USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=12 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 60 ASN : amide:sc= -6.85! C(o=-6.8!,f=-23!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 36 MET CE :methyl 160:sc= -1.65 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.85 K(o=-3.5,f=-17!) USER MOD Set 2.3: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.00128) USER MOD Set 3.2: A 34 THR OG1 : rot 5:sc= -0.0865 USER MOD Single : A 5 THR OG1 : rot 27:sc= 0.212 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 13:sc= -2.36! USER MOD Single : A 28 THR OG1 : rot -120:sc= -0.854 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.738 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -27:sc= 0.131 USER MOD Single : A 42 ASN : amide:sc= -2.05! C(o=-2.1!,f=-5.4!) USER MOD Single : A 44 THR OG1 : rot 96:sc= 0.216 USER MOD Single : A 49 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.4!) USER MOD Single : A 53 ASN : amide:sc= -0.0993 X(o=-0.099,f=-0.099) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -15.363 -6.467 -5.063 1.00 0.00 N ATOM 62 CA THR A 5 -16.104 -7.250 -4.066 1.00 0.00 C ATOM 63 C THR A 5 -15.815 -6.752 -2.652 1.00 0.00 C ATOM 64 O THR A 5 -14.951 -5.905 -2.442 1.00 0.00 O ATOM 65 CB THR A 5 -15.713 -8.734 -4.171 1.00 0.00 C ATOM 66 OG1 THR A 5 -15.847 -9.169 -5.515 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.606 -9.598 -3.256 1.00 0.00 C ATOM 0 HA THR A 5 -17.169 -7.132 -4.267 1.00 0.00 H new ATOM 0 HB THR A 5 -14.677 -8.844 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.728 -8.407 -6.119 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.313 -10.644 -3.345 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.488 -9.275 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.648 -9.486 -3.554 1.00 0.00 H new ATOM 75 N ASP A 6 -16.526 -7.320 -1.685 1.00 0.00 N ATOM 76 CA ASP A 6 -16.335 -6.962 -0.281 1.00 0.00 C ATOM 77 C ASP A 6 -15.025 -7.544 0.236 1.00 0.00 C ATOM 78 O ASP A 6 -14.281 -6.893 0.969 1.00 0.00 O ATOM 79 CB ASP A 6 -17.486 -7.524 0.550 1.00 0.00 C ATOM 80 CG ASP A 6 -17.643 -9.020 0.280 1.00 0.00 C ATOM 81 OD1 ASP A 6 -16.791 -9.773 0.724 1.00 0.00 O ATOM 82 OD2 ASP A 6 -18.612 -9.390 -0.362 1.00 0.00 O ATOM 0 H ASP A 6 -17.240 -8.030 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.308 -5.876 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.297 -7.355 1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.411 -7.003 0.305 1.00 0.00 H new ATOM 87 N GLU A 7 -14.762 -8.788 -0.150 1.00 0.00 N ATOM 88 CA GLU A 7 -13.556 -9.479 0.276 1.00 0.00 C ATOM 89 C GLU A 7 -12.318 -8.786 -0.278 1.00 0.00 C ATOM 90 O GLU A 7 -11.320 -8.632 0.419 1.00 0.00 O ATOM 91 CB GLU A 7 -13.604 -10.941 -0.209 1.00 0.00 C ATOM 92 CG GLU A 7 -13.342 -10.998 -1.719 1.00 0.00 C ATOM 93 CD GLU A 7 -13.731 -12.360 -2.285 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.247 -13.355 -1.772 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.505 -12.387 -3.227 1.00 0.00 O ATOM 0 H GLU A 7 -15.370 -9.337 -0.758 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.502 -9.458 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.859 -11.534 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.577 -11.377 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.910 -10.215 -2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.288 -10.804 -1.917 1.00 0.00 H new ATOM 102 N GLN A 8 -12.391 -8.353 -1.530 1.00 0.00 N ATOM 103 CA GLN A 8 -11.266 -7.669 -2.150 1.00 0.00 C ATOM 104 C GLN A 8 -11.070 -6.297 -1.529 1.00 0.00 C ATOM 105 O GLN A 8 -9.939 -5.843 -1.319 1.00 0.00 O ATOM 106 CB GLN A 8 -11.505 -7.531 -3.664 1.00 0.00 C ATOM 107 CG GLN A 8 -11.355 -8.899 -4.340 1.00 0.00 C ATOM 108 CD GLN A 8 -11.683 -8.796 -5.829 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.563 -8.030 -6.223 1.00 0.00 O ATOM 110 NE2 GLN A 8 -11.022 -9.530 -6.686 1.00 0.00 N ATOM 0 H GLN A 8 -13.209 -8.462 -2.130 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.365 -8.259 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.502 -7.131 -3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.794 -6.824 -4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.337 -9.266 -4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.018 -9.622 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.293 -10.164 -6.359 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.235 -9.468 -7.682 1.00 0.00 H new ATOM 119 N ILE A 9 -12.176 -5.672 -1.169 1.00 0.00 N ATOM 120 CA ILE A 9 -12.114 -4.369 -0.527 1.00 0.00 C ATOM 121 C ILE A 9 -11.618 -4.509 0.904 1.00 0.00 C ATOM 122 O ILE A 9 -10.627 -3.891 1.290 1.00 0.00 O ATOM 123 CB ILE A 9 -13.499 -3.705 -0.558 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.798 -3.258 -1.992 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.536 -2.490 0.383 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.280 -2.897 -2.125 1.00 0.00 C ATOM 0 H ILE A 9 -13.118 -6.039 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.412 -3.737 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.250 -4.421 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.180 -2.398 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.544 -4.055 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.525 -2.033 0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.321 -2.812 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.788 -1.762 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.487 -2.580 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.890 -3.768 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.520 -2.086 -1.438 1.00 0.00 H new ATOM 138 N SER A 10 -12.321 -5.313 1.689 1.00 0.00 N ATOM 139 CA SER A 10 -11.942 -5.499 3.083 1.00 0.00 C ATOM 140 C SER A 10 -10.512 -6.007 3.172 1.00 0.00 C ATOM 141 O SER A 10 -9.712 -5.480 3.948 1.00 0.00 O ATOM 142 CB SER A 10 -12.877 -6.482 3.776 1.00 0.00 C ATOM 143 OG SER A 10 -12.295 -6.887 5.008 1.00 0.00 O ATOM 0 H SER A 10 -13.143 -5.839 1.392 1.00 0.00 H new ATOM 0 HA SER A 10 -12.018 -4.535 3.585 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.847 -6.017 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.050 -7.349 3.139 1.00 0.00 H new ATOM 0 HG SER A 10 -12.892 -7.519 5.460 1.00 0.00 H new ATOM 149 N GLU A 11 -10.180 -7.013 2.361 1.00 0.00 N ATOM 150 CA GLU A 11 -8.828 -7.550 2.358 1.00 0.00 C ATOM 151 C GLU A 11 -7.828 -6.414 2.248 1.00 0.00 C ATOM 152 O GLU A 11 -6.860 -6.360 3.004 1.00 0.00 O ATOM 153 CB GLU A 11 -8.653 -8.511 1.176 1.00 0.00 C ATOM 154 CG GLU A 11 -7.206 -9.018 1.102 1.00 0.00 C ATOM 155 CD GLU A 11 -7.071 -10.007 -0.047 1.00 0.00 C ATOM 156 OE1 GLU A 11 -8.089 -10.488 -0.511 1.00 0.00 O ATOM 157 OE2 GLU A 11 -5.947 -10.275 -0.444 1.00 0.00 O ATOM 0 H GLU A 11 -10.822 -7.464 1.709 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.655 -8.093 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.335 -9.355 1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.915 -8.005 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.523 -8.181 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.929 -9.496 2.041 1.00 0.00 H new ATOM 164 N PHE A 12 -8.083 -5.483 1.330 1.00 0.00 N ATOM 165 CA PHE A 12 -7.205 -4.333 1.166 1.00 0.00 C ATOM 166 C PHE A 12 -7.276 -3.441 2.397 1.00 0.00 C ATOM 167 O PHE A 12 -6.257 -3.009 2.935 1.00 0.00 O ATOM 168 CB PHE A 12 -7.658 -3.564 -0.086 1.00 0.00 C ATOM 169 CG PHE A 12 -7.422 -4.394 -1.360 1.00 0.00 C ATOM 170 CD1 PHE A 12 -6.368 -5.345 -1.464 1.00 0.00 C ATOM 171 CD2 PHE A 12 -8.281 -4.216 -2.459 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.197 -6.074 -2.646 1.00 0.00 C ATOM 173 CE2 PHE A 12 -8.097 -4.960 -3.634 1.00 0.00 C ATOM 174 CZ PHE A 12 -7.051 -5.885 -3.722 1.00 0.00 C ATOM 0 H PHE A 12 -8.882 -5.504 0.696 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.171 -4.658 1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.716 -3.315 -0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.113 -2.622 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.700 -5.504 -0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.088 -3.501 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.392 -6.791 -2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.764 -4.819 -4.472 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.908 -6.453 -4.630 1.00 0.00 H new ATOM 184 N LYS A 13 -8.484 -3.167 2.833 1.00 0.00 N ATOM 185 CA LYS A 13 -8.695 -2.317 3.986 1.00 0.00 C ATOM 186 C LYS A 13 -8.086 -2.921 5.257 1.00 0.00 C ATOM 187 O LYS A 13 -7.411 -2.228 6.019 1.00 0.00 O ATOM 188 CB LYS A 13 -10.199 -2.137 4.155 1.00 0.00 C ATOM 189 CG LYS A 13 -10.510 -0.894 4.975 1.00 0.00 C ATOM 190 CD LYS A 13 -12.026 -0.693 4.987 1.00 0.00 C ATOM 191 CE LYS A 13 -12.372 0.553 5.793 1.00 0.00 C ATOM 192 NZ LYS A 13 -13.822 0.528 6.143 1.00 0.00 N ATOM 0 H LYS A 13 -9.340 -3.521 2.406 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.202 -1.358 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.672 -2.059 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.621 -3.015 4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.134 -1.006 5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.015 -0.023 4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.397 -0.593 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.515 -1.566 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.768 0.593 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.141 1.449 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.061 1.378 6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.389 0.509 5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.028 -0.320 6.709 1.00 0.00 H new ATOM 206 N GLU A 14 -8.320 -4.215 5.481 1.00 0.00 N ATOM 207 CA GLU A 14 -7.781 -4.875 6.664 1.00 0.00 C ATOM 208 C GLU A 14 -6.264 -4.912 6.567 1.00 0.00 C ATOM 209 O GLU A 14 -5.556 -4.673 7.543 1.00 0.00 O ATOM 210 CB GLU A 14 -8.334 -6.300 6.765 1.00 0.00 C ATOM 211 CG GLU A 14 -7.864 -6.961 8.069 1.00 0.00 C ATOM 212 CD GLU A 14 -8.555 -6.317 9.265 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.446 -5.513 9.050 1.00 0.00 O ATOM 214 OE2 GLU A 14 -8.183 -6.641 10.380 1.00 0.00 O ATOM 0 H GLU A 14 -8.871 -4.816 4.868 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.075 -4.322 7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.423 -6.278 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.001 -6.888 5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.084 -8.028 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.783 -6.861 8.167 1.00 0.00 H new ATOM 221 N ALA A 15 -5.782 -5.213 5.371 1.00 0.00 N ATOM 222 CA ALA A 15 -4.352 -5.279 5.127 1.00 0.00 C ATOM 223 C ALA A 15 -3.704 -3.927 5.386 1.00 0.00 C ATOM 224 O ALA A 15 -2.652 -3.840 6.010 1.00 0.00 O ATOM 225 CB ALA A 15 -4.102 -5.678 3.671 1.00 0.00 C ATOM 0 H ALA A 15 -6.361 -5.415 4.556 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.918 -6.018 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.029 -5.728 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.549 -6.653 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.550 -4.937 3.009 1.00 0.00 H new ATOM 231 N PHE A 16 -4.321 -2.876 4.877 1.00 0.00 N ATOM 232 CA PHE A 16 -3.794 -1.528 5.032 1.00 0.00 C ATOM 233 C PHE A 16 -3.839 -1.024 6.479 1.00 0.00 C ATOM 234 O PHE A 16 -2.864 -0.452 6.965 1.00 0.00 O ATOM 235 CB PHE A 16 -4.585 -0.612 4.115 1.00 0.00 C ATOM 236 CG PHE A 16 -4.208 0.825 4.365 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.805 1.525 5.418 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.259 1.451 3.551 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.455 2.856 5.659 1.00 0.00 C ATOM 240 CE2 PHE A 16 -2.909 2.786 3.792 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.508 3.487 4.846 1.00 0.00 C ATOM 0 H PHE A 16 -5.192 -2.929 4.350 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.738 -1.535 4.762 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.391 -0.871 3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.653 -0.750 4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.537 1.037 6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.798 0.908 2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.915 3.397 6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.178 3.274 3.165 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.238 4.516 5.031 1.00 0.00 H new ATOM 251 N SER A 17 -4.950 -1.248 7.182 1.00 0.00 N ATOM 252 CA SER A 17 -5.037 -0.804 8.577 1.00 0.00 C ATOM 253 C SER A 17 -4.004 -1.557 9.391 1.00 0.00 C ATOM 254 O SER A 17 -3.384 -1.020 10.309 1.00 0.00 O ATOM 255 CB SER A 17 -6.425 -1.055 9.160 1.00 0.00 C ATOM 256 OG SER A 17 -7.345 -0.135 8.591 1.00 0.00 O ATOM 0 H SER A 17 -5.780 -1.720 6.824 1.00 0.00 H new ATOM 0 HA SER A 17 -4.849 0.269 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.740 -2.078 8.952 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.403 -0.942 10.244 1.00 0.00 H new ATOM 0 HG SER A 17 -8.238 -0.294 8.962 1.00 0.00 H new ATOM 262 N LEU A 18 -3.819 -2.812 9.011 1.00 0.00 N ATOM 263 CA LEU A 18 -2.853 -3.697 9.640 1.00 0.00 C ATOM 264 C LEU A 18 -1.436 -3.155 9.407 1.00 0.00 C ATOM 265 O LEU A 18 -0.581 -3.209 10.292 1.00 0.00 O ATOM 266 CB LEU A 18 -3.041 -5.080 9.005 1.00 0.00 C ATOM 267 CG LEU A 18 -1.993 -6.092 9.473 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.225 -6.463 10.942 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.128 -7.345 8.603 1.00 0.00 C ATOM 0 H LEU A 18 -4.340 -3.248 8.250 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.000 -3.762 10.718 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.035 -5.454 9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.991 -4.987 7.920 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.996 -5.662 9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.471 -7.184 11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.153 -5.567 11.559 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.216 -6.902 11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.391 -8.086 8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.130 -7.760 8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.959 -7.083 7.559 1.00 0.00 H new ATOM 281 N PHE A 19 -1.198 -2.646 8.199 1.00 0.00 N ATOM 282 CA PHE A 19 0.112 -2.101 7.836 1.00 0.00 C ATOM 283 C PHE A 19 0.412 -0.843 8.653 1.00 0.00 C ATOM 284 O PHE A 19 1.556 -0.389 8.709 1.00 0.00 O ATOM 285 CB PHE A 19 0.129 -1.746 6.340 1.00 0.00 C ATOM 286 CG PHE A 19 0.242 -2.985 5.460 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.065 -4.278 5.940 1.00 0.00 C ATOM 288 CD2 PHE A 19 0.680 -2.828 4.135 1.00 0.00 C ATOM 289 CE1 PHE A 19 0.072 -5.385 5.101 1.00 0.00 C ATOM 290 CE2 PHE A 19 0.814 -3.945 3.301 1.00 0.00 C ATOM 291 CZ PHE A 19 0.512 -5.223 3.788 1.00 0.00 C ATOM 0 H PHE A 19 -1.894 -2.599 7.455 1.00 0.00 H new ATOM 0 HA PHE A 19 0.872 -2.854 8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.781 -1.203 6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.966 -1.079 6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.406 -4.410 6.956 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.914 -1.843 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.164 -6.372 5.471 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.150 -3.821 2.282 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.620 -6.084 3.145 1.00 0.00 H new ATOM 301 N ASP A 20 -0.615 -0.273 9.273 1.00 0.00 N ATOM 302 CA ASP A 20 -0.433 0.934 10.071 1.00 0.00 C ATOM 303 C ASP A 20 -0.167 0.593 11.536 1.00 0.00 C ATOM 304 O ASP A 20 -1.100 0.471 12.331 1.00 0.00 O ATOM 305 CB ASP A 20 -1.686 1.804 9.966 1.00 0.00 C ATOM 306 CG ASP A 20 -1.445 3.145 10.652 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.419 3.282 11.296 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.294 4.013 10.529 1.00 0.00 O ATOM 0 H ASP A 20 -1.573 -0.622 9.240 1.00 0.00 H new ATOM 0 HA ASP A 20 0.431 1.475 9.686 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.943 1.962 8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.532 1.296 10.428 1.00 0.00 H new ATOM 313 N LYS A 21 1.106 0.420 11.888 1.00 0.00 N ATOM 314 CA LYS A 21 1.459 0.074 13.263 1.00 0.00 C ATOM 315 C LYS A 21 0.783 1.022 14.251 1.00 0.00 C ATOM 316 O LYS A 21 0.304 0.589 15.298 1.00 0.00 O ATOM 317 CB LYS A 21 2.979 0.156 13.466 1.00 0.00 C ATOM 318 CG LYS A 21 3.677 -1.028 12.780 1.00 0.00 C ATOM 319 CD LYS A 21 5.161 -1.077 13.190 1.00 0.00 C ATOM 320 CE LYS A 21 5.943 0.057 12.518 1.00 0.00 C ATOM 321 NZ LYS A 21 7.405 -0.177 12.698 1.00 0.00 N ATOM 0 H LYS A 21 1.898 0.512 11.252 1.00 0.00 H new ATOM 0 HA LYS A 21 1.117 -0.945 13.444 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.356 1.094 13.059 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.210 0.155 14.531 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.184 -1.960 13.056 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.594 -0.932 11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.248 -0.994 14.273 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.590 -2.039 12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.699 0.103 11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.660 1.016 12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.925 0.700 12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.592 -0.469 13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.719 -0.926 12.048 1.00 0.00 H new ATOM 335 N ASP A 22 0.755 2.314 13.933 1.00 0.00 N ATOM 336 CA ASP A 22 0.139 3.284 14.834 1.00 0.00 C ATOM 337 C ASP A 22 -1.379 3.333 14.635 1.00 0.00 C ATOM 338 O ASP A 22 -2.123 3.682 15.553 1.00 0.00 O ATOM 339 CB ASP A 22 0.733 4.665 14.563 1.00 0.00 C ATOM 340 CG ASP A 22 2.255 4.587 14.599 1.00 0.00 C ATOM 341 OD1 ASP A 22 2.784 4.170 15.615 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.867 4.941 13.605 1.00 0.00 O ATOM 0 H ASP A 22 1.143 2.708 13.076 1.00 0.00 H new ATOM 0 HA ASP A 22 0.339 2.982 15.862 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.401 5.030 13.591 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.378 5.377 15.309 1.00 0.00 H new ATOM 347 N GLY A 23 -1.828 2.998 13.430 1.00 0.00 N ATOM 348 CA GLY A 23 -3.261 3.025 13.133 1.00 0.00 C ATOM 349 C GLY A 23 -3.771 4.465 13.031 1.00 0.00 C ATOM 350 O GLY A 23 -4.919 4.749 13.370 1.00 0.00 O ATOM 0 H GLY A 23 -1.234 2.709 12.653 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.452 2.500 12.197 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.808 2.496 13.913 1.00 0.00 H new ATOM 354 N ASP A 24 -2.911 5.371 12.570 1.00 0.00 N ATOM 355 CA ASP A 24 -3.296 6.776 12.439 1.00 0.00 C ATOM 356 C ASP A 24 -4.076 7.018 11.147 1.00 0.00 C ATOM 357 O ASP A 24 -4.548 8.127 10.902 1.00 0.00 O ATOM 358 CB ASP A 24 -2.049 7.661 12.442 1.00 0.00 C ATOM 359 CG ASP A 24 -1.073 7.192 11.369 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.337 6.168 10.760 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.074 7.864 11.170 1.00 0.00 O ATOM 0 H ASP A 24 -1.954 5.162 12.284 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.935 7.027 13.286 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.329 8.699 12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.571 7.626 13.421 1.00 0.00 H new ATOM 366 N GLY A 25 -4.214 5.979 10.325 1.00 0.00 N ATOM 367 CA GLY A 25 -4.945 6.098 9.058 1.00 0.00 C ATOM 368 C GLY A 25 -3.996 6.315 7.885 1.00 0.00 C ATOM 369 O GLY A 25 -4.433 6.500 6.749 1.00 0.00 O ATOM 0 H GLY A 25 -3.834 5.051 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.533 5.196 8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.647 6.930 9.118 1.00 0.00 H new ATOM 373 N CYS A 26 -2.691 6.283 8.157 1.00 0.00 N ATOM 374 CA CYS A 26 -1.695 6.468 7.103 1.00 0.00 C ATOM 375 C CYS A 26 -0.498 5.553 7.316 1.00 0.00 C ATOM 376 O CYS A 26 -0.097 5.287 8.449 1.00 0.00 O ATOM 377 CB CYS A 26 -1.216 7.924 7.077 1.00 0.00 C ATOM 378 SG CYS A 26 -0.121 8.232 8.485 1.00 0.00 S ATOM 0 H CYS A 26 -2.303 6.132 9.088 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.166 6.218 6.152 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.690 8.127 6.144 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.071 8.599 7.115 1.00 0.00 H new ATOM 0 HG CYS A 26 0.215 7.100 9.029 1.00 0.00 H new ATOM 384 N ILE A 27 0.091 5.098 6.206 1.00 0.00 N ATOM 385 CA ILE A 27 1.276 4.246 6.253 1.00 0.00 C ATOM 386 C ILE A 27 2.467 5.059 5.768 1.00 0.00 C ATOM 387 O ILE A 27 2.438 5.603 4.654 1.00 0.00 O ATOM 388 CB ILE A 27 1.124 3.044 5.319 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.125 2.254 5.682 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.347 2.131 5.445 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.376 1.203 4.602 1.00 0.00 C ATOM 0 H ILE A 27 -0.237 5.308 5.263 1.00 0.00 H new ATOM 0 HA ILE A 27 1.412 3.893 7.275 1.00 0.00 H new ATOM 0 HB ILE A 27 1.039 3.407 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.001 1.775 6.653 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.983 2.922 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.234 1.277 4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.245 2.686 5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.434 1.779 6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.269 0.631 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.518 1.696 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.480 0.531 4.542 1.00 0.00 H new ATOM 403 N THR A 28 3.513 5.127 6.585 1.00 0.00 N ATOM 404 CA THR A 28 4.727 5.852 6.213 1.00 0.00 C ATOM 405 C THR A 28 5.674 4.893 5.499 1.00 0.00 C ATOM 406 O THR A 28 5.424 3.691 5.452 1.00 0.00 O ATOM 407 CB THR A 28 5.392 6.471 7.450 1.00 0.00 C ATOM 408 OG1 THR A 28 5.716 5.450 8.383 1.00 0.00 O ATOM 409 CG2 THR A 28 4.434 7.478 8.096 1.00 0.00 C ATOM 0 H THR A 28 3.547 4.691 7.507 1.00 0.00 H new ATOM 0 HA THR A 28 4.473 6.671 5.540 1.00 0.00 H new ATOM 0 HB THR A 28 6.306 6.983 7.150 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.249 5.619 9.228 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.906 7.918 8.975 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.196 8.265 7.380 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.517 6.969 8.393 1.00 0.00 H new ATOM 417 N THR A 29 6.734 5.414 4.905 1.00 0.00 N ATOM 418 CA THR A 29 7.654 4.554 4.173 1.00 0.00 C ATOM 419 C THR A 29 8.250 3.489 5.087 1.00 0.00 C ATOM 420 O THR A 29 8.221 2.298 4.771 1.00 0.00 O ATOM 421 CB THR A 29 8.768 5.396 3.565 1.00 0.00 C ATOM 422 OG1 THR A 29 9.768 5.620 4.546 1.00 0.00 O ATOM 423 CG2 THR A 29 8.203 6.738 3.097 1.00 0.00 C ATOM 0 H THR A 29 6.978 6.404 4.912 1.00 0.00 H new ATOM 0 HA THR A 29 7.100 4.052 3.380 1.00 0.00 H new ATOM 0 HB THR A 29 9.198 4.871 2.712 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.489 6.160 4.161 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.003 7.338 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.430 6.566 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.773 7.268 3.947 1.00 0.00 H new ATOM 431 N LYS A 30 8.806 3.926 6.211 1.00 0.00 N ATOM 432 CA LYS A 30 9.417 3.003 7.165 1.00 0.00 C ATOM 433 C LYS A 30 8.418 1.913 7.526 1.00 0.00 C ATOM 434 O LYS A 30 8.763 0.734 7.617 1.00 0.00 O ATOM 435 CB LYS A 30 9.838 3.773 8.420 1.00 0.00 C ATOM 436 CG LYS A 30 8.594 4.320 9.127 1.00 0.00 C ATOM 437 CD LYS A 30 9.012 5.260 10.257 1.00 0.00 C ATOM 438 CE LYS A 30 7.766 5.822 10.948 1.00 0.00 C ATOM 439 NZ LYS A 30 8.187 6.762 12.024 1.00 0.00 N ATOM 0 H LYS A 30 8.847 4.908 6.485 1.00 0.00 H new ATOM 0 HA LYS A 30 10.299 2.542 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.393 3.118 9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.505 4.592 8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.963 4.851 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.000 3.498 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.630 4.725 10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.618 6.074 9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.135 6.338 10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.171 5.011 11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.345 7.147 12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.773 6.255 12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.738 7.541 11.609 1.00 0.00 H new ATOM 453 N GLU A 31 7.166 2.321 7.689 1.00 0.00 N ATOM 454 CA GLU A 31 6.102 1.378 7.995 1.00 0.00 C ATOM 455 C GLU A 31 5.910 0.465 6.805 1.00 0.00 C ATOM 456 O GLU A 31 5.786 -0.752 6.945 1.00 0.00 O ATOM 457 CB GLU A 31 4.802 2.127 8.286 1.00 0.00 C ATOM 458 CG GLU A 31 4.888 2.784 9.661 1.00 0.00 C ATOM 459 CD GLU A 31 3.619 3.577 9.938 1.00 0.00 C ATOM 460 OE1 GLU A 31 3.163 4.261 9.037 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.118 3.485 11.048 1.00 0.00 O ATOM 0 H GLU A 31 6.865 3.293 7.615 1.00 0.00 H new ATOM 0 HA GLU A 31 6.370 0.794 8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.627 2.883 7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.958 1.438 8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.026 2.023 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.755 3.443 9.705 1.00 0.00 H new ATOM 468 N LEU A 32 5.918 1.063 5.624 1.00 0.00 N ATOM 469 CA LEU A 32 5.780 0.285 4.410 1.00 0.00 C ATOM 470 C LEU A 32 6.971 -0.668 4.323 1.00 0.00 C ATOM 471 O LEU A 32 6.824 -1.864 4.080 1.00 0.00 O ATOM 472 CB LEU A 32 5.756 1.234 3.198 1.00 0.00 C ATOM 473 CG LEU A 32 5.087 0.582 1.977 1.00 0.00 C ATOM 474 CD1 LEU A 32 5.645 -0.803 1.734 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.573 0.480 2.177 1.00 0.00 C ATOM 0 H LEU A 32 6.017 2.068 5.484 1.00 0.00 H new ATOM 0 HA LEU A 32 4.852 -0.287 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.222 2.147 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.775 1.524 2.943 1.00 0.00 H new ATOM 0 HG LEU A 32 5.296 1.213 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.157 -1.245 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.718 -0.736 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.463 -1.427 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.121 0.016 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.362 -0.126 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.156 1.478 2.315 1.00 0.00 H new ATOM 487 N GLY A 33 8.157 -0.123 4.563 1.00 0.00 N ATOM 488 CA GLY A 33 9.364 -0.930 4.529 1.00 0.00 C ATOM 489 C GLY A 33 9.274 -2.041 5.562 1.00 0.00 C ATOM 490 O GLY A 33 9.631 -3.178 5.289 1.00 0.00 O ATOM 0 H GLY A 33 8.306 0.862 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.499 -1.356 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.235 -0.306 4.729 1.00 0.00 H new ATOM 494 N THR A 34 8.764 -1.719 6.748 1.00 0.00 N ATOM 495 CA THR A 34 8.623 -2.728 7.792 1.00 0.00 C ATOM 496 C THR A 34 7.954 -3.948 7.187 1.00 0.00 C ATOM 497 O THR A 34 8.430 -5.079 7.312 1.00 0.00 O ATOM 498 CB THR A 34 7.726 -2.186 8.916 1.00 0.00 C ATOM 499 OG1 THR A 34 8.149 -0.876 9.266 1.00 0.00 O ATOM 500 CG2 THR A 34 7.806 -3.097 10.145 1.00 0.00 C ATOM 0 H THR A 34 8.447 -0.785 7.007 1.00 0.00 H new ATOM 0 HA THR A 34 9.603 -2.982 8.196 1.00 0.00 H new ATOM 0 HB THR A 34 6.694 -2.158 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.861 -0.589 8.657 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.166 -2.701 10.934 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.474 -4.100 9.877 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.836 -3.139 10.500 1.00 0.00 H new ATOM 508 N VAL A 35 6.828 -3.687 6.545 1.00 0.00 N ATOM 509 CA VAL A 35 6.038 -4.727 5.911 1.00 0.00 C ATOM 510 C VAL A 35 6.773 -5.376 4.736 1.00 0.00 C ATOM 511 O VAL A 35 6.860 -6.602 4.658 1.00 0.00 O ATOM 512 CB VAL A 35 4.731 -4.100 5.445 1.00 0.00 C ATOM 513 CG1 VAL A 35 3.934 -5.101 4.609 1.00 0.00 C ATOM 514 CG2 VAL A 35 3.925 -3.694 6.685 1.00 0.00 C ATOM 0 H VAL A 35 6.437 -2.750 6.449 1.00 0.00 H new ATOM 0 HA VAL A 35 5.850 -5.523 6.631 1.00 0.00 H new ATOM 0 HB VAL A 35 4.937 -3.226 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.002 -4.641 4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.519 -5.395 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.712 -5.982 5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.983 -3.242 6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.721 -4.576 7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.497 -2.975 7.271 1.00 0.00 H new ATOM 524 N MET A 36 7.307 -4.558 3.829 1.00 0.00 N ATOM 525 CA MET A 36 8.033 -5.082 2.675 1.00 0.00 C ATOM 526 C MET A 36 9.292 -5.794 3.147 1.00 0.00 C ATOM 527 O MET A 36 9.660 -6.843 2.624 1.00 0.00 O ATOM 528 CB MET A 36 8.396 -3.933 1.732 1.00 0.00 C ATOM 529 CG MET A 36 7.145 -3.474 0.973 1.00 0.00 C ATOM 530 SD MET A 36 6.617 -4.760 -0.189 1.00 0.00 S ATOM 531 CE MET A 36 7.453 -4.109 -1.658 1.00 0.00 C ATOM 0 H MET A 36 7.251 -3.540 3.871 1.00 0.00 H new ATOM 0 HA MET A 36 7.404 -5.793 2.139 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.814 -3.102 2.300 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.163 -4.256 1.028 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.342 -3.257 1.677 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.355 -2.550 0.434 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.564 -4.904 -2.396 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.861 -3.299 -2.084 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.437 -3.732 -1.380 1.00 0.00 H new ATOM 541 N ARG A 37 9.945 -5.226 4.153 1.00 0.00 N ATOM 542 CA ARG A 37 11.153 -5.816 4.705 1.00 0.00 C ATOM 543 C ARG A 37 10.887 -7.244 5.139 1.00 0.00 C ATOM 544 O ARG A 37 11.629 -8.167 4.805 1.00 0.00 O ATOM 545 CB ARG A 37 11.542 -5.011 5.938 1.00 0.00 C ATOM 546 CG ARG A 37 12.826 -5.539 6.580 1.00 0.00 C ATOM 547 CD ARG A 37 14.020 -5.332 5.645 1.00 0.00 C ATOM 548 NE ARG A 37 15.263 -5.390 6.396 1.00 0.00 N ATOM 549 CZ ARG A 37 16.425 -5.478 5.765 1.00 0.00 C ATOM 550 NH1 ARG A 37 16.458 -5.495 4.458 1.00 0.00 N ATOM 551 NH2 ARG A 37 17.531 -5.546 6.448 1.00 0.00 N ATOM 0 H ARG A 37 9.656 -4.357 4.602 1.00 0.00 H new ATOM 0 HA ARG A 37 11.942 -5.808 3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.677 -3.965 5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.731 -5.046 6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.004 -5.026 7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.716 -6.599 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.020 -6.097 4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.935 -4.368 5.143 1.00 0.00 H new ATOM 0 HE ARG A 37 15.241 -5.363 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.590 -5.441 3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.352 -5.563 3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.503 -5.532 7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.426 -5.614 5.964 1.00 0.00 H new ATOM 565 N SER A 38 9.828 -7.399 5.903 1.00 0.00 N ATOM 566 CA SER A 38 9.446 -8.703 6.418 1.00 0.00 C ATOM 567 C SER A 38 8.895 -9.600 5.308 1.00 0.00 C ATOM 568 O SER A 38 8.835 -10.821 5.461 1.00 0.00 O ATOM 569 CB SER A 38 8.389 -8.524 7.503 1.00 0.00 C ATOM 570 OG SER A 38 8.102 -9.784 8.098 1.00 0.00 O ATOM 0 H SER A 38 9.211 -6.637 6.184 1.00 0.00 H new ATOM 0 HA SER A 38 10.333 -9.184 6.832 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.744 -7.825 8.260 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.482 -8.097 7.075 1.00 0.00 H new ATOM 0 HG SER A 38 8.277 -10.499 7.451 1.00 0.00 H new ATOM 576 N LEU A 39 8.470 -8.990 4.197 1.00 0.00 N ATOM 577 CA LEU A 39 7.898 -9.755 3.082 1.00 0.00 C ATOM 578 C LEU A 39 8.999 -10.354 2.191 1.00 0.00 C ATOM 579 O LEU A 39 8.843 -10.444 0.975 1.00 0.00 O ATOM 580 CB LEU A 39 6.963 -8.844 2.245 1.00 0.00 C ATOM 581 CG LEU A 39 5.734 -9.617 1.749 1.00 0.00 C ATOM 582 CD1 LEU A 39 4.783 -8.647 1.053 1.00 0.00 C ATOM 583 CD2 LEU A 39 6.167 -10.692 0.752 1.00 0.00 C ATOM 0 H LEU A 39 8.510 -7.982 4.045 1.00 0.00 H new ATOM 0 HA LEU A 39 7.320 -10.582 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.643 -7.995 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.511 -8.441 1.393 1.00 0.00 H new ATOM 0 HG LEU A 39 5.236 -10.088 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.907 -9.189 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.472 -7.875 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.291 -8.183 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.291 -11.238 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.664 -10.222 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.855 -11.383 1.238 1.00 0.00 H new ATOM 595 N GLY A 40 10.103 -10.776 2.799 1.00 0.00 N ATOM 596 CA GLY A 40 11.194 -11.378 2.034 1.00 0.00 C ATOM 597 C GLY A 40 11.726 -10.422 0.973 1.00 0.00 C ATOM 598 O GLY A 40 11.932 -10.809 -0.179 1.00 0.00 O ATOM 0 H GLY A 40 10.267 -10.715 3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.002 -11.659 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.844 -12.294 1.558 1.00 0.00 H new ATOM 602 N GLN A 41 11.947 -9.172 1.366 1.00 0.00 N ATOM 603 CA GLN A 41 12.457 -8.157 0.445 1.00 0.00 C ATOM 604 C GLN A 41 13.391 -7.209 1.196 1.00 0.00 C ATOM 605 O GLN A 41 13.281 -7.059 2.413 1.00 0.00 O ATOM 606 CB GLN A 41 11.281 -7.382 -0.156 1.00 0.00 C ATOM 607 CG GLN A 41 11.743 -6.604 -1.391 1.00 0.00 C ATOM 608 CD GLN A 41 10.545 -5.907 -2.034 1.00 0.00 C ATOM 609 OE1 GLN A 41 9.440 -5.957 -1.498 1.00 0.00 O ATOM 610 NE2 GLN A 41 10.698 -5.258 -3.155 1.00 0.00 N ATOM 0 H GLN A 41 11.782 -8.836 2.315 1.00 0.00 H new ATOM 0 HA GLN A 41 13.015 -8.635 -0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.482 -8.071 -0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.871 -6.695 0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.497 -5.869 -1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.210 -7.281 -2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.615 -5.217 -3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.900 -4.792 -3.587 1.00 0.00 H new ATOM 619 N ASN A 42 14.319 -6.578 0.478 1.00 0.00 N ATOM 620 CA ASN A 42 15.273 -5.659 1.109 1.00 0.00 C ATOM 621 C ASN A 42 15.406 -4.370 0.301 1.00 0.00 C ATOM 622 O ASN A 42 16.416 -4.159 -0.370 1.00 0.00 O ATOM 623 CB ASN A 42 16.646 -6.325 1.209 1.00 0.00 C ATOM 624 CG ASN A 42 17.069 -6.870 -0.151 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.636 -6.365 -1.188 1.00 0.00 O ATOM 626 ND2 ASN A 42 17.896 -7.878 -0.209 1.00 0.00 N ATOM 0 H ASN A 42 14.433 -6.682 -0.530 1.00 0.00 H new ATOM 0 HA ASN A 42 14.900 -5.417 2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.382 -5.604 1.565 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.613 -7.134 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.185 -8.249 -1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.253 -8.295 0.651 1.00 0.00 H new ATOM 633 N PRO A 43 14.421 -3.508 0.349 1.00 0.00 N ATOM 634 CA PRO A 43 14.459 -2.224 -0.406 1.00 0.00 C ATOM 635 C PRO A 43 15.330 -1.188 0.293 1.00 0.00 C ATOM 636 O PRO A 43 15.402 -1.151 1.522 1.00 0.00 O ATOM 637 CB PRO A 43 12.991 -1.783 -0.418 1.00 0.00 C ATOM 638 CG PRO A 43 12.449 -2.308 0.872 1.00 0.00 C ATOM 639 CD PRO A 43 13.167 -3.642 1.119 1.00 0.00 C ATOM 0 HA PRO A 43 14.887 -2.334 -1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.900 -0.698 -0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.457 -2.196 -1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.634 -1.608 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.370 -2.450 0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.363 -3.802 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.572 -4.488 0.773 1.00 0.00 H new ATOM 647 N THR A 44 15.950 -0.313 -0.490 1.00 0.00 N ATOM 648 CA THR A 44 16.761 0.758 0.078 1.00 0.00 C ATOM 649 C THR A 44 15.856 1.948 0.352 1.00 0.00 C ATOM 650 O THR A 44 14.731 1.996 -0.137 1.00 0.00 O ATOM 651 CB THR A 44 17.888 1.154 -0.873 1.00 0.00 C ATOM 652 OG1 THR A 44 17.386 1.233 -2.198 1.00 0.00 O ATOM 653 CG2 THR A 44 19.000 0.111 -0.796 1.00 0.00 C ATOM 0 H THR A 44 15.908 -0.323 -1.509 1.00 0.00 H new ATOM 0 HA THR A 44 17.221 0.415 1.005 1.00 0.00 H new ATOM 0 HB THR A 44 18.287 2.127 -0.587 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.150 2.162 -2.403 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.807 0.389 -1.473 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.383 0.062 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.605 -0.864 -1.083 1.00 0.00 H new ATOM 661 N GLU A 45 16.328 2.886 1.148 1.00 0.00 N ATOM 662 CA GLU A 45 15.503 4.032 1.494 1.00 0.00 C ATOM 663 C GLU A 45 15.078 4.824 0.258 1.00 0.00 C ATOM 664 O GLU A 45 13.923 5.233 0.147 1.00 0.00 O ATOM 665 CB GLU A 45 16.256 4.934 2.461 1.00 0.00 C ATOM 666 CG GLU A 45 15.319 6.029 2.968 1.00 0.00 C ATOM 667 CD GLU A 45 16.048 6.891 3.991 1.00 0.00 C ATOM 668 OE1 GLU A 45 17.254 6.747 4.103 1.00 0.00 O ATOM 669 OE2 GLU A 45 15.390 7.677 4.649 1.00 0.00 O ATOM 0 H GLU A 45 17.260 2.882 1.562 1.00 0.00 H new ATOM 0 HA GLU A 45 14.596 3.659 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.637 4.350 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.118 5.379 1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.978 6.644 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.432 5.583 3.419 1.00 0.00 H new ATOM 676 N ALA A 46 16.001 5.036 -0.674 1.00 0.00 N ATOM 677 CA ALA A 46 15.671 5.776 -1.890 1.00 0.00 C ATOM 678 C ALA A 46 14.529 5.084 -2.599 1.00 0.00 C ATOM 679 O ALA A 46 13.617 5.722 -3.121 1.00 0.00 O ATOM 680 CB ALA A 46 16.886 5.825 -2.824 1.00 0.00 C ATOM 0 H ALA A 46 16.967 4.713 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 46 15.384 6.793 -1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.629 6.379 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.714 6.321 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.180 4.810 -3.092 1.00 0.00 H new ATOM 686 N GLU A 47 14.601 3.770 -2.619 1.00 0.00 N ATOM 687 CA GLU A 47 13.587 2.966 -3.276 1.00 0.00 C ATOM 688 C GLU A 47 12.198 3.214 -2.659 1.00 0.00 C ATOM 689 O GLU A 47 11.227 3.438 -3.379 1.00 0.00 O ATOM 690 CB GLU A 47 13.999 1.473 -3.154 1.00 0.00 C ATOM 691 CG GLU A 47 14.501 0.924 -4.497 1.00 0.00 C ATOM 692 CD GLU A 47 15.709 1.733 -4.952 1.00 0.00 C ATOM 693 OE1 GLU A 47 16.340 2.340 -4.102 1.00 0.00 O ATOM 694 OE2 GLU A 47 15.978 1.741 -6.141 1.00 0.00 O ATOM 0 H GLU A 47 15.353 3.233 -2.187 1.00 0.00 H new ATOM 0 HA GLU A 47 13.517 3.244 -4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.780 1.369 -2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.147 0.885 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.770 -0.127 -4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.709 0.979 -5.244 1.00 0.00 H new ATOM 701 N LEU A 48 12.114 3.179 -1.336 1.00 0.00 N ATOM 702 CA LEU A 48 10.834 3.406 -0.659 1.00 0.00 C ATOM 703 C LEU A 48 10.334 4.822 -0.896 1.00 0.00 C ATOM 704 O LEU A 48 9.151 5.045 -1.154 1.00 0.00 O ATOM 705 CB LEU A 48 10.998 3.205 0.836 1.00 0.00 C ATOM 706 CG LEU A 48 11.630 1.853 1.109 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.895 1.729 2.604 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.689 0.739 0.647 1.00 0.00 C ATOM 0 H LEU A 48 12.902 2.999 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 48 10.114 2.695 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.620 3.998 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.028 3.269 1.329 1.00 0.00 H new ATOM 0 HG LEU A 48 12.569 1.764 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.350 0.761 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.571 2.523 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.955 1.814 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.147 -0.230 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.746 0.812 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.503 0.840 -0.422 1.00 0.00 H new ATOM 720 N GLN A 49 11.256 5.775 -0.815 1.00 0.00 N ATOM 721 CA GLN A 49 10.920 7.179 -1.029 1.00 0.00 C ATOM 722 C GLN A 49 10.405 7.361 -2.445 1.00 0.00 C ATOM 723 O GLN A 49 9.497 8.142 -2.709 1.00 0.00 O ATOM 724 CB GLN A 49 12.168 8.052 -0.817 1.00 0.00 C ATOM 725 CG GLN A 49 12.419 8.250 0.680 1.00 0.00 C ATOM 726 CD GLN A 49 11.398 9.229 1.251 1.00 0.00 C ATOM 727 OE1 GLN A 49 11.019 10.189 0.581 1.00 0.00 O ATOM 728 NE2 GLN A 49 10.933 9.047 2.455 1.00 0.00 N ATOM 0 H GLN A 49 12.239 5.603 -0.603 1.00 0.00 H new ATOM 0 HA GLN A 49 10.150 7.480 -0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.035 7.581 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.033 9.018 -1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.349 7.294 1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.429 8.628 0.842 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.249 8.251 3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.254 9.701 2.844 1.00 0.00 H new ATOM 737 N ASP A 50 10.992 6.622 -3.356 1.00 0.00 N ATOM 738 CA ASP A 50 10.590 6.694 -4.737 1.00 0.00 C ATOM 739 C ASP A 50 9.259 5.950 -4.937 1.00 0.00 C ATOM 740 O ASP A 50 8.382 6.404 -5.674 1.00 0.00 O ATOM 741 CB ASP A 50 11.698 6.074 -5.581 1.00 0.00 C ATOM 742 CG ASP A 50 12.773 7.116 -5.879 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.779 8.138 -5.212 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.583 6.869 -6.756 1.00 0.00 O ATOM 0 H ASP A 50 11.749 5.965 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 50 10.435 7.730 -5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.137 5.227 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.284 5.689 -6.513 1.00 0.00 H new ATOM 749 N MET A 51 9.117 4.807 -4.271 1.00 0.00 N ATOM 750 CA MET A 51 7.898 4.010 -4.373 1.00 0.00 C ATOM 751 C MET A 51 6.714 4.792 -3.815 1.00 0.00 C ATOM 752 O MET A 51 5.633 4.820 -4.401 1.00 0.00 O ATOM 753 CB MET A 51 8.082 2.727 -3.557 1.00 0.00 C ATOM 754 CG MET A 51 8.927 1.719 -4.339 1.00 0.00 C ATOM 755 SD MET A 51 9.497 0.412 -3.220 1.00 0.00 S ATOM 756 CE MET A 51 8.184 -0.790 -3.551 1.00 0.00 C ATOM 0 H MET A 51 9.829 4.413 -3.656 1.00 0.00 H new ATOM 0 HA MET A 51 7.705 3.771 -5.419 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.565 2.958 -2.607 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.110 2.293 -3.323 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.340 1.288 -5.150 1.00 0.00 H new ATOM 0 HG3 MET A 51 9.781 2.220 -4.795 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.350 -1.685 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.219 -0.354 -3.294 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.192 -1.056 -4.608 1.00 0.00 H new ATOM 766 N ILE A 52 6.928 5.392 -2.654 1.00 0.00 N ATOM 767 CA ILE A 52 5.874 6.147 -1.994 1.00 0.00 C ATOM 768 C ILE A 52 5.511 7.373 -2.831 1.00 0.00 C ATOM 769 O ILE A 52 4.337 7.668 -3.048 1.00 0.00 O ATOM 770 CB ILE A 52 6.372 6.556 -0.566 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.210 6.533 0.459 1.00 0.00 C ATOM 772 CG2 ILE A 52 7.023 7.956 -0.545 1.00 0.00 C ATOM 773 CD1 ILE A 52 4.996 5.108 0.991 1.00 0.00 C ATOM 0 H ILE A 52 7.816 5.371 -2.152 1.00 0.00 H new ATOM 0 HA ILE A 52 4.975 5.539 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 52 7.127 5.819 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.432 7.208 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.295 6.894 -0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.350 8.190 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.882 7.968 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.297 8.700 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.177 5.107 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.752 4.443 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.907 4.761 1.479 1.00 0.00 H new ATOM 785 N ASN A 53 6.543 8.089 -3.263 1.00 0.00 N ATOM 786 CA ASN A 53 6.365 9.318 -4.022 1.00 0.00 C ATOM 787 C ASN A 53 5.803 9.075 -5.422 1.00 0.00 C ATOM 788 O ASN A 53 5.259 9.995 -6.035 1.00 0.00 O ATOM 789 CB ASN A 53 7.699 10.057 -4.118 1.00 0.00 C ATOM 790 CG ASN A 53 7.494 11.427 -4.762 1.00 0.00 C ATOM 791 OD1 ASN A 53 7.945 11.659 -5.883 1.00 0.00 O ATOM 792 ND2 ASN A 53 6.836 12.353 -4.114 1.00 0.00 N ATOM 0 H ASN A 53 7.517 7.836 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 53 5.633 9.924 -3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.131 10.174 -3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.406 9.472 -4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.696 13.270 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.463 12.158 -3.185 1.00 0.00 H new ATOM 799 N GLU A 54 5.933 7.852 -5.932 1.00 0.00 N ATOM 800 CA GLU A 54 5.428 7.521 -7.253 1.00 0.00 C ATOM 801 C GLU A 54 3.903 7.451 -7.241 1.00 0.00 C ATOM 802 O GLU A 54 3.233 8.019 -8.101 1.00 0.00 O ATOM 803 CB GLU A 54 6.023 6.167 -7.659 1.00 0.00 C ATOM 804 CG GLU A 54 5.304 5.584 -8.879 1.00 0.00 C ATOM 805 CD GLU A 54 5.454 6.515 -10.075 1.00 0.00 C ATOM 806 OE1 GLU A 54 6.379 7.311 -10.066 1.00 0.00 O ATOM 807 OE2 GLU A 54 4.648 6.417 -10.985 1.00 0.00 O ATOM 0 H GLU A 54 6.385 7.077 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 54 5.717 8.290 -7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.083 6.286 -7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.949 5.470 -6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.716 4.604 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.248 5.439 -8.652 1.00 0.00 H new ATOM 814 N VAL A 55 3.371 6.727 -6.263 1.00 0.00 N ATOM 815 CA VAL A 55 1.921 6.547 -6.130 1.00 0.00 C ATOM 816 C VAL A 55 1.315 7.696 -5.337 1.00 0.00 C ATOM 817 O VAL A 55 0.108 7.756 -5.121 1.00 0.00 O ATOM 818 CB VAL A 55 1.662 5.226 -5.405 1.00 0.00 C ATOM 819 CG1 VAL A 55 2.182 5.336 -3.973 1.00 0.00 C ATOM 820 CG2 VAL A 55 0.160 4.911 -5.379 1.00 0.00 C ATOM 0 H VAL A 55 3.920 6.252 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 55 1.461 6.532 -7.118 1.00 0.00 H new ATOM 0 HB VAL A 55 2.177 4.423 -5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.002 4.398 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.252 5.543 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.664 6.145 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.005 3.967 -4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.370 5.709 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.213 4.833 -6.400 1.00 0.00 H new ATOM 830 N ASP A 56 2.177 8.588 -4.886 1.00 0.00 N ATOM 831 CA ASP A 56 1.746 9.722 -4.093 1.00 0.00 C ATOM 832 C ASP A 56 0.844 10.664 -4.898 1.00 0.00 C ATOM 833 O ASP A 56 0.954 11.885 -4.815 1.00 0.00 O ATOM 834 CB ASP A 56 2.991 10.432 -3.571 1.00 0.00 C ATOM 835 CG ASP A 56 2.658 11.745 -2.894 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.884 11.727 -1.951 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.198 12.746 -3.320 1.00 0.00 O ATOM 0 H ASP A 56 3.182 8.548 -5.056 1.00 0.00 H new ATOM 0 HA ASP A 56 1.142 9.380 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.509 9.782 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.677 10.615 -4.398 1.00 0.00 H new ATOM 842 N ALA A 57 -0.064 10.078 -5.675 1.00 0.00 N ATOM 843 CA ALA A 57 -0.989 10.858 -6.480 1.00 0.00 C ATOM 844 C ALA A 57 -1.668 11.908 -5.615 1.00 0.00 C ATOM 845 O ALA A 57 -2.090 12.956 -6.103 1.00 0.00 O ATOM 846 CB ALA A 57 -2.056 9.931 -7.077 1.00 0.00 C ATOM 0 H ALA A 57 -0.176 9.068 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.437 11.350 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.750 10.516 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.576 9.179 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.602 9.439 -6.272 1.00 0.00 H new ATOM 852 N ASP A 58 -1.769 11.615 -4.324 1.00 0.00 N ATOM 853 CA ASP A 58 -2.399 12.532 -3.389 1.00 0.00 C ATOM 854 C ASP A 58 -1.522 13.761 -3.137 1.00 0.00 C ATOM 855 O ASP A 58 -2.026 14.878 -3.021 1.00 0.00 O ATOM 856 CB ASP A 58 -2.663 11.809 -2.069 1.00 0.00 C ATOM 857 CG ASP A 58 -1.396 11.106 -1.600 1.00 0.00 C ATOM 858 OD1 ASP A 58 -0.384 11.249 -2.263 1.00 0.00 O ATOM 859 OD2 ASP A 58 -1.459 10.422 -0.592 1.00 0.00 O ATOM 0 H ASP A 58 -1.423 10.752 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.339 12.872 -3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.994 12.522 -1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.466 11.083 -2.196 1.00 0.00 H new ATOM 864 N GLY A 59 -0.211 13.546 -3.042 1.00 0.00 N ATOM 865 CA GLY A 59 0.727 14.646 -2.789 1.00 0.00 C ATOM 866 C GLY A 59 0.980 14.825 -1.288 1.00 0.00 C ATOM 867 O GLY A 59 1.626 15.787 -0.873 1.00 0.00 O ATOM 0 H GLY A 59 0.226 12.629 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.670 14.448 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.328 15.571 -3.206 1.00 0.00 H new ATOM 871 N ASN A 60 0.463 13.902 -0.479 1.00 0.00 N ATOM 872 CA ASN A 60 0.639 13.986 0.971 1.00 0.00 C ATOM 873 C ASN A 60 1.956 13.345 1.411 1.00 0.00 C ATOM 874 O ASN A 60 2.481 13.664 2.476 1.00 0.00 O ATOM 875 CB ASN A 60 -0.531 13.300 1.679 1.00 0.00 C ATOM 876 CG ASN A 60 -0.502 11.803 1.407 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.352 11.321 0.663 1.00 0.00 O ATOM 878 ND2 ASN A 60 -1.393 11.032 1.965 1.00 0.00 N ATOM 0 H ASN A 60 -0.075 13.096 -0.797 1.00 0.00 H new ATOM 0 HA ASN A 60 0.666 15.041 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.475 13.484 2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.474 13.722 1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.383 10.028 1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.100 11.433 2.581 1.00 0.00 H new ATOM 885 N GLY A 61 2.492 12.444 0.588 1.00 0.00 N ATOM 886 CA GLY A 61 3.755 11.779 0.913 1.00 0.00 C ATOM 887 C GLY A 61 3.531 10.548 1.792 1.00 0.00 C ATOM 888 O GLY A 61 4.483 9.883 2.196 1.00 0.00 O ATOM 0 H GLY A 61 2.077 12.160 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.259 11.483 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.414 12.479 1.427 1.00 0.00 H new ATOM 892 N THR A 62 2.265 10.236 2.059 1.00 0.00 N ATOM 893 CA THR A 62 1.917 9.061 2.866 1.00 0.00 C ATOM 894 C THR A 62 0.707 8.377 2.264 1.00 0.00 C ATOM 895 O THR A 62 -0.108 9.008 1.592 1.00 0.00 O ATOM 896 CB THR A 62 1.663 9.459 4.318 1.00 0.00 C ATOM 897 OG1 THR A 62 0.766 10.558 4.358 1.00 0.00 O ATOM 898 CG2 THR A 62 2.999 9.840 4.966 1.00 0.00 C ATOM 0 H THR A 62 1.464 10.776 1.732 1.00 0.00 H new ATOM 0 HA THR A 62 2.753 8.361 2.862 1.00 0.00 H new ATOM 0 HB THR A 62 1.220 8.626 4.864 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.602 10.812 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.831 10.127 6.004 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.677 8.987 4.930 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.440 10.677 4.425 1.00 0.00 H new ATOM 906 N ILE A 63 0.618 7.072 2.463 1.00 0.00 N ATOM 907 CA ILE A 63 -0.466 6.314 1.872 1.00 0.00 C ATOM 908 C ILE A 63 -1.722 6.334 2.731 1.00 0.00 C ATOM 909 O ILE A 63 -1.697 5.964 3.901 1.00 0.00 O ATOM 910 CB ILE A 63 -0.027 4.853 1.684 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.431 4.807 1.235 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.904 4.165 0.645 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.628 5.660 -0.021 1.00 0.00 C ATOM 0 H ILE A 63 1.274 6.525 3.021 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.701 6.780 0.915 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.132 4.331 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.076 5.171 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.724 3.777 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.581 3.131 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.943 4.184 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.817 4.687 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.673 5.618 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.997 5.278 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.355 6.693 0.194 1.00 0.00 H new ATOM 925 N ASP A 64 -2.827 6.704 2.099 1.00 0.00 N ATOM 926 CA ASP A 64 -4.137 6.697 2.740 1.00 0.00 C ATOM 927 C ASP A 64 -4.862 5.481 2.175 1.00 0.00 C ATOM 928 O ASP A 64 -4.539 5.044 1.073 1.00 0.00 O ATOM 929 CB ASP A 64 -4.911 7.975 2.403 1.00 0.00 C ATOM 930 CG ASP A 64 -4.266 9.181 3.083 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.488 8.976 4.002 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.557 10.292 2.673 1.00 0.00 O ATOM 0 H ASP A 64 -2.842 7.017 1.128 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.050 6.653 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.928 8.124 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.947 7.877 2.728 1.00 0.00 H new ATOM 937 N PHE A 65 -5.806 4.918 2.905 1.00 0.00 N ATOM 938 CA PHE A 65 -6.503 3.734 2.394 1.00 0.00 C ATOM 939 C PHE A 65 -6.922 3.919 0.926 1.00 0.00 C ATOM 940 O PHE A 65 -6.564 3.096 0.085 1.00 0.00 O ATOM 941 CB PHE A 65 -7.718 3.374 3.260 1.00 0.00 C ATOM 942 CG PHE A 65 -8.528 2.327 2.530 1.00 0.00 C ATOM 943 CD1 PHE A 65 -7.954 1.085 2.248 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.820 2.619 2.075 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.663 0.139 1.513 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.537 1.664 1.345 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.957 0.427 1.059 1.00 0.00 C ATOM 0 H PHE A 65 -6.107 5.241 3.824 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.798 2.904 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.394 2.996 4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.325 4.259 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.959 0.858 2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.263 3.581 2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.215 -0.819 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.538 1.884 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.505 -0.308 0.488 1.00 0.00 H new ATOM 957 N PRO A 66 -7.667 4.958 0.583 1.00 0.00 N ATOM 958 CA PRO A 66 -8.117 5.178 -0.823 1.00 0.00 C ATOM 959 C PRO A 66 -6.960 5.061 -1.803 1.00 0.00 C ATOM 960 O PRO A 66 -7.046 4.328 -2.790 1.00 0.00 O ATOM 961 CB PRO A 66 -8.707 6.615 -0.801 1.00 0.00 C ATOM 962 CG PRO A 66 -8.212 7.211 0.477 1.00 0.00 C ATOM 963 CD PRO A 66 -8.175 6.038 1.447 1.00 0.00 C ATOM 0 HA PRO A 66 -8.842 4.434 -1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.373 7.193 -1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.796 6.596 -0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.225 7.656 0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.875 8.000 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.518 6.228 2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.161 5.810 1.852 1.00 0.00 H new ATOM 971 N GLU A 67 -5.872 5.765 -1.525 1.00 0.00 N ATOM 972 CA GLU A 67 -4.708 5.701 -2.396 1.00 0.00 C ATOM 973 C GLU A 67 -4.279 4.257 -2.534 1.00 0.00 C ATOM 974 O GLU A 67 -4.167 3.721 -3.636 1.00 0.00 O ATOM 975 CB GLU A 67 -3.559 6.503 -1.787 1.00 0.00 C ATOM 976 CG GLU A 67 -2.411 6.618 -2.792 1.00 0.00 C ATOM 977 CD GLU A 67 -1.345 7.567 -2.249 1.00 0.00 C ATOM 978 OE1 GLU A 67 -0.562 7.139 -1.422 1.00 0.00 O ATOM 979 OE2 GLU A 67 -1.330 8.715 -2.664 1.00 0.00 O ATOM 0 H GLU A 67 -5.771 6.378 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.962 6.116 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.907 7.497 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.209 6.018 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.977 5.635 -2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.786 6.985 -3.747 1.00 0.00 H new ATOM 986 N PHE A 68 -4.080 3.626 -1.387 1.00 0.00 N ATOM 987 CA PHE A 68 -3.693 2.233 -1.335 1.00 0.00 C ATOM 988 C PHE A 68 -4.687 1.381 -2.119 1.00 0.00 C ATOM 989 O PHE A 68 -4.359 0.277 -2.543 1.00 0.00 O ATOM 990 CB PHE A 68 -3.643 1.797 0.132 1.00 0.00 C ATOM 991 CG PHE A 68 -3.431 0.315 0.275 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.142 -0.230 0.210 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.528 -0.511 0.532 1.00 0.00 C ATOM 994 CE1 PHE A 68 -1.957 -1.605 0.406 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.341 -1.882 0.718 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.063 -2.427 0.659 1.00 0.00 C ATOM 0 H PHE A 68 -4.183 4.066 -0.473 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.710 2.100 -1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.839 2.329 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.573 2.079 0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.294 0.408 0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.521 -0.089 0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.965 -2.030 0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.191 -2.521 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.923 -3.487 0.809 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.901 1.907 -2.320 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.923 1.167 -3.079 1.00 0.00 C ATOM 1008 C LEU A 69 -6.658 1.291 -4.586 1.00 0.00 C ATOM 1009 O LEU A 69 -6.721 0.312 -5.329 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.337 1.687 -2.737 1.00 0.00 C ATOM 1011 CG LEU A 69 -9.386 0.562 -2.872 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -9.380 -0.001 -4.289 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -9.119 -0.581 -1.867 1.00 0.00 C ATOM 0 H LEU A 69 -6.198 2.821 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.867 0.115 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.348 2.080 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.596 2.512 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.362 0.996 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.124 -0.793 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.617 0.793 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.394 -0.406 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.875 -1.356 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.132 -1.005 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.161 -0.189 -0.851 1.00 0.00 H new ATOM 1025 N ASN A 70 -6.346 2.509 -5.013 1.00 0.00 N ATOM 1026 CA ASN A 70 -6.055 2.781 -6.415 1.00 0.00 C ATOM 1027 C ASN A 70 -4.895 1.907 -6.831 1.00 0.00 C ATOM 1028 O ASN A 70 -4.884 1.291 -7.897 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.667 4.255 -6.545 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.278 4.597 -7.979 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -4.108 4.852 -8.257 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -6.188 4.622 -8.912 1.00 0.00 N ATOM 0 H ASN A 70 -6.288 3.326 -4.406 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.918 2.573 -7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.501 4.883 -6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.834 4.475 -5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.929 4.853 -9.871 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.159 4.411 -8.683 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.951 1.851 -5.924 1.00 0.00 N ATOM 1040 CA LEU A 71 -2.755 1.053 -6.060 1.00 0.00 C ATOM 1041 C LEU A 71 -3.140 -0.420 -6.216 1.00 0.00 C ATOM 1042 O LEU A 71 -2.886 -1.038 -7.250 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.971 1.325 -4.771 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.965 0.235 -4.418 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.110 0.144 -5.497 1.00 0.00 C ATOM 1046 CD2 LEU A 71 -0.317 0.626 -3.088 1.00 0.00 C ATOM 0 H LEU A 71 -3.993 2.372 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.156 1.298 -6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.444 2.274 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.675 1.437 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.462 -0.732 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.823 -0.637 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.354 -0.094 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.630 1.099 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.411 -0.132 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.184 1.588 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.084 0.702 -2.318 1.00 0.00 H new ATOM 1058 N MET A 72 -3.748 -0.966 -5.173 1.00 0.00 N ATOM 1059 CA MET A 72 -4.180 -2.361 -5.166 1.00 0.00 C ATOM 1060 C MET A 72 -5.023 -2.671 -6.405 1.00 0.00 C ATOM 1061 O MET A 72 -4.918 -3.754 -6.985 1.00 0.00 O ATOM 1062 CB MET A 72 -5.015 -2.607 -3.884 1.00 0.00 C ATOM 1063 CG MET A 72 -4.251 -3.462 -2.862 1.00 0.00 C ATOM 1064 SD MET A 72 -2.553 -2.865 -2.646 1.00 0.00 S ATOM 1065 CE MET A 72 -1.776 -4.497 -2.497 1.00 0.00 C ATOM 0 H MET A 72 -3.956 -0.461 -4.312 1.00 0.00 H new ATOM 0 HA MET A 72 -3.307 -3.014 -5.180 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.279 -1.650 -3.433 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.949 -3.104 -4.148 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.771 -3.440 -1.904 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.235 -4.501 -3.193 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.702 -4.377 -2.354 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.199 -5.025 -1.643 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.959 -5.071 -3.405 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.852 -1.714 -6.803 1.00 0.00 N ATOM 1076 CA ALA A 73 -6.701 -1.899 -7.970 1.00 0.00 C ATOM 1077 C ALA A 73 -5.856 -1.919 -9.240 1.00 0.00 C ATOM 1078 O ALA A 73 -6.080 -2.728 -10.142 1.00 0.00 O ATOM 1079 CB ALA A 73 -7.724 -0.771 -8.054 1.00 0.00 C ATOM 0 H ALA A 73 -5.953 -0.811 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.222 -2.852 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.356 -0.917 -8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.343 -0.773 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.206 0.185 -8.135 1.00 0.00 H new