 9.069 1.00 0.00 H new ATOM 221 N ALA A 15 -5.733 -5.249 5.469 1.00 0.00 N ATOM 222 CA ALA A 15 -4.304 -5.337 5.188 1.00 0.00 C ATOM 223 C ALA A 15 -3.632 -3.987 5.425 1.00 0.00 C ATOM 224 O ALA A 15 -2.525 -3.901 5.980 1.00 0.00 O ATOM 225 CB ALA A 15 -4.098 -5.757 3.726 1.00 0.00 C ATOM 0 H ALA A 15 -6.330 -5.426 4.661 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.858 -6.076 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.031 -5.823 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.563 -6.728 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.554 -5.018 3.067 1.00 0.00 H new ATOM 231 N PHE A 16 -4.285 -2.940 4.963 1.00 0.00 N ATOM 232 CA PHE A 16 -3.753 -1.593 5.090 1.00 0.00 C ATOM 233 C PHE A 16 -3.710 -1.081 6.543 1.00 0.00 C ATOM 234 O PHE A 16 -2.694 -0.527 6.967 1.00 0.00 O ATOM 235 CB PHE A 16 -4.587 -0.668 4.205 1.00 0.00 C ATOM 236 CG PHE A 16 -4.221 0.762 4.485 1.00 0.00 C ATOM 237 CD1 PHE A 16 -3.187 1.370 3.768 1.00 0.00 C ATOM 238 CD2 PHE A 16 -4.913 1.480 5.462 1.00 0.00 C ATOM 239 CE1 PHE A 16 -2.844 2.698 4.020 1.00 0.00 C ATOM 240 CE2 PHE A 16 -4.572 2.813 5.719 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.536 3.422 4.994 1.00 0.00 C ATOM 0 H PHE A 16 -5.189 -2.994 4.494 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.713 -1.606 4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.413 -0.899 3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.649 -0.826 4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.652 0.809 3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.709 1.008 6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.045 3.166 3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.105 3.372 6.474 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.274 4.451 5.189 1.00 0.00 H new ATOM 251 N SER A 17 -4.788 -1.278 7.311 1.00 0.00 N ATOM 252 CA SER A 17 -4.786 -0.833 8.713 1.00 0.00 C ATOM 253 C SER A 17 -3.720 -1.604 9.462 1.00 0.00 C ATOM 254 O SER A 17 -3.006 -1.063 10.312 1.00 0.00 O ATOM 255 CB SER A 17 -6.153 -1.032 9.376 1.00 0.00 C ATOM 256 OG SER A 17 -6.034 -0.842 10.778 1.00 0.00 O ATOM 0 H SER A 17 -5.649 -1.728 7.000 1.00 0.00 H new ATOM 0 HA SER A 17 -4.571 0.235 8.742 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.875 -0.327 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.529 -2.033 9.165 1.00 0.00 H new ATOM 0 HG SER A 17 -6.909 -0.968 11.201 1.00 0.00 H new ATOM 262 N LEU A 18 -3.592 -2.866 9.091 1.00 0.00 N ATOM 263 CA LEU A 18 -2.609 -3.754 9.665 1.00 0.00 C ATOM 264 C LEU A 18 -1.216 -3.192 9.395 1.00 0.00 C ATOM 265 O LEU A 18 -0.329 -3.248 10.257 1.00 0.00 O ATOM 266 CB LEU A 18 -2.820 -5.117 8.994 1.00 0.00 C ATOM 267 CG LEU A 18 -1.791 -6.172 9.417 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.993 -6.543 10.888 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.007 -7.407 8.533 1.00 0.00 C ATOM 0 H LEU A 18 -4.175 -3.302 8.376 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.710 -3.855 10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.820 -5.480 9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.776 -4.991 7.912 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.778 -5.786 9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.257 -7.293 11.178 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.870 -5.655 11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.996 -6.946 11.027 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.290 -8.181 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.020 -7.784 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.865 -7.135 7.487 1.00 0.00 H new ATOM 281 N PHE A 19 -1.040 -2.629 8.200 1.00 0.00 N ATOM 282 CA PHE A 19 0.250 -2.048 7.834 1.00 0.00 C ATOM 283 C PHE A 19 0.539 -0.804 8.654 1.00 0.00 C ATOM 284 O PHE A 19 1.675 -0.334 8.687 1.00 0.00 O ATOM 285 CB PHE A 19 0.284 -1.674 6.332 1.00 0.00 C ATOM 286 CG PHE A 19 0.429 -2.914 5.449 1.00 0.00 C ATOM 287 CD1 PHE A 19 0.073 -4.171 5.951 1.00 0.00 C ATOM 288 CD2 PHE A 19 0.903 -2.811 4.125 1.00 0.00 C ATOM 289 CE1 PHE A 19 0.190 -5.313 5.150 1.00 0.00 C ATOM 290 CE2 PHE A 19 1.017 -3.955 3.329 1.00 0.00 C ATOM 291 CZ PHE A 19 0.666 -5.205 3.840 1.00 0.00 C ATOM 0 H PHE A 19 -1.760 -2.563 7.481 1.00 0.00 H new ATOM 0 HA PHE A 19 1.011 -2.801 8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.630 -1.143 6.068 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.114 -0.993 6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.294 -4.260 6.963 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.179 -1.846 3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.088 -6.279 5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.378 -3.871 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.762 -6.087 3.225 1.00 0.00 H new ATOM 301 N ASP A 20 -0.486 -0.265 9.302 1.00 0.00 N ATOM 302 CA ASP A 20 -0.325 0.951 10.105 1.00 0.00 C ATOM 303 C ASP A 20 -0.087 0.633 11.585 1.00 0.00 C ATOM 304 O ASP A 20 -0.999 0.741 12.405 1.00 0.00 O ATOM 305 CB ASP A 20 -1.571 1.829 9.969 1.00 0.00 C ATOM 306 CG ASP A 20 -1.367 3.147 10.701 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.386 3.263 11.422 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.190 4.022 10.525 1.00 0.00 O ATOM 0 H ASP A 20 -1.433 -0.644 9.291 1.00 0.00 H new ATOM 0 HA ASP A 20 0.551 1.479 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.779 2.018 8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.438 1.309 10.376 1.00 0.00 H new ATOM 313 N LYS A 21 1.141 0.227 11.918 1.00 0.00 N ATOM 314 CA LYS A 21 1.473 -0.116 13.306 1.00 0.00 C ATOM 315 C LYS A 21 0.880 0.903 14.282 1.00 0.00 C ATOM 316 O LYS A 21 0.463 0.546 15.387 1.00 0.00 O ATOM 317 CB LYS A 21 3.000 -0.171 13.504 1.00 0.00 C ATOM 318 CG LYS A 21 3.578 -1.416 12.826 1.00 0.00 C ATOM 319 CD LYS A 21 5.048 -1.579 13.225 1.00 0.00 C ATOM 320 CE LYS A 21 5.886 -0.503 12.531 1.00 0.00 C ATOM 321 NZ LYS A 21 7.334 -0.854 12.619 1.00 0.00 N ATOM 0 H LYS A 21 1.912 0.128 11.258 1.00 0.00 H new ATOM 0 HA LYS A 21 1.044 -1.097 13.510 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.460 0.725 13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.236 -0.185 14.568 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.011 -2.299 13.119 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.492 -1.327 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.154 -1.496 14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.405 -2.570 12.945 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.587 -0.414 11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.708 0.466 12.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.819 -0.174 13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.436 -1.812 13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.758 -0.821 11.670 1.00 0.00 H new ATOM 335 N ASP A 22 0.869 2.168 13.882 1.00 0.00 N ATOM 336 CA ASP A 22 0.339 3.226 14.742 1.00 0.00 C ATOM 337 C ASP A 22 -1.181 3.331 14.622 1.00 0.00 C ATOM 338 O ASP A 22 -1.848 3.847 15.519 1.00 0.00 O ATOM 339 CB ASP A 22 0.973 4.561 14.360 1.00 0.00 C ATOM 340 CG ASP A 22 2.494 4.439 14.378 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.020 3.991 15.383 1.00 0.00 O ATOM 342 OD2 ASP A 22 3.108 4.798 13.387 1.00 0.00 O ATOM 0 H ASP A 22 1.216 2.488 12.978 1.00 0.00 H new ATOM 0 HA ASP A 22 0.583 2.978 15.775 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.636 4.863 13.368 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.654 5.337 15.055 1.00 0.00 H new ATOM 347 N GLY A 23 -1.717 2.839 13.508 1.00 0.00 N ATOM 348 CA GLY A 23 -3.158 2.888 13.280 1.00 0.00 C ATOM 349 C GLY A 23 -3.633 4.329 13.111 1.00 0.00 C ATOM 350 O GLY A 23 -4.766 4.663 13.464 1.00 0.00 O ATOM 0 H GLY A 23 -1.181 2.406 12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.409 2.311 12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.679 2.425 14.118 1.00 0.00 H new ATOM 354 N ASP A 24 -2.758 5.181 12.575 1.00 0.00 N ATOM 355 CA ASP A 24 -3.091 6.592 12.372 1.00 0.00 C ATOM 356 C ASP A 24 -3.744 6.813 11.013 1.00 0.00 C ATOM 357 O ASP A 24 -4.094 7.943 10.662 1.00 0.00 O ATOM 358 CB ASP A 24 -1.826 7.451 12.473 1.00 0.00 C ATOM 359 CG ASP A 24 -0.934 7.232 11.254 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.109 6.227 10.585 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.096 8.082 11.002 1.00 0.00 O ATOM 0 H ASP A 24 -1.818 4.921 12.275 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.797 6.884 13.149 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.099 8.504 12.547 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.279 7.199 13.382 1.00 0.00 H new ATOM 366 N GLY A 25 -3.905 5.740 10.258 1.00 0.00 N ATOM 367 CA GLY A 25 -4.517 5.833 8.939 1.00 0.00 C ATOM 368 C GLY A 25 -3.501 6.274 7.892 1.00 0.00 C ATOM 369 O GLY A 25 -3.874 6.723 6.806 1.00 0.00 O ATOM 0 H GLY A 25 -3.623 4.799 10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.935 4.866 8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.345 6.542 8.968 1.00 0.00 H new ATOM 373 N CYS A 26 -2.207 6.143 8.213 1.00 0.00 N ATOM 374 CA CYS A 26 -1.155 6.531 7.276 1.00 0.00 C ATOM 375 C CYS A 26 0.053 5.606 7.396 1.00 0.00 C ATOM 376 O CYS A 26 0.567 5.374 8.494 1.00 0.00 O ATOM 377 CB CYS A 26 -0.714 7.979 7.529 1.00 0.00 C ATOM 378 SG CYS A 26 -2.172 9.023 7.774 1.00 0.00 S ATOM 0 H CYS A 26 -1.871 5.776 9.103 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.564 6.449 6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.069 8.025 8.407 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.130 8.345 6.685 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.788 8.660 8.860 1.00 0.00 H new ATOM 384 N ILE A 27 0.525 5.101 6.249 1.00 0.00 N ATOM 385 CA ILE A 27 1.702 4.230 6.225 1.00 0.00 C ATOM 386 C ILE A 27 2.867 5.059 5.724 1.00 0.00 C ATOM 387 O ILE A 27 2.700 5.881 4.819 1.00 0.00 O ATOM 388 CB ILE A 27 1.491 3.044 5.264 1.00 0.00 C ATOM 389 CG1 ILE A 27 0.193 2.308 5.616 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.661 2.055 5.365 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.087 1.244 4.550 1.00 0.00 C ATOM 0 H ILE A 27 0.112 5.280 5.334 1.00 0.00 H new ATOM 0 HA ILE A 27 1.885 3.834 7.224 1.00 0.00 H new ATOM 0 HB ILE A 27 1.433 3.436 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.279 1.842 6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.636 3.013 5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.495 1.224 4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.590 2.562 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.730 1.676 6.385 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.009 0.717 4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.191 1.723 3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.739 0.534 4.519 1.00 0.00 H new ATOM 403 N THR A 28 4.049 4.858 6.286 1.00 0.00 N ATOM 404 CA THR A 28 5.196 5.616 5.827 1.00 0.00 C ATOM 405 C THR A 28 6.230 4.623 5.310 1.00 0.00 C ATOM 406 O THR A 28 6.030 3.414 5.441 1.00 0.00 O ATOM 407 CB THR A 28 5.748 6.500 6.963 1.00 0.00 C ATOM 408 OG1 THR A 28 6.543 5.704 7.826 1.00 0.00 O ATOM 409 CG2 THR A 28 4.588 7.103 7.766 1.00 0.00 C ATOM 0 H THR A 28 4.235 4.196 7.039 1.00 0.00 H new ATOM 0 HA THR A 28 4.919 6.295 5.020 1.00 0.00 H new ATOM 0 HB THR A 28 6.347 7.303 6.535 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.898 6.261 8.550 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.985 7.726 8.567 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.967 7.710 7.108 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.987 6.301 8.195 1.00 0.00 H new ATOM 417 N THR A 29 7.321 5.108 4.731 1.00 0.00 N ATOM 418 CA THR A 29 8.352 4.207 4.196 1.00 0.00 C ATOM 419 C THR A 29 8.864 3.258 5.285 1.00 0.00 C ATOM 420 O THR A 29 9.192 2.100 5.012 1.00 0.00 O ATOM 421 CB THR A 29 9.511 5.032 3.636 1.00 0.00 C ATOM 422 OG1 THR A 29 10.086 5.797 4.683 1.00 0.00 O ATOM 423 CG2 THR A 29 8.979 5.963 2.541 1.00 0.00 C ATOM 0 H THR A 29 7.520 6.102 4.617 1.00 0.00 H new ATOM 0 HA THR A 29 7.912 3.607 3.399 1.00 0.00 H new ATOM 0 HB THR A 29 10.270 4.374 3.213 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.831 6.327 4.330 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.800 6.555 2.136 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.533 5.369 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.226 6.628 2.963 1.00 0.00 H new ATOM 431 N LYS A 30 8.904 3.755 6.524 1.00 0.00 N ATOM 432 CA LYS A 30 9.382 2.958 7.648 1.00 0.00 C ATOM 433 C LYS A 30 8.417 1.818 7.935 1.00 0.00 C ATOM 434 O LYS A 30 8.816 0.652 8.022 1.00 0.00 O ATOM 435 CB LYS A 30 9.522 3.846 8.891 1.00 0.00 C ATOM 436 CG LYS A 30 10.340 3.119 9.963 1.00 0.00 C ATOM 437 CD LYS A 30 11.830 3.370 9.717 1.00 0.00 C ATOM 438 CE LYS A 30 12.664 2.767 10.851 1.00 0.00 C ATOM 439 NZ LYS A 30 12.510 1.284 10.864 1.00 0.00 N ATOM 0 H LYS A 30 8.612 4.701 6.770 1.00 0.00 H new ATOM 0 HA LYS A 30 10.355 2.538 7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.008 4.785 8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.536 4.097 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.058 3.473 10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.130 2.050 9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.127 2.931 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.019 4.441 9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.714 3.031 10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.347 3.182 11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.214 0.868 11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.554 1.037 11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.654 0.912 9.904 1.00 0.00 H new ATOM 453 N GLU A 31 7.140 2.167 8.035 1.00 0.00 N ATOM 454 CA GLU A 31 6.099 1.194 8.308 1.00 0.00 C ATOM 455 C GLU A 31 5.945 0.295 7.096 1.00 0.00 C ATOM 456 O GLU A 31 5.906 -0.935 7.199 1.00 0.00 O ATOM 457 CB GLU A 31 4.800 1.949 8.582 1.00 0.00 C ATOM 458 CG GLU A 31 4.879 2.633 9.952 1.00 0.00 C ATOM 459 CD GLU A 31 3.650 3.506 10.165 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.745 3.424 9.351 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.622 4.232 11.146 1.00 0.00 O ATOM 0 H GLU A 31 6.803 3.124 7.930 1.00 0.00 H new ATOM 0 HA GLU A 31 6.350 0.581 9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.629 2.692 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.956 1.260 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.944 1.883 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.782 3.240 10.014 1.00 0.00 H new ATOM 468 N LEU A 32 5.915 0.934 5.934 1.00 0.00 N ATOM 469 CA LEU A 32 5.794 0.204 4.692 1.00 0.00 C ATOM 470 C LEU A 32 6.996 -0.712 4.602 1.00 0.00 C ATOM 471 O LEU A 32 6.881 -1.896 4.295 1.00 0.00 O ATOM 472 CB LEU A 32 5.743 1.196 3.515 1.00 0.00 C ATOM 473 CG LEU A 32 5.800 0.451 2.162 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.652 -0.568 2.096 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.672 1.443 0.979 1.00 0.00 C ATOM 0 H LEU A 32 5.973 1.947 5.832 1.00 0.00 H new ATOM 0 HA LEU A 32 4.878 -0.386 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.828 1.786 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.578 1.894 3.586 1.00 0.00 H new ATOM 0 HG LEU A 32 6.761 -0.058 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.688 -1.096 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.754 -1.284 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.698 -0.048 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.715 0.895 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.721 1.971 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.490 2.162 1.017 1.00 0.00 H new ATOM 487 N GLY A 33 8.160 -0.160 4.928 1.00 0.00 N ATOM 488 CA GLY A 33 9.378 -0.944 4.899 1.00 0.00 C ATOM 489 C GLY A 33 9.296 -2.064 5.931 1.00 0.00 C ATOM 490 O GLY A 33 9.697 -3.178 5.654 1.00 0.00 O ATOM 0 H GLY A 33 8.280 0.813 5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.528 -1.364 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.237 -0.306 5.108 1.00 0.00 H new ATOM 494 N THR A 34 8.728 -1.777 7.107 1.00 0.00 N ATOM 495 CA THR A 34 8.594 -2.806 8.152 1.00 0.00 C ATOM 496 C THR A 34 7.967 -4.043 7.538 1.00 0.00 C ATOM 497 O THR A 34 8.404 -5.179 7.750 1.00 0.00 O ATOM 498 CB THR A 34 7.679 -2.285 9.271 1.00 0.00 C ATOM 499 OG1 THR A 34 8.062 -0.969 9.628 1.00 0.00 O ATOM 500 CG2 THR A 34 7.755 -3.192 10.500 1.00 0.00 C ATOM 0 H THR A 34 8.359 -0.860 7.360 1.00 0.00 H new ATOM 0 HA THR A 34 9.575 -3.043 8.565 1.00 0.00 H new ATOM 0 HB THR A 34 6.653 -2.282 8.904 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.801 -0.677 9.055 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.099 -2.804 11.280 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.440 -4.200 10.229 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.780 -3.220 10.869 1.00 0.00 H new ATOM 508 N VAL A 35 6.932 -3.772 6.781 1.00 0.00 N ATOM 509 CA VAL A 35 6.179 -4.810 6.097 1.00 0.00 C ATOM 510 C VAL A 35 7.008 -5.453 4.980 1.00 0.00 C ATOM 511 O VAL A 35 7.189 -6.667 4.954 1.00 0.00 O ATOM 512 CB VAL A 35 4.905 -4.174 5.560 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.166 -5.123 4.626 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.022 -3.788 6.742 1.00 0.00 C ATOM 0 H VAL A 35 6.583 -2.828 6.618 1.00 0.00 H new ATOM 0 HA VAL A 35 5.928 -5.615 6.788 1.00 0.00 H new ATOM 0 HB VAL A 35 5.161 -3.287 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.260 -4.640 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.809 -5.378 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.899 -6.031 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.103 -3.330 6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.778 -4.679 7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.553 -3.078 7.376 1.00 0.00 H new ATOM 524 N MET A 36 7.532 -4.645 4.078 1.00 0.00 N ATOM 525 CA MET A 36 8.345 -5.176 2.983 1.00 0.00 C ATOM 526 C MET A 36 9.527 -5.976 3.549 1.00 0.00 C ATOM 527 O MET A 36 9.856 -7.067 3.072 1.00 0.00 O ATOM 528 CB MET A 36 8.842 -4.011 2.117 1.00 0.00 C ATOM 529 CG MET A 36 7.644 -3.333 1.430 1.00 0.00 C ATOM 530 SD MET A 36 6.872 -4.478 0.256 1.00 0.00 S ATOM 531 CE MET A 36 6.865 -3.372 -1.172 1.00 0.00 C ATOM 0 H MET A 36 7.416 -3.632 4.074 1.00 0.00 H new ATOM 0 HA MET A 36 7.745 -5.846 2.367 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.378 -3.289 2.733 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.546 -4.375 1.368 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.915 -3.020 2.178 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.974 -2.434 0.910 1.00 0.00 H new ATOM 0 HE1 MET A 36 6.423 -3.884 -2.027 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.280 -2.482 -0.940 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.888 -3.082 -1.412 1.00 0.00 H new ATOM 541 N ARG A 37 10.109 -5.413 4.598 1.00 0.00 N ATOM 542 CA ARG A 37 11.235 -6.025 5.316 1.00 0.00 C ATOM 543 C ARG A 37 10.846 -7.415 5.780 1.00 0.00 C ATOM 544 O ARG A 37 11.608 -8.377 5.655 1.00 0.00 O ATOM 545 CB ARG A 37 11.552 -5.185 6.559 1.00 0.00 C ATOM 546 CG ARG A 37 12.762 -5.744 7.312 1.00 0.00 C ATOM 547 CD ARG A 37 13.088 -4.811 8.484 1.00 0.00 C ATOM 548 NE ARG A 37 12.006 -4.842 9.463 1.00 0.00 N ATOM 549 CZ ARG A 37 11.988 -4.011 10.504 1.00 0.00 C ATOM 550 NH1 ARG A 37 12.932 -3.127 10.655 1.00 0.00 N ATOM 551 NH2 ARG A 37 11.015 -4.078 11.374 1.00 0.00 N ATOM 0 H ARG A 37 9.817 -4.514 4.983 1.00 0.00 H new ATOM 0 HA ARG A 37 12.098 -6.075 4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.749 -4.154 6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.685 -5.168 7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.548 -6.748 7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.619 -5.824 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.023 -5.117 8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.231 -3.793 8.120 1.00 0.00 H new ATOM 0 HE ARG A 37 11.248 -5.514 9.348 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.690 -3.069 9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.914 -2.493 11.454 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.271 -4.766 11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.000 -3.443 12.172 1.00 0.00 H new ATOM 565 N SER A 38 9.651 -7.484 6.335 1.00 0.00 N ATOM 566 CA SER A 38 9.118 -8.734 6.868 1.00 0.00 C ATOM 567 C SER A 38 8.561 -9.626 5.768 1.00 0.00 C ATOM 568 O SER A 38 8.225 -10.788 6.011 1.00 0.00 O ATOM 569 CB SER A 38 8.009 -8.431 7.879 1.00 0.00 C ATOM 570 OG SER A 38 7.010 -7.639 7.252 1.00 0.00 O ATOM 0 H SER A 38 9.023 -6.686 6.431 1.00 0.00 H new ATOM 0 HA SER A 38 9.939 -9.264 7.352 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.575 -9.359 8.250 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.420 -7.905 8.741 1.00 0.00 H new ATOM 0 HG SER A 38 7.239 -7.511 6.308 1.00 0.00 H new ATOM 576 N LEU A 39 8.439 -9.072 4.569 1.00 0.00 N ATOM 577 CA LEU A 39 7.889 -9.817 3.437 1.00 0.00 C ATOM 578 C LEU A 39 8.996 -10.373 2.539 1.00 0.00 C ATOM 579 O LEU A 39 8.849 -10.401 1.315 1.00 0.00 O ATOM 580 CB LEU A 39 6.946 -8.900 2.632 1.00 0.00 C ATOM 581 CG LEU A 39 5.676 -9.664 2.164 1.00 0.00 C ATOM 582 CD1 LEU A 39 4.698 -8.703 1.467 1.00 0.00 C ATOM 583 CD2 LEU A 39 6.029 -10.806 1.195 1.00 0.00 C ATOM 0 H LEU A 39 8.711 -8.113 4.352 1.00 0.00 H new ATOM 0 HA LEU A 39 7.328 -10.668 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.654 -8.047 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.474 -8.503 1.765 1.00 0.00 H new ATOM 0 HG LEU A 39 5.209 -10.089 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.814 -9.254 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.403 -7.917 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.183 -8.257 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.117 -11.318 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.528 -10.397 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.693 -11.513 1.693 1.00 0.00 H new ATOM 595 N GLY A 40 10.088 -10.829 3.142 1.00 0.00 N ATOM 596 CA GLY A 40 11.191 -11.400 2.366 1.00 0.00 C ATOM 597 C GLY A 40 11.740 -10.400 1.357 1.00 0.00 C ATOM 598 O GLY A 40 12.602 -10.733 0.537 1.00 0.00 O ATOM 0 H GLY A 40 10.236 -10.817 4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.988 -11.713 3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.846 -12.293 1.844 1.00 0.00 H new ATOM 602 N GLN A 41 11.234 -9.170 1.419 1.00 0.00 N ATOM 603 CA GLN A 41 11.676 -8.115 0.513 1.00 0.00 C ATOM 604 C GLN A 41 12.610 -7.169 1.262 1.00 0.00 C ATOM 605 O GLN A 41 12.498 -7.029 2.482 1.00 0.00 O ATOM 606 CB GLN A 41 10.457 -7.346 -0.005 1.00 0.00 C ATOM 607 CG GLN A 41 10.834 -6.521 -1.234 1.00 0.00 C ATOM 608 CD GLN A 41 11.092 -7.454 -2.409 1.00 0.00 C ATOM 609 OE1 GLN A 41 10.376 -8.441 -2.592 1.00 0.00 O ATOM 610 NE2 GLN A 41 12.087 -7.205 -3.216 1.00 0.00 N ATOM 0 H GLN A 41 10.519 -8.881 2.086 1.00 0.00 H new ATOM 0 HA GLN A 41 12.208 -8.551 -0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.659 -8.044 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.072 -6.691 0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.032 -5.824 -1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.723 -5.925 -1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.677 -6.387 -3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.275 -7.828 -4.002 1.00 0.00 H new ATOM 619 N ASN A 42 13.535 -6.531 0.539 1.00 0.00 N ATOM 620 CA ASN A 42 14.491 -5.603 1.161 1.00 0.00 C ATOM 621 C ASN A 42 14.682 -4.352 0.306 1.00 0.00 C ATOM 622 O ASN A 42 15.719 -4.194 -0.329 1.00 0.00 O ATOM 623 CB ASN A 42 15.849 -6.290 1.344 1.00 0.00 C ATOM 624 CG ASN A 42 16.779 -5.396 2.163 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.397 -4.914 3.229 1.00 0.00 O ATOM 626 ND2 ASN A 42 17.985 -5.149 1.727 1.00 0.00 N ATOM 0 H ASN A 42 13.644 -6.637 -0.470 1.00 0.00 H new ATOM 0 HA ASN A 42 14.086 -5.311 2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 42 15.717 -7.248 1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.295 -6.499 0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.612 -4.556 2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.300 -5.549 0.843 1.00 0.00 H new ATOM 633 N PRO A 43 13.722 -3.460 0.284 1.00 0.00 N ATOM 634 CA PRO A 43 13.828 -2.206 -0.513 1.00 0.00 C ATOM 635 C PRO A 43 14.660 -1.148 0.196 1.00 0.00 C ATOM 636 O PRO A 43 14.738 -1.127 1.428 1.00 0.00 O ATOM 637 CB PRO A 43 12.378 -1.756 -0.621 1.00 0.00 C ATOM 638 CG PRO A 43 11.752 -2.208 0.655 1.00 0.00 C ATOM 639 CD PRO A 43 12.436 -3.525 1.011 1.00 0.00 C ATOM 0 HA PRO A 43 14.320 -2.360 -1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.305 -0.675 -0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.887 -2.204 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.893 -1.469 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.677 -2.345 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.588 -3.619 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.841 -4.383 0.697 1.00 0.00 H new ATOM 647 N THR A 44 15.236 -0.234 -0.575 1.00 0.00 N ATOM 648 CA THR A 44 16.016 0.839 0.010 1.00 0.00 C ATOM 649 C THR A 44 15.096 2.031 0.185 1.00 0.00 C ATOM 650 O THR A 44 13.960 2.016 -0.294 1.00 0.00 O ATOM 651 CB THR A 44 17.208 1.204 -0.880 1.00 0.00 C ATOM 652 OG1 THR A 44 17.936 0.023 -1.190 1.00 0.00 O ATOM 653 CG2 THR A 44 18.122 2.184 -0.134 1.00 0.00 C ATOM 0 H THR A 44 15.177 -0.217 -1.593 1.00 0.00 H new ATOM 0 HA THR A 44 16.422 0.524 0.971 1.00 0.00 H new ATOM 0 HB THR A 44 16.851 1.669 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.699 0.250 -1.761 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.970 2.444 -0.767 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.563 3.087 0.113 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.483 1.719 0.783 1.00 0.00 H new ATOM 661 N GLU A 45 15.561 3.041 0.893 1.00 0.00 N ATOM 662 CA GLU A 45 14.736 4.213 1.141 1.00 0.00 C ATOM 663 C GLU A 45 14.357 4.929 -0.154 1.00 0.00 C ATOM 664 O GLU A 45 13.250 5.464 -0.265 1.00 0.00 O ATOM 665 CB GLU A 45 15.476 5.170 2.066 1.00 0.00 C ATOM 666 CG GLU A 45 15.610 4.533 3.444 1.00 0.00 C ATOM 667 CD GLU A 45 16.448 5.435 4.341 1.00 0.00 C ATOM 668 OE1 GLU A 45 16.903 6.458 3.855 1.00 0.00 O ATOM 669 OE2 GLU A 45 16.630 5.090 5.497 1.00 0.00 O ATOM 0 H GLU A 45 16.494 3.078 1.304 1.00 0.00 H new ATOM 0 HA GLU A 45 13.812 3.879 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.462 5.398 1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.936 6.114 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.624 4.380 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.077 3.552 3.359 1.00 0.00 H new ATOM 676 N ALA A 46 15.247 4.924 -1.141 1.00 0.00 N ATOM 677 CA ALA A 46 14.942 5.571 -2.412 1.00 0.00 C ATOM 678 C ALA A 46 13.739 4.908 -3.055 1.00 0.00 C ATOM 679 O ALA A 46 12.844 5.573 -3.589 1.00 0.00 O ATOM 680 CB ALA A 46 16.130 5.450 -3.365 1.00 0.00 C ATOM 0 H ALA A 46 16.168 4.488 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 46 14.730 6.623 -2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.889 5.937 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.003 5.930 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.347 4.397 -3.544 1.00 0.00 H new ATOM 686 N GLU A 47 13.760 3.583 -3.022 1.00 0.00 N ATOM 687 CA GLU A 47 12.709 2.780 -3.609 1.00 0.00 C ATOM 688 C GLU A 47 11.362 3.072 -2.949 1.00 0.00 C ATOM 689 O GLU A 47 10.373 3.352 -3.636 1.00 0.00 O ATOM 690 CB GLU A 47 13.108 1.311 -3.452 1.00 0.00 C ATOM 691 CG GLU A 47 14.115 0.971 -4.560 1.00 0.00 C ATOM 692 CD GLU A 47 15.335 1.885 -4.494 1.00 0.00 C ATOM 693 OE1 GLU A 47 15.209 3.044 -4.857 1.00 0.00 O ATOM 694 OE2 GLU A 47 16.382 1.409 -4.084 1.00 0.00 O ATOM 0 H GLU A 47 14.506 3.040 -2.588 1.00 0.00 H new ATOM 0 HA GLU A 47 12.590 3.020 -4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.549 1.139 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.231 0.668 -3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.430 -0.068 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.636 1.069 -5.534 1.00 0.00 H new ATOM 701 N LEU A 48 11.325 3.010 -1.622 1.00 0.00 N ATOM 702 CA LEU A 48 10.087 3.262 -0.879 1.00 0.00 C ATOM 703 C LEU A 48 9.565 4.669 -1.112 1.00 0.00 C ATOM 704 O LEU A 48 8.361 4.880 -1.287 1.00 0.00 O ATOM 705 CB LEU A 48 10.349 3.116 0.615 1.00 0.00 C ATOM 706 CG LEU A 48 10.876 1.720 0.910 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.214 1.631 2.405 1.00 0.00 C ATOM 708 CD2 LEU A 48 9.818 0.655 0.526 1.00 0.00 C ATOM 0 H LEU A 48 12.131 2.789 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 48 9.350 2.540 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.071 3.864 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.430 3.294 1.174 1.00 0.00 H new ATOM 0 HG LEU A 48 11.773 1.529 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.594 0.635 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.973 2.374 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.316 1.821 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.208 -0.340 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.908 0.821 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.593 0.733 -0.538 1.00 0.00 H new ATOM 720 N GLN A 49 10.486 5.620 -1.128 1.00 0.00 N ATOM 721 CA GLN A 49 10.133 7.015 -1.363 1.00 0.00 C ATOM 722 C GLN A 49 9.576 7.174 -2.768 1.00 0.00 C ATOM 723 O GLN A 49 8.555 7.833 -2.982 1.00 0.00 O ATOM 724 CB GLN A 49 11.377 7.889 -1.207 1.00 0.00 C ATOM 725 CG GLN A 49 11.002 9.366 -1.317 1.00 0.00 C ATOM 726 CD GLN A 49 12.224 10.221 -1.004 1.00 0.00 C ATOM 727 OE1 GLN A 49 13.301 9.686 -0.732 1.00 0.00 O ATOM 728 NE2 GLN A 49 12.128 11.522 -1.016 1.00 0.00 N ATOM 0 H GLN A 49 11.482 5.454 -0.982 1.00 0.00 H new ATOM 0 HA GLN A 49 9.378 7.322 -0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.847 7.697 -0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.108 7.634 -1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.637 9.587 -2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.193 9.600 -0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.237 11.966 -1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.943 12.096 -0.801 1.00 0.00 H new ATOM 737 N ASP A 50 10.268 6.560 -3.717 1.00 0.00 N ATOM 738 CA ASP A 50 9.877 6.602 -5.102 1.00 0.00 C ATOM 739 C ASP A 50 8.551 5.873 -5.294 1.00 0.00 C ATOM 740 O ASP A 50 7.703 6.302 -6.075 1.00 0.00 O ATOM 741 CB ASP A 50 10.983 5.962 -5.931 1.00 0.00 C ATOM 742 CG ASP A 50 12.190 6.898 -5.986 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.063 8.028 -5.543 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.224 6.473 -6.479 1.00 0.00 O ATOM 0 H ASP A 50 11.115 6.021 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 50 9.734 7.633 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.271 5.006 -5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.623 5.757 -6.939 1.00 0.00 H new ATOM 749 N MET A 51 8.380 4.777 -4.559 1.00 0.00 N ATOM 750 CA MET A 51 7.154 3.995 -4.638 1.00 0.00 C ATOM 751 C MET A 51 5.973 4.852 -4.199 1.00 0.00 C ATOM 752 O MET A 51 4.919 4.864 -4.832 1.00 0.00 O ATOM 753 CB MET A 51 7.268 2.775 -3.726 1.00 0.00 C ATOM 754 CG MET A 51 8.024 1.660 -4.449 1.00 0.00 C ATOM 755 SD MET A 51 6.986 0.993 -5.777 1.00 0.00 S ATOM 756 CE MET A 51 6.269 -0.394 -4.853 1.00 0.00 C ATOM 0 H MET A 51 9.073 4.413 -3.905 1.00 0.00 H new ATOM 0 HA MET A 51 6.999 3.666 -5.666 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.788 3.044 -2.807 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.275 2.428 -3.440 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.957 2.045 -4.860 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.288 0.869 -3.747 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.587 -0.947 -5.498 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.066 -1.057 -4.515 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.723 -0.013 -3.990 1.00 0.00 H new ATOM 766 N ILE A 52 6.196 5.592 -3.117 1.00 0.00 N ATOM 767 CA ILE A 52 5.202 6.500 -2.555 1.00 0.00 C ATOM 768 C ILE A 52 4.924 7.662 -3.510 1.00 0.00 C ATOM 769 O ILE A 52 3.774 8.062 -3.707 1.00 0.00 O ATOM 770 CB ILE A 52 5.716 7.009 -1.190 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.470 5.937 -0.128 1.00 0.00 C ATOM 772 CG2 ILE A 52 5.007 8.294 -0.762 1.00 0.00 C ATOM 773 CD1 ILE A 52 6.088 6.377 1.197 1.00 0.00 C ATOM 0 H ILE A 52 7.077 5.578 -2.603 1.00 0.00 H new ATOM 0 HA ILE A 52 4.259 5.971 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 52 6.781 7.220 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.400 5.772 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.904 4.989 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.396 8.620 0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.182 9.071 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.936 8.108 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.912 5.612 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.161 6.520 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.633 7.314 1.517 1.00 0.00 H new ATOM 785 N ASN A 53 5.997 8.208 -4.075 1.00 0.00 N ATOM 786 CA ASN A 53 5.903 9.342 -4.996 1.00 0.00 C ATOM 787 C ASN A 53 5.146 9.018 -6.298 1.00 0.00 C ATOM 788 O ASN A 53 4.450 9.883 -6.833 1.00 0.00 O ATOM 789 CB ASN A 53 7.313 9.844 -5.324 1.00 0.00 C ATOM 790 CG ASN A 53 7.925 10.520 -4.099 1.00 0.00 C ATOM 791 OD1 ASN A 53 7.247 10.702 -3.086 1.00 0.00 O ATOM 792 ND2 ASN A 53 9.167 10.917 -4.137 1.00 0.00 N ATOM 0 H ASN A 53 6.950 7.882 -3.911 1.00 0.00 H new ATOM 0 HA ASN A 53 5.324 10.115 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.940 9.011 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.273 10.547 -6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.580 11.379 -3.327 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.726 10.765 -4.977 1.00 0.00 H new ATOM 799 N GLU A 54 5.274 7.791 -6.822 1.00 0.00 N ATOM 800 CA GLU A 54 4.594 7.423 -8.043 1.00 0.00 C ATOM 801 C GLU A 54 3.094 7.310 -7.800 1.00 0.00 C ATOM 802 O GLU A 54 2.277 7.582 -8.680 1.00 0.00 O ATOM 803 CB GLU A 54 5.178 6.078 -8.515 1.00 0.00 C ATOM 804 CG GLU A 54 4.290 5.428 -9.572 1.00 0.00 C ATOM 805 CD GLU A 54 4.079 6.380 -10.745 1.00 0.00 C ATOM 806 OE1 GLU A 54 5.063 6.779 -11.347 1.00 0.00 O ATOM 807 OE2 GLU A 54 2.935 6.700 -11.022 1.00 0.00 O ATOM 0 H GLU A 54 5.842 7.050 -6.412 1.00 0.00 H new ATOM 0 HA GLU A 54 4.742 8.184 -8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.176 6.236 -8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.284 5.406 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.748 4.503 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.328 5.161 -9.134 1.00 0.00 H new ATOM 814 N VAL A 55 2.766 6.879 -6.601 1.00 0.00 N ATOM 815 CA VAL A 55 1.387 6.656 -6.194 1.00 0.00 C ATOM 816 C VAL A 55 0.904 7.849 -5.421 1.00 0.00 C ATOM 817 O VAL A 55 -0.259 7.910 -5.029 1.00 0.00 O ATOM 818 CB VAL A 55 1.352 5.447 -5.267 1.00 0.00 C ATOM 819 CG1 VAL A 55 -0.042 5.271 -4.656 1.00 0.00 C ATOM 820 CG2 VAL A 55 1.731 4.193 -6.072 1.00 0.00 C ATOM 0 H VAL A 55 3.450 6.671 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 55 0.760 6.495 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 55 2.062 5.599 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.044 4.402 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.303 6.161 -4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.772 5.125 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.709 3.321 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.019 4.054 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.733 4.314 -6.483 1.00 0.00 H new ATOM 830 N ASP A 56 1.797 8.787 -5.176 1.00 0.00 N ATOM 831 CA ASP A 56 1.453 9.969 -4.416 1.00 0.00 C ATOM 832 C ASP A 56 0.430 10.829 -5.169 1.00 0.00 C ATOM 833 O ASP A 56 0.522 12.055 -5.186 1.00 0.00 O ATOM 834 CB ASP A 56 2.774 10.725 -4.146 1.00 0.00 C ATOM 835 CG ASP A 56 2.538 12.116 -3.529 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.928 12.194 -2.475 1.00 0.00 O ATOM 837 OD2 ASP A 56 2.995 13.084 -4.114 1.00 0.00 O ATOM 0 H ASP A 56 2.766 8.752 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 56 0.976 9.708 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.397 10.134 -3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.325 10.833 -5.080 1.00 0.00 H new ATOM 842 N ALA A 57 -0.553 10.167 -5.778 1.00 0.00 N ATOM 843 CA ALA A 57 -1.606 10.867 -6.513 1.00 0.00 C ATOM 844 C ALA A 57 -2.266 11.922 -5.630 1.00 0.00 C ATOM 845 O ALA A 57 -2.825 12.904 -6.124 1.00 0.00 O ATOM 846 CB ALA A 57 -2.677 9.872 -6.960 1.00 0.00 C ATOM 0 H ALA A 57 -0.642 9.151 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.152 11.348 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.458 10.400 -7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.227 9.119 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.111 9.387 -6.086 1.00 0.00 H new ATOM 852 N ASP A 58 -2.207 11.686 -4.322 1.00 0.00 N ATOM 853 CA ASP A 58 -2.802 12.595 -3.334 1.00 0.00 C ATOM 854 C ASP A 58 -1.896 13.791 -3.063 1.00 0.00 C ATOM 855 O ASP A 58 -2.365 14.928 -2.985 1.00 0.00 O ATOM 856 CB ASP A 58 -3.055 11.841 -2.029 1.00 0.00 C ATOM 857 CG ASP A 58 -1.933 10.839 -1.778 1.00 0.00 C ATOM 858 OD1 ASP A 58 -2.022 9.740 -2.298 1.00 0.00 O ATOM 859 OD2 ASP A 58 -1.002 11.187 -1.069 1.00 0.00 O ATOM 0 H ASP A 58 -1.751 10.869 -3.915 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.744 12.965 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.117 12.545 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.012 11.322 -2.079 1.00 0.00 H new ATOM 864 N GLY A 59 -0.599 13.536 -2.922 1.00 0.00 N ATOM 865 CA GLY A 59 0.354 14.612 -2.671 1.00 0.00 C ATOM 866 C GLY A 59 0.561 14.843 -1.183 1.00 0.00 C ATOM 867 O GLY A 59 0.599 15.987 -0.726 1.00 0.00 O ATOM 0 H GLY A 59 -0.187 12.605 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.309 14.369 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.004 15.531 -3.136 1.00 0.00 H new ATOM 871 N ASN A 60 0.696 13.752 -0.429 1.00 0.00 N ATOM 872 CA ASN A 60 0.910 13.843 1.015 1.00 0.00 C ATOM 873 C ASN A 60 2.189 13.113 1.434 1.00 0.00 C ATOM 874 O ASN A 60 2.689 13.322 2.542 1.00 0.00 O ATOM 875 CB ASN A 60 -0.286 13.243 1.754 1.00 0.00 C ATOM 876 CG ASN A 60 -0.427 11.765 1.409 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.542 11.125 1.003 1.00 0.00 O ATOM 878 ND2 ASN A 60 -1.589 11.185 1.545 1.00 0.00 N ATOM 0 H ASN A 60 0.661 12.799 -0.792 1.00 0.00 H new ATOM 0 HA ASN A 60 1.016 14.896 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.156 13.363 2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.197 13.777 1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.696 10.197 1.314 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.390 11.720 1.882 1.00 0.00 H new ATOM 885 N GLY A 61 2.729 12.268 0.549 1.00 0.00 N ATOM 886 CA GLY A 61 3.956 11.547 0.857 1.00 0.00 C ATOM 887 C GLY A 61 3.696 10.352 1.765 1.00 0.00 C ATOM 888 O GLY A 61 4.631 9.670 2.187 1.00 0.00 O ATOM 0 H GLY A 61 2.338 12.072 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.420 11.206 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.664 12.222 1.338 1.00 0.00 H new ATOM 892 N THR A 62 2.425 10.080 2.040 1.00 0.00 N ATOM 893 CA THR A 62 2.058 8.934 2.866 1.00 0.00 C ATOM 894 C THR A 62 0.885 8.218 2.224 1.00 0.00 C ATOM 895 O THR A 62 0.253 8.753 1.308 1.00 0.00 O ATOM 896 CB THR A 62 1.750 9.367 4.303 1.00 0.00 C ATOM 897 OG1 THR A 62 0.702 10.328 4.318 1.00 0.00 O ATOM 898 CG2 THR A 62 3.016 9.968 4.905 1.00 0.00 C ATOM 0 H THR A 62 1.636 10.633 1.706 1.00 0.00 H new ATOM 0 HA THR A 62 2.898 8.242 2.926 1.00 0.00 H new ATOM 0 HB THR A 62 1.428 8.505 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.515 10.594 5.243 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.818 10.283 5.929 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.810 9.221 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.326 10.830 4.314 1.00 0.00 H new ATOM 906 N ILE A 63 0.626 6.993 2.658 1.00 0.00 N ATOM 907 CA ILE A 63 -0.451 6.209 2.067 1.00 0.00 C ATOM 908 C ILE A 63 -1.716 6.240 2.910 1.00 0.00 C ATOM 909 O ILE A 63 -1.717 5.791 4.065 1.00 0.00 O ATOM 910 CB ILE A 63 0.008 4.758 1.938 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.467 4.738 1.459 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.865 4.012 0.930 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.907 3.294 1.215 1.00 0.00 C ATOM 0 H ILE A 63 1.138 6.525 3.406 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.682 6.644 1.095 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.077 4.267 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.567 5.319 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.111 5.204 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.526 2.979 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.902 4.028 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.791 4.496 -0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.943 3.282 0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.822 2.726 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.270 2.843 0.454 1.00 0.00 H new ATOM 925 N ASP A 64 -2.805 6.703 2.299 1.00 0.00 N ATOM 926 CA ASP A 64 -4.083 6.729 2.969 1.00 0.00 C ATOM 927 C ASP A 64 -4.818 5.501 2.458 1.00 0.00 C ATOM 928 O ASP A 64 -4.482 5.012 1.381 1.00 0.00 O ATOM 929 CB ASP A 64 -4.854 8.005 2.595 1.00 0.00 C ATOM 930 CG ASP A 64 -4.133 9.241 3.132 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.292 9.087 4.001 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.436 10.323 2.660 1.00 0.00 O ATOM 0 H ASP A 64 -2.818 7.062 1.344 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.979 6.725 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.950 8.075 1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.864 7.960 3.003 1.00 0.00 H new ATOM 937 N PHE A 65 -5.806 4.972 3.155 1.00 0.00 N ATOM 938 CA PHE A 65 -6.476 3.797 2.614 1.00 0.00 C ATOM 939 C PHE A 65 -6.779 3.953 1.096 1.00 0.00 C ATOM 940 O PHE A 65 -6.420 3.080 0.308 1.00 0.00 O ATOM 941 CB PHE A 65 -7.757 3.471 3.377 1.00 0.00 C ATOM 942 CG PHE A 65 -8.401 2.318 2.652 1.00 0.00 C ATOM 943 CD1 PHE A 65 -7.697 1.117 2.499 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.656 2.476 2.069 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.258 0.072 1.767 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.216 1.433 1.329 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.518 0.230 1.178 1.00 0.00 C ATOM 0 H PHE A 65 -6.152 5.313 4.052 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.785 2.963 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.537 3.205 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.423 4.333 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.721 1.001 2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.195 3.404 2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.721 -0.858 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.188 1.555 0.873 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.952 -0.577 0.607 1.00 0.00 H new ATOM 957 N PRO A 66 -7.443 4.996 0.647 1.00 0.00 N ATOM 958 CA PRO A 66 -7.753 5.153 -0.817 1.00 0.00 C ATOM 959 C PRO A 66 -6.485 5.137 -1.680 1.00 0.00 C ATOM 960 O PRO A 66 -6.450 4.513 -2.748 1.00 0.00 O ATOM 961 CB PRO A 66 -8.458 6.517 -0.880 1.00 0.00 C ATOM 962 CG PRO A 66 -8.009 7.205 0.360 1.00 0.00 C ATOM 963 CD PRO A 66 -7.979 6.127 1.422 1.00 0.00 C ATOM 0 HA PRO A 66 -8.360 4.336 -1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.173 7.074 -1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.542 6.406 -0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.025 7.654 0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.692 8.009 0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.339 6.393 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.969 5.918 1.828 1.00 0.00 H new ATOM 971 N GLU A 67 -5.433 5.795 -1.193 1.00 0.00 N ATOM 972 CA GLU A 67 -4.174 5.825 -1.920 1.00 0.00 C ATOM 973 C GLU A 67 -3.661 4.404 -2.007 1.00 0.00 C ATOM 974 O GLU A 67 -3.000 4.004 -2.960 1.00 0.00 O ATOM 975 CB GLU A 67 -3.162 6.696 -1.166 1.00 0.00 C ATOM 976 CG GLU A 67 -1.833 6.709 -1.923 1.00 0.00 C ATOM 977 CD GLU A 67 -0.857 7.658 -1.239 1.00 0.00 C ATOM 978 OE1 GLU A 67 -1.305 8.470 -0.448 1.00 0.00 O ATOM 979 OE2 GLU A 67 0.324 7.562 -1.520 1.00 0.00 O ATOM 0 H GLU A 67 -5.431 6.306 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.316 6.243 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.545 7.712 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.014 6.309 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.413 5.704 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.995 7.021 -2.955 1.00 0.00 H new ATOM 986 N PHE A 68 -3.982 3.663 -0.976 1.00 0.00 N ATOM 987 CA PHE A 68 -3.564 2.275 -0.881 1.00 0.00 C ATOM 988 C PHE A 68 -4.355 1.428 -1.882 1.00 0.00 C ATOM 989 O PHE A 68 -3.865 0.400 -2.335 1.00 0.00 O ATOM 990 CB PHE A 68 -3.715 1.787 0.562 1.00 0.00 C ATOM 991 CG PHE A 68 -3.584 0.290 0.656 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.312 -0.282 0.714 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.721 -0.532 0.631 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.172 -1.666 0.751 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.571 -1.925 0.658 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.292 -2.487 0.718 1.00 0.00 C ATOM 0 H PHE A 68 -4.534 3.994 -0.184 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.510 2.177 -1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.958 2.259 1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.686 2.093 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.436 0.350 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.707 -0.093 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.187 -2.104 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.442 -2.563 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.175 -3.560 0.739 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.565 1.864 -2.253 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.351 1.132 -3.254 1.00 0.00 C ATOM 1008 C LEU A 69 -5.798 1.390 -4.661 1.00 0.00 C ATOM 1009 O LEU A 69 -5.812 0.504 -5.511 1.00 0.00 O ATOM 1010 CB LEU A 69 -7.835 1.573 -3.187 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.639 0.676 -2.223 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -9.887 1.415 -1.734 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -9.086 -0.588 -2.972 1.00 0.00 C ATOM 0 H LEU A 69 -6.014 2.702 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.282 0.066 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.895 2.610 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.276 1.529 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.010 0.417 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.447 0.773 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.590 2.325 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.514 1.675 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.655 -1.228 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.711 -0.307 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.209 -1.127 -3.331 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.297 2.598 -4.882 1.00 0.00 N ATOM 1026 CA ASN A 70 -4.731 2.969 -6.178 1.00 0.00 C ATOM 1027 C ASN A 70 -3.540 2.057 -6.470 1.00 0.00 C ATOM 1028 O ASN A 70 -3.345 1.552 -7.579 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.242 4.419 -6.074 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.384 5.422 -6.135 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -6.469 5.117 -6.631 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -5.179 6.625 -5.666 1.00 0.00 N ATOM 0 H ASN A 70 -5.270 3.340 -4.182 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.471 2.870 -6.972 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.697 4.550 -5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.540 4.622 -6.883 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.922 7.322 -5.709 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.276 6.866 -5.257 1.00 0.00 H new ATOM 1039 N LEU A 71 -2.781 1.869 -5.408 1.00 0.00 N ATOM 1040 CA LEU A 71 -1.586 1.042 -5.388 1.00 0.00 C ATOM 1041 C LEU A 71 -1.926 -0.392 -5.802 1.00 0.00 C ATOM 1042 O LEU A 71 -1.500 -0.885 -6.860 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.087 1.137 -3.937 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.209 -0.026 -3.502 1.00 0.00 C ATOM 1045 CD1 LEU A 71 1.070 -0.055 -4.325 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.147 0.201 -2.030 1.00 0.00 C ATOM 0 H LEU A 71 -2.984 2.300 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.819 1.368 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.527 2.065 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.948 1.196 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.733 -0.971 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.690 -0.892 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.821 -0.171 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.616 0.877 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.779 -0.615 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.682 1.145 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.766 0.235 -1.436 1.00 0.00 H new ATOM 1058 N MET A 72 -2.751 -1.020 -4.977 1.00 0.00 N ATOM 1059 CA MET A 72 -3.219 -2.380 -5.219 1.00 0.00 C ATOM 1060 C MET A 72 -4.069 -2.456 -6.499 1.00 0.00 C ATOM 1061 O MET A 72 -4.058 -3.468 -7.205 1.00 0.00 O ATOM 1062 CB MET A 72 -4.072 -2.830 -4.004 1.00 0.00 C ATOM 1063 CG MET A 72 -3.284 -2.742 -2.697 1.00 0.00 C ATOM 1064 SD MET A 72 -1.818 -3.791 -2.794 1.00 0.00 S ATOM 1065 CE MET A 72 -2.597 -5.293 -2.158 1.00 0.00 C ATOM 0 H MET A 72 -3.116 -0.603 -4.121 1.00 0.00 H new ATOM 0 HA MET A 72 -2.357 -3.034 -5.348 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.963 -2.207 -3.934 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.411 -3.855 -4.157 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.991 -1.709 -2.507 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.911 -3.054 -1.862 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.863 -6.098 -2.127 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.976 -5.109 -1.153 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.422 -5.579 -2.810 1.00 0.00 H new ATOM 1075 N ALA A 73 -4.797 -1.377 -6.785 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.633 -1.327 -7.979 1.00 0.00 C ATOM 1077 C ALA A 73 -4.776 -1.415 -9.231 1.00 0.00 C ATOM 1078 O ALA A 73 -5.047 -2.218 -10.127 1.00 0.00 O ATOM 1079 CB ALA A 73 -6.446 -0.034 -8.012 1.00 0.00 C ATOM 0 H ALA A 73 -4.824 -0.534 -6.211 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.315 -2.177 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.063 -0.015 -8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.086 0.016 -7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.770 0.821 -8.019 1.00 0.00 H new