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 60 ASN : amide:sc= -5.51! C(o=-6.4!,f=-15!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.91 USER MOD Single : A 5 THR OG1 : rot 24:sc= 0.233 USER MOD Single : A 8 GLN : amide:sc= -0.964 K(o=-0.96,f=-2.9) 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc=0.000467 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc=-0.00979 (180deg=-0.336) USER MOD Single : A 34 THR OG1 : rot 70:sc= 0.531 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -38:sc= 0.161 USER MOD Single : A 41 GLN : amide:sc= -0.396 K(o=-0.4,f=-1.1) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.255! F(o=-0.76,f=-0.26!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.9!) USER MOD Single : A 70 ASN : amide:sc= -0.0366 K(o=-0.037,f=-1.7!) USER MOD Single : A 72 MET CE :methyl -155:sc= -0.216 (180deg=-1.33!) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -15.367 -6.855 -5.866 1.00 0.00 N ATOM 62 CA THR A 5 -16.148 -7.422 -4.758 1.00 0.00 C ATOM 63 C THR A 5 -15.797 -6.757 -3.430 1.00 0.00 C ATOM 64 O THR A 5 -14.887 -5.932 -3.352 1.00 0.00 O ATOM 65 CB THR A 5 -15.880 -8.931 -4.641 1.00 0.00 C ATOM 66 OG1 THR A 5 -16.024 -9.540 -5.915 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.866 -9.578 -3.648 1.00 0.00 C ATOM 0 HA THR A 5 -17.201 -7.242 -4.974 1.00 0.00 H new ATOM 0 HB THR A 5 -14.864 -9.079 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.876 -8.871 -6.616 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.662 -10.646 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.747 -9.120 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.887 -9.426 -3.998 1.00 0.00 H new ATOM 75 N ASP A 6 -16.506 -7.163 -2.382 1.00 0.00 N ATOM 76 CA ASP A 6 -16.257 -6.649 -1.041 1.00 0.00 C ATOM 77 C ASP A 6 -14.985 -7.279 -0.484 1.00 0.00 C ATOM 78 O ASP A 6 -14.174 -6.622 0.164 1.00 0.00 O ATOM 79 CB ASP A 6 -17.432 -6.990 -0.125 1.00 0.00 C ATOM 80 CG ASP A 6 -18.658 -6.181 -0.526 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.492 -5.204 -1.237 1.00 0.00 O ATOM 82 OD2 ASP A 6 -19.746 -6.553 -0.119 1.00 0.00 O ATOM 0 H ASP A 6 -17.259 -7.848 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.142 -5.566 -1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.654 -8.056 -0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.169 -6.778 0.911 1.00 0.00 H new ATOM 87 N GLU A 7 -14.837 -8.567 -0.746 1.00 0.00 N ATOM 88 CA GLU A 7 -13.678 -9.316 -0.277 1.00 0.00 C ATOM 89 C GLU A 7 -12.393 -8.580 -0.615 1.00 0.00 C ATOM 90 O GLU A 7 -11.482 -8.496 0.206 1.00 0.00 O ATOM 91 CB GLU A 7 -13.657 -10.698 -0.931 1.00 0.00 C ATOM 92 CG GLU A 7 -14.854 -11.520 -0.448 1.00 0.00 C ATOM 93 CD GLU A 7 -14.721 -11.810 1.043 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.687 -12.322 1.435 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.654 -11.507 1.769 1.00 0.00 O ATOM 0 H GLU A 7 -15.506 -9.119 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.750 -9.421 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.688 -10.597 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.728 -11.213 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.779 -10.977 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.912 -12.455 -1.005 1.00 0.00 H new ATOM 102 N GLN A 8 -12.326 -8.041 -1.822 1.00 0.00 N ATOM 103 CA GLN A 8 -11.143 -7.309 -2.241 1.00 0.00 C ATOM 104 C GLN A 8 -11.056 -5.992 -1.481 1.00 0.00 C ATOM 105 O GLN A 8 -9.975 -5.456 -1.256 1.00 0.00 O ATOM 106 CB GLN A 8 -11.203 -7.055 -3.762 1.00 0.00 C ATOM 107 CG GLN A 8 -10.578 -8.232 -4.521 1.00 0.00 C ATOM 108 CD GLN A 8 -11.325 -9.522 -4.197 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.555 -9.552 -4.229 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.650 -10.594 -3.882 1.00 0.00 N ATOM 0 H GLN A 8 -13.067 -8.095 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.252 -7.897 -2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.238 -6.920 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.674 -6.134 -4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.613 -8.042 -5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.527 -8.333 -4.249 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.631 -10.566 -3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.142 -11.460 -3.661 1.00 0.00 H new ATOM 119 N ILE A 9 -12.204 -5.500 -1.054 1.00 0.00 N ATOM 120 CA ILE A 9 -12.248 -4.255 -0.295 1.00 0.00 C ATOM 121 C ILE A 9 -11.938 -4.525 1.167 1.00 0.00 C ATOM 122 O ILE A 9 -11.010 -3.948 1.731 1.00 0.00 O ATOM 123 CB ILE A 9 -13.621 -3.607 -0.440 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.803 -3.150 -1.888 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.725 -2.400 0.497 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.264 -2.760 -2.136 1.00 0.00 C ATOM 0 H ILE A 9 -13.112 -5.935 -1.215 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.496 -3.570 -0.687 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.397 -4.327 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.152 -2.301 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.511 -3.949 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.707 -1.940 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.587 -2.727 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.954 -1.673 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.384 -2.436 -3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.907 -3.620 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.542 -1.946 -1.466 1.00 0.00 H new ATOM 138 N SER A 10 -12.719 -5.397 1.779 1.00 0.00 N ATOM 139 CA SER A 10 -12.508 -5.718 3.180 1.00 0.00 C ATOM 140 C SER A 10 -11.093 -6.257 3.384 1.00 0.00 C ATOM 141 O SER A 10 -10.407 -5.870 4.331 1.00 0.00 O ATOM 142 CB SER A 10 -13.529 -6.755 3.640 1.00 0.00 C ATOM 143 OG SER A 10 -13.587 -6.758 5.058 1.00 0.00 O ATOM 0 H SER A 10 -13.495 -5.890 1.336 1.00 0.00 H new ATOM 0 HA SER A 10 -12.633 -4.811 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.510 -6.525 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.251 -7.743 3.274 1.00 0.00 H new ATOM 0 HG SER A 10 -14.243 -7.422 5.357 1.00 0.00 H new ATOM 149 N GLU A 11 -10.653 -7.144 2.487 1.00 0.00 N ATOM 150 CA GLU A 11 -9.311 -7.707 2.588 1.00 0.00 C ATOM 151 C GLU A 11 -8.277 -6.600 2.455 1.00 0.00 C ATOM 152 O GLU A 11 -7.283 -6.577 3.182 1.00 0.00 O ATOM 153 CB GLU A 11 -9.096 -8.749 1.488 1.00 0.00 C ATOM 154 CG GLU A 11 -7.712 -9.393 1.633 1.00 0.00 C ATOM 155 CD GLU A 11 -7.538 -10.481 0.576 1.00 0.00 C ATOM 156 OE1 GLU A 11 -8.371 -10.552 -0.314 1.00 0.00 O ATOM 157 OE2 GLU A 11 -6.577 -11.228 0.671 1.00 0.00 O ATOM 0 H GLU A 11 -11.200 -7.482 1.695 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.201 -8.188 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.870 -9.515 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.186 -8.279 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.935 -8.637 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.601 -9.820 2.630 1.00 0.00 H new ATOM 164 N PHE A 12 -8.534 -5.661 1.549 1.00 0.00 N ATOM 165 CA PHE A 12 -7.642 -4.531 1.360 1.00 0.00 C ATOM 166 C PHE A 12 -7.614 -3.677 2.638 1.00 0.00 C ATOM 167 O PHE A 12 -6.558 -3.265 3.116 1.00 0.00 O ATOM 168 CB PHE A 12 -8.185 -3.692 0.191 1.00 0.00 C ATOM 169 CG PHE A 12 -7.679 -4.199 -1.150 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.396 -5.562 -1.359 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.508 -3.287 -2.200 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.946 -5.995 -2.618 1.00 0.00 C ATOM 173 CE2 PHE A 12 -7.072 -3.721 -3.441 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.788 -5.071 -3.658 1.00 0.00 C ATOM 0 H PHE A 12 -9.351 -5.664 0.938 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.630 -4.875 1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.275 -3.716 0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.888 -2.651 0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.524 -6.272 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.717 -2.240 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.722 -7.039 -2.783 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.951 -3.011 -4.246 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.447 -5.402 -4.628 1.00 0.00 H new ATOM 184 N LYS A 13 -8.802 -3.417 3.167 1.00 0.00 N ATOM 185 CA LYS A 13 -8.965 -2.602 4.367 1.00 0.00 C ATOM 186 C LYS A 13 -8.232 -3.216 5.560 1.00 0.00 C ATOM 187 O LYS A 13 -7.502 -2.524 6.271 1.00 0.00 O ATOM 188 CB LYS A 13 -10.465 -2.489 4.665 1.00 0.00 C ATOM 189 CG LYS A 13 -10.763 -1.240 5.495 1.00 0.00 C ATOM 190 CD LYS A 13 -12.278 -1.111 5.661 1.00 0.00 C ATOM 191 CE LYS A 13 -12.609 0.188 6.391 1.00 0.00 C ATOM 192 NZ LYS A 13 -14.084 0.274 6.605 1.00 0.00 N ATOM 0 H LYS A 13 -9.679 -3.763 2.779 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.534 -1.615 4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.024 -2.451 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.801 -3.376 5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.281 -1.310 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.360 -0.355 5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.762 -1.124 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.666 -1.962 6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.089 0.223 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.264 1.043 5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.312 1.159 7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.570 0.259 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.400 -0.536 7.176 1.00 0.00 H new ATOM 206 N GLU A 14 -8.417 -4.513 5.772 1.00 0.00 N ATOM 207 CA GLU A 14 -7.748 -5.185 6.877 1.00 0.00 C ATOM 208 C GLU A 14 -6.246 -5.111 6.660 1.00 0.00 C ATOM 209 O GLU A 14 -5.482 -4.863 7.589 1.00 0.00 O ATOM 210 CB GLU A 14 -8.190 -6.653 6.947 1.00 0.00 C ATOM 211 CG GLU A 14 -7.581 -7.335 8.179 1.00 0.00 C ATOM 212 CD GLU A 14 -8.255 -6.820 9.445 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.218 -6.082 9.320 1.00 0.00 O ATOM 214 OE2 GLU A 14 -7.800 -7.173 10.521 1.00 0.00 O ATOM 0 H GLU A 14 -9.015 -5.112 5.203 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.012 -4.696 7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.278 -6.711 6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.880 -7.177 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.704 -8.415 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.510 -7.139 8.222 1.00 0.00 H new ATOM 221 N ALA A 15 -5.839 -5.310 5.413 1.00 0.00 N ATOM 222 CA ALA A 15 -4.428 -5.256 5.053 1.00 0.00 C ATOM 223 C ALA A 15 -3.836 -3.897 5.400 1.00 0.00 C ATOM 224 O ALA A 15 -2.755 -3.804 5.978 1.00 0.00 O ATOM 225 CB ALA A 15 -4.275 -5.494 3.546 1.00 0.00 C ATOM 0 H ALA A 15 -6.466 -5.510 4.634 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.899 -6.028 5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.220 -5.454 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.678 -6.474 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.819 -4.724 2.999 1.00 0.00 H new ATOM 231 N PHE A 16 -4.532 -2.843 5.014 1.00 0.00 N ATOM 232 CA PHE A 16 -4.069 -1.486 5.257 1.00 0.00 C ATOM 233 C PHE A 16 -4.063 -1.099 6.744 1.00 0.00 C ATOM 234 O PHE A 16 -3.082 -0.533 7.227 1.00 0.00 O ATOM 235 CB PHE A 16 -4.950 -0.539 4.461 1.00 0.00 C ATOM 236 CG PHE A 16 -4.520 0.882 4.707 1.00 0.00 C ATOM 237 CD1 PHE A 16 -5.028 1.585 5.800 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.607 1.493 3.843 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.622 2.908 6.026 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.202 2.811 4.065 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.708 3.520 5.154 1.00 0.00 C ATOM 0 H PHE A 16 -5.427 -2.900 4.527 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.030 -1.419 4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.882 -0.771 3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.993 -0.668 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.731 1.112 6.469 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.213 0.944 3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.012 3.456 6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.498 3.281 3.394 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.397 4.540 5.326 1.00 0.00 H new ATOM 251 N SER A 17 -5.134 -1.413 7.479 1.00 0.00 N ATOM 252 CA SER A 17 -5.169 -1.081 8.908 1.00 0.00 C ATOM 253 C SER A 17 -4.101 -1.883 9.626 1.00 0.00 C ATOM 254 O SER A 17 -3.478 -1.420 10.583 1.00 0.00 O ATOM 255 CB SER A 17 -6.535 -1.388 9.527 1.00 0.00 C ATOM 256 OG SER A 17 -7.493 -0.460 9.037 1.00 0.00 O ATOM 0 H SER A 17 -5.966 -1.883 7.123 1.00 0.00 H new ATOM 0 HA SER A 17 -4.985 -0.012 9.015 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.838 -2.405 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.476 -1.328 10.614 1.00 0.00 H new ATOM 0 HG SER A 17 -8.369 -0.656 9.431 1.00 0.00 H new ATOM 262 N LEU A 18 -3.891 -3.091 9.127 1.00 0.00 N ATOM 263 CA LEU A 18 -2.891 -3.999 9.656 1.00 0.00 C ATOM 264 C LEU A 18 -1.502 -3.391 9.485 1.00 0.00 C ATOM 265 O LEU A 18 -0.659 -3.477 10.379 1.00 0.00 O ATOM 266 CB LEU A 18 -3.035 -5.312 8.871 1.00 0.00 C ATOM 267 CG LEU A 18 -1.944 -6.323 9.193 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.014 -6.730 10.665 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.183 -7.556 8.310 1.00 0.00 C ATOM 0 H LEU A 18 -4.415 -3.470 8.338 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.028 -4.182 10.722 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.007 -5.754 9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.016 -5.094 7.803 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.962 -5.890 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.228 -7.453 10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.879 -5.849 11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.986 -7.178 10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.417 -8.304 8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.166 -7.974 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.136 -7.266 7.260 1.00 0.00 H new ATOM 281 N PHE A 19 -1.280 -2.757 8.337 1.00 0.00 N ATOM 282 CA PHE A 19 0.004 -2.119 8.064 1.00 0.00 C ATOM 283 C PHE A 19 0.165 -0.842 8.880 1.00 0.00 C ATOM 284 O PHE A 19 1.268 -0.304 8.985 1.00 0.00 O ATOM 285 CB PHE A 19 0.146 -1.794 6.564 1.00 0.00 C ATOM 286 CG PHE A 19 0.240 -3.061 5.722 1.00 0.00 C ATOM 287 CD1 PHE A 19 1.054 -4.130 6.122 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.490 -3.165 4.527 1.00 0.00 C ATOM 289 CE1 PHE A 19 1.139 -5.280 5.349 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.404 -4.330 3.749 1.00 0.00 C ATOM 291 CZ PHE A 19 0.414 -5.384 4.163 1.00 0.00 C ATOM 0 H PHE A 19 -1.966 -2.672 7.587 1.00 0.00 H new ATOM 0 HA PHE A 19 0.787 -2.821 8.352 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.709 -1.202 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.036 -1.184 6.406 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.620 -4.058 7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.118 -2.347 4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.769 -6.097 5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.969 -4.411 2.832 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.485 -6.280 3.564 1.00 0.00 H new ATOM 301 N ASP A 20 -0.930 -0.354 9.455 1.00 0.00 N ATOM 302 CA ASP A 20 -0.873 0.868 10.251 1.00 0.00 C ATOM 303 C ASP A 20 -0.565 0.564 11.720 1.00 0.00 C ATOM 304 O ASP A 20 -1.449 0.631 12.573 1.00 0.00 O ATOM 305 CB ASP A 20 -2.211 1.598 10.155 1.00 0.00 C ATOM 306 CG ASP A 20 -2.411 2.139 8.746 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.573 2.909 8.310 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.405 1.785 8.128 1.00 0.00 O ATOM 0 H ASP A 20 -1.855 -0.778 9.387 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.072 1.494 9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.024 0.919 10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.240 2.416 10.875 1.00 0.00 H new ATOM 313 N LYS A 21 0.689 0.218 12.003 1.00 0.00 N ATOM 314 CA LYS A 21 1.092 -0.113 13.374 1.00 0.00 C ATOM 315 C LYS A 21 0.501 0.868 14.383 1.00 0.00 C ATOM 316 O LYS A 21 0.036 0.461 15.447 1.00 0.00 O ATOM 317 CB LYS A 21 2.620 -0.080 13.506 1.00 0.00 C ATOM 318 CG LYS A 21 3.276 -0.956 12.432 1.00 0.00 C ATOM 319 CD LYS A 21 2.944 -2.430 12.676 1.00 0.00 C ATOM 320 CE LYS A 21 3.867 -3.307 11.831 1.00 0.00 C ATOM 321 NZ LYS A 21 3.623 -4.740 12.159 1.00 0.00 N ATOM 0 H LYS A 21 1.438 0.159 11.313 1.00 0.00 H new ATOM 0 HA LYS A 21 0.716 -1.114 13.585 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.976 0.946 13.413 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.912 -0.430 14.496 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.926 -0.656 11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.356 -0.812 12.445 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.063 -2.671 13.732 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.903 -2.627 12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.686 -3.129 10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.909 -3.050 12.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.250 -5.339 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.816 -4.903 13.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.632 -4.979 11.953 1.00 0.00 H new ATOM 335 N ASP A 22 0.541 2.156 14.062 1.00 0.00 N ATOM 336 CA ASP A 22 0.019 3.178 14.967 1.00 0.00 C ATOM 337 C ASP A 22 -1.492 3.344 14.816 1.00 0.00 C ATOM 338 O ASP A 22 -2.161 3.835 15.725 1.00 0.00 O ATOM 339 CB ASP A 22 0.712 4.510 14.680 1.00 0.00 C ATOM 340 CG ASP A 22 0.482 4.914 13.228 1.00 0.00 C ATOM 341 OD1 ASP A 22 -0.588 4.630 12.720 1.00 0.00 O ATOM 342 OD2 ASP A 22 1.381 5.496 12.645 1.00 0.00 O ATOM 0 H ASP A 22 0.926 2.517 13.189 1.00 0.00 H new ATOM 0 HA ASP A 22 0.221 2.861 15.990 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.326 5.281 15.346 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.780 4.424 14.877 1.00 0.00 H new ATOM 347 N GLY A 23 -2.024 2.946 13.665 1.00 0.00 N ATOM 348 CA GLY A 23 -3.459 3.075 13.422 1.00 0.00 C ATOM 349 C GLY A 23 -3.838 4.536 13.185 1.00 0.00 C ATOM 350 O GLY A 23 -4.960 4.949 13.477 1.00 0.00 O ATOM 0 H GLY A 23 -1.494 2.537 12.895 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.741 2.476 12.556 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.014 2.684 14.275 1.00 0.00 H new ATOM 354 N ASP A 24 -2.889 5.319 12.667 1.00 0.00 N ATOM 355 CA ASP A 24 -3.134 6.737 12.410 1.00 0.00 C ATOM 356 C ASP A 24 -3.880 6.939 11.096 1.00 0.00 C ATOM 357 O ASP A 24 -4.252 8.061 10.753 1.00 0.00 O ATOM 358 CB ASP A 24 -1.806 7.496 12.359 1.00 0.00 C ATOM 359 CG ASP A 24 -0.867 6.847 11.345 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.326 5.997 10.600 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.296 7.211 11.330 1.00 0.00 O ATOM 0 H ASP A 24 -1.953 4.998 12.420 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.750 7.123 13.222 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.984 8.537 12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.342 7.499 13.345 1.00 0.00 H new ATOM 366 N GLY A 25 -4.107 5.852 10.370 1.00 0.00 N ATOM 367 CA GLY A 25 -4.817 5.930 9.100 1.00 0.00 C ATOM 368 C GLY A 25 -3.872 6.281 7.956 1.00 0.00 C ATOM 369 O GLY A 25 -4.318 6.606 6.856 1.00 0.00 O ATOM 0 H GLY A 25 -3.812 4.912 10.636 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.302 4.976 8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.605 6.681 9.167 1.00 0.00 H new ATOM 373 N CYS A 26 -2.566 6.203 8.208 1.00 0.00 N ATOM 374 CA CYS A 26 -1.577 6.508 7.172 1.00 0.00 C ATOM 375 C CYS A 26 -0.372 5.584 7.280 1.00 0.00 C ATOM 376 O CYS A 26 0.231 5.457 8.342 1.00 0.00 O ATOM 377 CB CYS A 26 -1.114 7.963 7.289 1.00 0.00 C ATOM 378 SG CYS A 26 -2.556 9.053 7.369 1.00 0.00 S ATOM 0 H CYS A 26 -2.170 5.935 9.109 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.052 6.355 6.203 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.500 8.089 8.181 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.492 8.228 6.434 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.162 10.288 7.470 1.00 0.00 H new ATOM 384 N ILE A 27 -0.003 4.963 6.159 1.00 0.00 N ATOM 385 CA ILE A 27 1.160 4.078 6.123 1.00 0.00 C ATOM 386 C ILE A 27 2.335 4.871 5.585 1.00 0.00 C ATOM 387 O ILE A 27 2.261 5.411 4.482 1.00 0.00 O ATOM 388 CB ILE A 27 0.915 2.884 5.183 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.311 2.097 5.639 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.137 1.950 5.177 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.669 1.058 4.572 1.00 0.00 C ATOM 0 H ILE A 27 -0.491 5.056 5.268 1.00 0.00 H new ATOM 0 HA ILE A 27 1.352 3.701 7.128 1.00 0.00 H new ATOM 0 HB ILE A 27 0.748 3.270 4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.108 1.604 6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.151 2.772 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.950 1.110 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.013 2.499 4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.315 1.578 6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.544 0.493 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.888 1.563 3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.170 0.377 4.431 1.00 0.00 H new ATOM 403 N THR A 28 3.420 4.938 6.345 1.00 0.00 N ATOM 404 CA THR A 28 4.603 5.663 5.894 1.00 0.00 C ATOM 405 C THR A 28 5.574 4.654 5.286 1.00 0.00 C ATOM 406 O THR A 28 5.359 3.446 5.386 1.00 0.00 O ATOM 407 CB THR A 28 5.244 6.431 7.058 1.00 0.00 C ATOM 408 OG1 THR A 28 6.057 5.556 7.823 1.00 0.00 O ATOM 409 CG2 THR A 28 4.145 7.024 7.952 1.00 0.00 C ATOM 0 H THR A 28 3.507 4.506 7.265 1.00 0.00 H new ATOM 0 HA THR A 28 4.330 6.402 5.141 1.00 0.00 H new ATOM 0 HB THR A 28 5.861 7.236 6.658 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.465 6.052 8.563 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.602 7.569 8.778 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.527 7.705 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.524 6.220 8.347 1.00 0.00 H new ATOM 417 N THR A 29 6.622 5.136 4.638 1.00 0.00 N ATOM 418 CA THR A 29 7.580 4.236 4.007 1.00 0.00 C ATOM 419 C THR A 29 8.238 3.329 5.048 1.00 0.00 C ATOM 420 O THR A 29 8.662 2.214 4.740 1.00 0.00 O ATOM 421 CB THR A 29 8.646 5.045 3.272 1.00 0.00 C ATOM 422 OG1 THR A 29 9.168 6.035 4.147 1.00 0.00 O ATOM 423 CG2 THR A 29 8.026 5.716 2.045 1.00 0.00 C ATOM 0 H THR A 29 6.831 6.129 4.534 1.00 0.00 H new ATOM 0 HA THR A 29 7.047 3.609 3.292 1.00 0.00 H new ATOM 0 HB THR A 29 9.450 4.383 2.949 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.854 6.556 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.788 6.293 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.626 4.954 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.222 6.380 2.361 1.00 0.00 H new ATOM 431 N LYS A 30 8.316 3.823 6.279 1.00 0.00 N ATOM 432 CA LYS A 30 8.916 3.053 7.373 1.00 0.00 C ATOM 433 C LYS A 30 8.094 1.803 7.659 1.00 0.00 C ATOM 434 O LYS A 30 8.626 0.692 7.730 1.00 0.00 O ATOM 435 CB LYS A 30 8.980 3.913 8.634 1.00 0.00 C ATOM 436 CG LYS A 30 9.701 3.153 9.751 1.00 0.00 C ATOM 437 CD LYS A 30 9.828 4.064 10.976 1.00 0.00 C ATOM 438 CE LYS A 30 10.540 3.323 12.112 1.00 0.00 C ATOM 439 NZ LYS A 30 11.943 3.013 11.712 1.00 0.00 N ATOM 0 H LYS A 30 7.975 4.746 6.548 1.00 0.00 H new ATOM 0 HA LYS A 30 9.922 2.756 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.503 4.846 8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.973 4.178 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.148 2.250 10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.688 2.836 9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.384 4.964 10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.839 4.385 11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.536 3.933 13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.007 2.402 12.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.497 2.763 12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.946 2.214 11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.366 3.846 11.254 1.00 0.00 H new ATOM 453 N GLU A 31 6.790 1.996 7.789 1.00 0.00 N ATOM 454 CA GLU A 31 5.873 0.895 8.028 1.00 0.00 C ATOM 455 C GLU A 31 5.842 0.009 6.801 1.00 0.00 C ATOM 456 O GLU A 31 5.864 -1.217 6.896 1.00 0.00 O ATOM 457 CB GLU A 31 4.481 1.455 8.300 1.00 0.00 C ATOM 458 CG GLU A 31 4.480 2.177 9.648 1.00 0.00 C ATOM 459 CD GLU A 31 3.140 2.870 9.865 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.260 2.682 9.042 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.014 3.580 10.849 1.00 0.00 O ATOM 0 H GLU A 31 6.342 2.911 7.732 1.00 0.00 H new ATOM 0 HA GLU A 31 6.199 0.312 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.192 2.143 7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.747 0.649 8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.665 1.465 10.452 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.287 2.909 9.679 1.00 0.00 H new ATOM 468 N LEU A 32 5.819 0.650 5.641 1.00 0.00 N ATOM 469 CA LEU A 32 5.821 -0.077 4.390 1.00 0.00 C ATOM 470 C LEU A 32 7.100 -0.888 4.330 1.00 0.00 C ATOM 471 O LEU A 32 7.091 -2.062 3.967 1.00 0.00 O ATOM 472 CB LEU A 32 5.747 0.918 3.221 1.00 0.00 C ATOM 473 CG LEU A 32 5.282 0.230 1.919 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.685 1.277 0.972 1.00 0.00 C ATOM 475 CD2 LEU A 32 6.467 -0.457 1.226 1.00 0.00 C ATOM 0 H LEU A 32 5.799 1.665 5.545 1.00 0.00 H new ATOM 0 HA LEU A 32 4.961 -0.743 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.059 1.725 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.726 1.370 3.065 1.00 0.00 H new ATOM 0 HG LEU A 32 4.530 -0.519 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.357 0.791 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.833 1.758 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.440 2.027 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.124 -0.938 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.227 0.286 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.893 -1.208 1.892 1.00 0.00 H new ATOM 487 N GLY A 33 8.201 -0.257 4.728 1.00 0.00 N ATOM 488 CA GLY A 33 9.481 -0.944 4.754 1.00 0.00 C ATOM 489 C GLY A 33 9.458 -2.068 5.786 1.00 0.00 C ATOM 490 O GLY A 33 9.912 -3.181 5.513 1.00 0.00 O ATOM 0 H GLY A 33 8.230 0.716 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.703 -1.351 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.276 -0.238 4.993 1.00 0.00 H new ATOM 494 N THR A 34 8.907 -1.783 6.973 1.00 0.00 N ATOM 495 CA THR A 34 8.821 -2.800 8.021 1.00 0.00 C ATOM 496 C THR A 34 8.222 -4.053 7.411 1.00 0.00 C ATOM 497 O THR A 34 8.712 -5.166 7.593 1.00 0.00 O ATOM 498 CB THR A 34 7.903 -2.306 9.149 1.00 0.00 C ATOM 499 OG1 THR A 34 8.289 -0.994 9.537 1.00 0.00 O ATOM 500 CG2 THR A 34 7.991 -3.244 10.356 1.00 0.00 C ATOM 0 H THR A 34 8.521 -0.873 7.226 1.00 0.00 H new ATOM 0 HA THR A 34 9.812 -3.002 8.428 1.00 0.00 H new ATOM 0 HB THR A 34 6.875 -2.293 8.786 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.070 -0.363 8.820 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.335 -2.881 11.147 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.683 -4.247 10.061 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.018 -3.273 10.720 1.00 0.00 H new ATOM 508 N VAL A 35 7.137 -3.825 6.699 1.00 0.00 N ATOM 509 CA VAL A 35 6.409 -4.888 6.047 1.00 0.00 C ATOM 510 C VAL A 35 7.243 -5.546 4.946 1.00 0.00 C ATOM 511 O VAL A 35 7.395 -6.766 4.933 1.00 0.00 O ATOM 512 CB VAL A 35 5.127 -4.282 5.476 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.358 -5.304 4.636 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.265 -3.812 6.645 1.00 0.00 C ATOM 0 H VAL A 35 6.737 -2.897 6.558 1.00 0.00 H new ATOM 0 HA VAL A 35 6.173 -5.674 6.765 1.00 0.00 H new ATOM 0 HB VAL A 35 5.380 -3.446 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.451 -4.844 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.983 -5.638 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.091 -6.159 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.342 -3.375 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.027 -4.661 7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.810 -3.064 7.221 1.00 0.00 H new ATOM 524 N MET A 36 7.798 -4.743 4.040 1.00 0.00 N ATOM 525 CA MET A 36 8.612 -5.295 2.962 1.00 0.00 C ATOM 526 C MET A 36 9.817 -6.020 3.555 1.00 0.00 C ATOM 527 O MET A 36 10.138 -7.145 3.180 1.00 0.00 O ATOM 528 CB MET A 36 9.074 -4.153 2.051 1.00 0.00 C ATOM 529 CG MET A 36 7.936 -3.758 1.104 1.00 0.00 C ATOM 530 SD MET A 36 7.722 -5.043 -0.158 1.00 0.00 S ATOM 531 CE MET A 36 7.622 -3.955 -1.602 1.00 0.00 C ATOM 0 H MET A 36 7.701 -3.728 4.030 1.00 0.00 H new ATOM 0 HA MET A 36 8.027 -6.006 2.378 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.375 -3.295 2.651 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.947 -4.463 1.477 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.011 -3.628 1.665 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.159 -2.802 0.630 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.487 -4.556 -2.502 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.776 -3.277 -1.489 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.542 -3.377 -1.686 1.00 0.00 H new ATOM 541 N ARG A 37 10.462 -5.366 4.511 1.00 0.00 N ATOM 542 CA ARG A 37 11.621 -5.935 5.185 1.00 0.00 C ATOM 543 C ARG A 37 11.330 -7.341 5.669 1.00 0.00 C ATOM 544 O ARG A 37 12.099 -8.278 5.440 1.00 0.00 O ATOM 545 CB ARG A 37 11.919 -5.073 6.406 1.00 0.00 C ATOM 546 CG ARG A 37 13.202 -5.544 7.104 1.00 0.00 C ATOM 547 CD ARG A 37 14.416 -5.358 6.181 1.00 0.00 C ATOM 548 NE ARG A 37 15.630 -5.191 6.973 1.00 0.00 N ATOM 549 CZ ARG A 37 16.334 -6.239 7.388 1.00 0.00 C ATOM 550 NH1 ARG A 37 15.950 -7.448 7.084 1.00 0.00 N ATOM 551 NH2 ARG A 37 17.414 -6.054 8.095 1.00 0.00 N ATOM 0 H ARG A 37 10.201 -4.436 4.839 1.00 0.00 H new ATOM 0 HA ARG A 37 12.459 -5.965 4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.025 -4.031 6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.082 -5.119 7.103 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.349 -4.981 8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.107 -6.593 7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.518 -6.221 5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.267 -4.487 5.543 1.00 0.00 H new ATOM 0 HE ARG A 37 15.945 -4.251 7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.108 -7.591 6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.492 -8.251 7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.715 -5.108 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.957 -6.856 8.416 1.00 0.00 H new ATOM 565 N SER A 38 10.225 -7.454 6.370 1.00 0.00 N ATOM 566 CA SER A 38 9.799 -8.725 6.938 1.00 0.00 C ATOM 567 C SER A 38 9.251 -9.669 5.870 1.00 0.00 C ATOM 568 O SER A 38 9.084 -10.863 6.120 1.00 0.00 O ATOM 569 CB SER A 38 8.722 -8.473 7.989 1.00 0.00 C ATOM 570 OG SER A 38 8.502 -9.663 8.731 1.00 0.00 O ATOM 0 H SER A 38 9.595 -6.676 6.565 1.00 0.00 H new ATOM 0 HA SER A 38 10.670 -9.199 7.390 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.030 -7.667 8.655 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.797 -8.154 7.509 1.00 0.00 H new ATOM 0 HG SER A 38 8.550 -10.436 8.131 1.00 0.00 H new ATOM 576 N LEU A 39 8.939 -9.131 4.691 1.00 0.00 N ATOM 577 CA LEU A 39 8.375 -9.942 3.601 1.00 0.00 C ATOM 578 C LEU A 39 9.470 -10.462 2.651 1.00 0.00 C ATOM 579 O LEU A 39 9.266 -10.562 1.443 1.00 0.00 O ATOM 580 CB LEU A 39 7.313 -9.099 2.839 1.00 0.00 C ATOM 581 CG LEU A 39 5.888 -9.454 3.311 1.00 0.00 C ATOM 582 CD1 LEU A 39 5.693 -9.073 4.785 1.00 0.00 C ATOM 583 CD2 LEU A 39 4.858 -8.703 2.455 1.00 0.00 C ATOM 0 H LEU A 39 9.064 -8.145 4.463 1.00 0.00 H new ATOM 0 HA LEU A 39 7.895 -10.823 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.500 -8.038 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.401 -9.278 1.767 1.00 0.00 H new ATOM 0 HG LEU A 39 5.748 -10.530 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.681 -9.332 5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.412 -9.615 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.847 -8.001 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.852 -8.956 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.015 -7.629 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.975 -8.990 1.410 1.00 0.00 H new ATOM 595 N GLY A 40 10.621 -10.827 3.205 1.00 0.00 N ATOM 596 CA GLY A 40 11.702 -11.364 2.382 1.00 0.00 C ATOM 597 C GLY A 40 12.190 -10.343 1.361 1.00 0.00 C ATOM 598 O GLY A 40 13.052 -10.642 0.536 1.00 0.00 O ATOM 0 H GLY A 40 10.829 -10.763 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.532 -11.665 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.356 -12.259 1.865 1.00 0.00 H new ATOM 602 N GLN A 41 11.646 -9.133 1.432 1.00 0.00 N ATOM 603 CA GLN A 41 12.037 -8.059 0.520 1.00 0.00 C ATOM 604 C GLN A 41 13.010 -7.120 1.231 1.00 0.00 C ATOM 605 O GLN A 41 12.942 -6.958 2.448 1.00 0.00 O ATOM 606 CB GLN A 41 10.793 -7.282 0.069 1.00 0.00 C ATOM 607 CG GLN A 41 9.970 -8.137 -0.894 1.00 0.00 C ATOM 608 CD GLN A 41 10.656 -8.187 -2.251 1.00 0.00 C ATOM 609 OE1 GLN A 41 11.545 -9.010 -2.469 1.00 0.00 O ATOM 610 NE2 GLN A 41 10.296 -7.345 -3.179 1.00 0.00 N ATOM 0 H GLN A 41 10.932 -8.869 2.111 1.00 0.00 H new ATOM 0 HA GLN A 41 12.524 -8.485 -0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.189 -7.010 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.090 -6.353 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.858 -9.145 -0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.967 -7.722 -0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.559 -6.665 -2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.752 -7.366 -4.091 1.00 0.00 H new ATOM 619 N ASN A 42 13.922 -6.509 0.474 1.00 0.00 N ATOM 620 CA ASN A 42 14.908 -5.595 1.061 1.00 0.00 C ATOM 621 C ASN A 42 15.147 -4.385 0.160 1.00 0.00 C ATOM 622 O ASN A 42 16.233 -4.233 -0.401 1.00 0.00 O ATOM 623 CB ASN A 42 16.237 -6.326 1.269 1.00 0.00 C ATOM 624 CG ASN A 42 16.642 -7.050 -0.009 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.291 -8.294 -0.180 1.00 0.00 O flip ATOM 626 ND2 ASN A 42 17.300 -6.468 -0.873 1.00 0.00 N flip ATOM 0 H ASN A 42 14.000 -6.627 -0.536 1.00 0.00 H new ATOM 0 HA ASN A 42 14.514 -5.250 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.012 -5.614 1.554 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.144 -7.040 2.087 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.573 -5.495 -0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.571 -6.959 -1.725 1.00 0.00 H new ATOM 633 N PRO A 43 14.175 -3.522 0.012 1.00 0.00 N ATOM 634 CA PRO A 43 14.312 -2.305 -0.838 1.00 0.00 C ATOM 635 C PRO A 43 15.170 -1.245 -0.163 1.00 0.00 C ATOM 636 O PRO A 43 15.288 -1.218 1.061 1.00 0.00 O ATOM 637 CB PRO A 43 12.867 -1.817 -0.992 1.00 0.00 C ATOM 638 CG PRO A 43 12.217 -2.234 0.282 1.00 0.00 C ATOM 639 CD PRO A 43 12.835 -3.593 0.635 1.00 0.00 C ATOM 0 HA PRO A 43 14.802 -2.512 -1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.822 -0.737 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.381 -2.270 -1.856 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.398 -1.504 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.136 -2.314 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.899 -3.739 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.247 -4.419 0.235 1.00 0.00 H new ATOM 647 N THR A 44 15.720 -0.341 -0.961 1.00 0.00 N ATOM 648 CA THR A 44 16.507 0.758 -0.418 1.00 0.00 C ATOM 649 C THR A 44 15.590 1.956 -0.230 1.00 0.00 C ATOM 650 O THR A 44 14.463 1.969 -0.724 1.00 0.00 O ATOM 651 CB THR A 44 17.665 1.112 -1.350 1.00 0.00 C ATOM 652 OG1 THR A 44 17.197 1.173 -2.688 1.00 0.00 O ATOM 653 CG2 THR A 44 18.754 0.047 -1.231 1.00 0.00 C ATOM 0 H THR A 44 15.637 -0.345 -1.978 1.00 0.00 H new ATOM 0 HA THR A 44 16.937 0.462 0.539 1.00 0.00 H new ATOM 0 HB THR A 44 18.076 2.082 -1.070 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.940 1.402 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.582 0.297 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.113 0.007 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.345 -0.924 -1.510 1.00 0.00 H new ATOM 661 N GLU A 45 16.050 2.947 0.502 1.00 0.00 N ATOM 662 CA GLU A 45 15.224 4.110 0.764 1.00 0.00 C ATOM 663 C GLU A 45 14.833 4.829 -0.529 1.00 0.00 C ATOM 664 O GLU A 45 13.737 5.378 -0.627 1.00 0.00 O ATOM 665 CB GLU A 45 15.961 5.066 1.692 1.00 0.00 C ATOM 666 CG GLU A 45 15.019 6.190 2.114 1.00 0.00 C ATOM 667 CD GLU A 45 15.732 7.112 3.094 1.00 0.00 C ATOM 668 OE1 GLU A 45 16.935 6.969 3.239 1.00 0.00 O ATOM 669 OE2 GLU A 45 15.066 7.943 3.688 1.00 0.00 O ATOM 0 H GLU A 45 16.979 2.974 0.923 1.00 0.00 H new ATOM 0 HA GLU A 45 14.306 3.770 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.323 4.531 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.835 5.479 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.694 6.754 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.124 5.774 2.576 1.00 0.00 H new ATOM 676 N ALA A 46 15.714 4.815 -1.527 1.00 0.00 N ATOM 677 CA ALA A 46 15.401 5.466 -2.799 1.00 0.00 C ATOM 678 C ALA A 46 14.187 4.808 -3.416 1.00 0.00 C ATOM 679 O ALA A 46 13.303 5.474 -3.954 1.00 0.00 O ATOM 680 CB ALA A 46 16.581 5.323 -3.765 1.00 0.00 C ATOM 0 H ALA A 46 16.631 4.371 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 46 15.204 6.522 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.339 5.811 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.465 5.790 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.780 4.266 -3.943 1.00 0.00 H new ATOM 686 N GLU A 47 14.169 3.488 -3.344 1.00 0.00 N ATOM 687 CA GLU A 47 13.088 2.705 -3.905 1.00 0.00 C ATOM 688 C GLU A 47 11.758 3.033 -3.224 1.00 0.00 C ATOM 689 O GLU A 47 10.753 3.267 -3.896 1.00 0.00 O ATOM 690 CB GLU A 47 13.446 1.227 -3.742 1.00 0.00 C ATOM 691 CG GLU A 47 14.681 0.938 -4.602 1.00 0.00 C ATOM 692 CD GLU A 47 15.131 -0.509 -4.443 1.00 0.00 C ATOM 693 OE1 GLU A 47 14.448 -1.257 -3.764 1.00 0.00 O ATOM 694 OE2 GLU A 47 16.157 -0.851 -5.010 1.00 0.00 O ATOM 0 H GLU A 47 14.900 2.934 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 47 12.963 2.943 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.649 0.998 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.612 0.597 -4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.455 1.139 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.492 1.608 -4.317 1.00 0.00 H new ATOM 701 N LEU A 48 11.758 3.064 -1.892 1.00 0.00 N ATOM 702 CA LEU A 48 10.540 3.378 -1.137 1.00 0.00 C ATOM 703 C LEU A 48 10.081 4.808 -1.399 1.00 0.00 C ATOM 704 O LEU A 48 8.889 5.075 -1.563 1.00 0.00 O ATOM 705 CB LEU A 48 10.808 3.241 0.352 1.00 0.00 C ATOM 706 CG LEU A 48 11.407 1.874 0.642 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.754 1.798 2.129 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.401 0.777 0.269 1.00 0.00 C ATOM 0 H LEU A 48 12.578 2.878 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 48 9.765 2.682 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.490 4.025 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.881 3.369 0.911 1.00 0.00 H new ATOM 0 HG LEU A 48 12.310 1.726 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.185 0.822 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.475 2.578 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.850 1.940 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.835 -0.201 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.491 0.903 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.162 0.848 -0.792 1.00 0.00 H new ATOM 720 N GLN A 49 11.042 5.719 -1.440 1.00 0.00 N ATOM 721 CA GLN A 49 10.749 7.126 -1.681 1.00 0.00 C ATOM 722 C GLN A 49 10.114 7.276 -3.052 1.00 0.00 C ATOM 723 O GLN A 49 9.182 8.049 -3.251 1.00 0.00 O ATOM 724 CB GLN A 49 12.044 7.933 -1.626 1.00 0.00 C ATOM 725 CG GLN A 49 11.743 9.420 -1.812 1.00 0.00 C ATOM 726 CD GLN A 49 13.031 10.220 -1.648 1.00 0.00 C ATOM 727 OE1 GLN A 49 14.061 9.863 -2.217 1.00 0.00 O ATOM 728 NE2 GLN A 49 13.036 11.283 -0.891 1.00 0.00 N ATOM 0 H GLN A 49 12.032 5.510 -1.310 1.00 0.00 H new ATOM 0 HA GLN A 49 10.063 7.494 -0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.542 7.771 -0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.728 7.592 -2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.316 9.595 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.003 9.747 -1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.181 11.578 -0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.895 11.819 -0.771 1.00 0.00 H new ATOM 737 N ASP A 50 10.634 6.518 -3.997 1.00 0.00 N ATOM 738 CA ASP A 50 10.126 6.545 -5.347 1.00 0.00 C ATOM 739 C ASP A 50 8.835 5.730 -5.441 1.00 0.00 C ATOM 740 O ASP A 50 7.996 5.962 -6.316 1.00 0.00 O ATOM 741 CB ASP A 50 11.193 5.965 -6.260 1.00 0.00 C ATOM 742 CG ASP A 50 12.381 6.919 -6.324 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.183 8.094 -6.062 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.470 6.460 -6.621 1.00 0.00 O ATOM 0 H ASP A 50 11.411 5.874 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 50 9.896 7.567 -5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.514 4.992 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.786 5.807 -7.259 1.00 0.00 H new ATOM 749 N MET A 51 8.679 4.781 -4.522 1.00 0.00 N ATOM 750 CA MET A 51 7.485 3.945 -4.492 1.00 0.00 C ATOM 751 C MET A 51 6.291 4.767 -4.028 1.00 0.00 C ATOM 752 O MET A 51 5.213 4.731 -4.625 1.00 0.00 O ATOM 753 CB MET A 51 7.704 2.777 -3.524 1.00 0.00 C ATOM 754 CG MET A 51 6.533 1.799 -3.610 1.00 0.00 C ATOM 755 SD MET A 51 6.898 0.334 -2.608 1.00 0.00 S ATOM 756 CE MET A 51 7.730 -0.631 -3.895 1.00 0.00 C ATOM 0 H MET A 51 9.361 4.573 -3.792 1.00 0.00 H new ATOM 0 HA MET A 51 7.291 3.561 -5.493 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.635 2.264 -3.765 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.801 3.152 -2.505 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.619 2.277 -3.256 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.361 1.510 -4.647 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.044 -1.591 -3.484 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.044 -0.798 -4.725 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.604 -0.085 -4.251 1.00 0.00 H new ATOM 766 N ILE A 52 6.508 5.510 -2.952 1.00 0.00 N ATOM 767 CA ILE A 52 5.472 6.353 -2.374 1.00 0.00 C ATOM 768 C ILE A 52 5.131 7.506 -3.328 1.00 0.00 C ATOM 769 O ILE A 52 3.971 7.891 -3.475 1.00 0.00 O ATOM 770 CB ILE A 52 5.972 6.876 -0.995 1.00 0.00 C ATOM 771 CG1 ILE A 52 4.793 7.015 -0.012 1.00 0.00 C ATOM 772 CG2 ILE A 52 6.671 8.240 -1.128 1.00 0.00 C ATOM 773 CD1 ILE A 52 4.515 5.668 0.660 1.00 0.00 C ATOM 0 H ILE A 52 7.400 5.546 -2.459 1.00 0.00 H new ATOM 0 HA ILE A 52 4.557 5.780 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 52 6.689 6.148 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.024 7.767 0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.904 7.357 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.007 8.574 -0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.530 8.145 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.972 8.968 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.681 5.773 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.265 4.927 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.401 5.344 1.205 1.00 0.00 H new ATOM 785 N ASN A 53 6.165 8.064 -3.939 1.00 0.00 N ATOM 786 CA ASN A 53 6.011 9.191 -4.853 1.00 0.00 C ATOM 787 C ASN A 53 5.224 8.823 -6.116 1.00 0.00 C ATOM 788 O ASN A 53 4.452 9.642 -6.617 1.00 0.00 O ATOM 789 CB ASN A 53 7.393 9.735 -5.227 1.00 0.00 C ATOM 790 CG ASN A 53 8.016 10.461 -4.034 1.00 0.00 C ATOM 791 OD1 ASN A 53 7.309 10.843 -3.101 1.00 0.00 O ATOM 792 ND2 ASN A 53 9.303 10.678 -4.009 1.00 0.00 N ATOM 0 H ASN A 53 7.129 7.753 -3.818 1.00 0.00 H new ATOM 0 HA ASN A 53 5.434 9.958 -4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.041 8.917 -5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.307 10.417 -6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.723 11.164 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.889 10.362 -4.782 1.00 0.00 H new ATOM 799 N GLU A 54 5.416 7.609 -6.641 1.00 0.00 N ATOM 800 CA GLU A 54 4.712 7.189 -7.841 1.00 0.00 C ATOM 801 C GLU A 54 3.220 7.126 -7.559 1.00 0.00 C ATOM 802 O GLU A 54 2.390 7.449 -8.413 1.00 0.00 O ATOM 803 CB GLU A 54 5.249 5.812 -8.245 1.00 0.00 C ATOM 804 CG GLU A 54 4.463 5.241 -9.419 1.00 0.00 C ATOM 805 CD GLU A 54 4.706 6.068 -10.678 1.00 0.00 C ATOM 806 OE1 GLU A 54 5.574 6.923 -10.645 1.00 0.00 O ATOM 807 OE2 GLU A 54 4.018 5.832 -11.659 1.00 0.00 O ATOM 0 H GLU A 54 6.049 6.910 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 54 4.872 7.897 -8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.302 5.893 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.188 5.131 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.759 4.207 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.399 5.232 -9.182 1.00 0.00 H new ATOM 814 N VAL A 55 2.899 6.699 -6.347 1.00 0.00 N ATOM 815 CA VAL A 55 1.516 6.575 -5.906 1.00 0.00 C ATOM 816 C VAL A 55 1.226 7.646 -4.878 1.00 0.00 C ATOM 817 O VAL A 55 1.038 7.350 -3.699 1.00 0.00 O ATOM 818 CB VAL A 55 1.321 5.208 -5.243 1.00 0.00 C ATOM 819 CG1 VAL A 55 2.306 5.080 -4.033 1.00 0.00 C ATOM 820 CG2 VAL A 55 -0.161 5.044 -4.771 1.00 0.00 C ATOM 0 H VAL A 55 3.586 6.429 -5.643 1.00 0.00 H new ATOM 0 HA VAL A 55 0.850 6.680 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 55 1.535 4.417 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.172 4.109 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.332 5.172 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.100 5.870 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.287 4.069 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.403 5.827 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.827 5.122 -5.630 1.00 0.00 H new ATOM 830 N ASP A 56 1.202 8.893 -5.306 1.00 0.00 N ATOM 831 CA ASP A 56 0.958 9.990 -4.389 1.00 0.00 C ATOM 832 C ASP A 56 -0.042 10.968 -5.005 1.00 0.00 C ATOM 833 O ASP A 56 0.184 12.177 -5.001 1.00 0.00 O ATOM 834 CB ASP A 56 2.313 10.670 -4.103 1.00 0.00 C ATOM 835 CG ASP A 56 2.450 11.053 -2.632 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.432 11.178 -1.974 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.576 11.214 -2.191 1.00 0.00 O ATOM 0 H ASP A 56 1.347 9.171 -6.276 1.00 0.00 H new ATOM 0 HA ASP A 56 0.526 9.633 -3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.124 9.997 -4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.411 11.562 -4.722 1.00 0.00 H new ATOM 842 N ALA A 57 -1.147 10.423 -5.538 1.00 0.00 N ATOM 843 CA ALA A 57 -2.198 11.243 -6.160 1.00 0.00 C ATOM 844 C ALA A 57 -2.345 12.574 -5.434 1.00 0.00 C ATOM 845 O ALA A 57 -2.734 13.580 -6.026 1.00 0.00 O ATOM 846 CB ALA A 57 -3.539 10.505 -6.102 1.00 0.00 C ATOM 0 H ALA A 57 -1.335 9.421 -5.551 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.913 11.426 -7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.312 11.118 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.457 9.559 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.803 10.311 -5.062 1.00 0.00 H new ATOM 852 N ASP A 58 -2.047 12.558 -4.136 1.00 0.00 N ATOM 853 CA ASP A 58 -2.153 13.754 -3.303 1.00 0.00 C ATOM 854 C ASP A 58 -0.798 14.442 -3.136 1.00 0.00 C ATOM 855 O ASP A 58 -0.718 15.669 -3.126 1.00 0.00 O ATOM 856 CB ASP A 58 -2.692 13.365 -1.929 1.00 0.00 C ATOM 857 CG ASP A 58 -1.759 12.359 -1.270 1.00 0.00 C ATOM 858 OD1 ASP A 58 -0.905 11.828 -1.961 1.00 0.00 O ATOM 859 OD2 ASP A 58 -1.916 12.133 -0.085 1.00 0.00 O ATOM 0 H ASP A 58 -1.729 11.727 -3.637 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.831 14.452 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.786 14.251 -1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.690 12.937 -2.028 1.00 0.00 H new ATOM 864 N GLY A 59 0.265 13.651 -3.000 1.00 0.00 N ATOM 865 CA GLY A 59 1.610 14.209 -2.825 1.00 0.00 C ATOM 866 C GLY A 59 1.944 14.390 -1.343 1.00 0.00 C ATOM 867 O GLY A 59 2.918 15.060 -0.996 1.00 0.00 O ATOM 0 H GLY A 59 0.225 12.632 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.344 13.549 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.678 15.169 -3.336 1.00 0.00 H new ATOM 871 N ASN A 60 1.130 13.799 -0.474 1.00 0.00 N ATOM 872 CA ASN A 60 1.346 13.912 0.966 1.00 0.00 C ATOM 873 C ASN A 60 2.585 13.131 1.405 1.00 0.00 C ATOM 874 O ASN A 60 3.191 13.445 2.428 1.00 0.00 O ATOM 875 CB ASN A 60 0.120 13.396 1.722 1.00 0.00 C ATOM 876 CG ASN A 60 0.032 11.876 1.609 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.670 11.280 0.743 1.00 0.00 O ATOM 878 ND2 ASN A 60 -0.723 11.214 2.442 1.00 0.00 N ATOM 0 H ASN A 60 0.319 13.240 -0.739 1.00 0.00 H new ATOM 0 HA ASN A 60 1.504 14.965 1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.181 13.687 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.784 13.851 1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.786 10.198 2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.250 11.712 3.159 1.00 0.00 H new ATOM 885 N GLY A 61 2.959 12.108 0.638 1.00 0.00 N ATOM 886 CA GLY A 61 4.132 11.299 0.973 1.00 0.00 C ATOM 887 C GLY A 61 3.758 10.106 1.850 1.00 0.00 C ATOM 888 O GLY A 61 4.629 9.385 2.331 1.00 0.00 O ATOM 0 H GLY A 61 2.473 11.821 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.604 10.944 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.865 11.917 1.491 1.00 0.00 H new ATOM 892 N THR A 62 2.460 9.888 2.036 1.00 0.00 N ATOM 893 CA THR A 62 1.983 8.756 2.829 1.00 0.00 C ATOM 894 C THR A 62 0.708 8.215 2.209 1.00 0.00 C ATOM 895 O THR A 62 0.035 8.910 1.450 1.00 0.00 O ATOM 896 CB THR A 62 1.768 9.160 4.288 1.00 0.00 C ATOM 897 OG1 THR A 62 0.804 10.200 4.365 1.00 0.00 O ATOM 898 CG2 THR A 62 3.104 9.631 4.866 1.00 0.00 C ATOM 0 H THR A 62 1.721 10.476 1.651 1.00 0.00 H new ATOM 0 HA THR A 62 2.738 7.970 2.825 1.00 0.00 H new ATOM 0 HB THR A 62 1.400 8.309 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.670 10.453 5.302 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.967 9.923 5.907 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.831 8.821 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.467 10.485 4.294 1.00 0.00 H new ATOM 906 N ILE A 63 0.400 6.956 2.491 1.00 0.00 N ATOM 907 CA ILE A 63 -0.770 6.324 1.897 1.00 0.00 C ATOM 908 C ILE A 63 -1.991 6.430 2.790 1.00 0.00 C ATOM 909 O ILE A 63 -1.980 5.966 3.929 1.00 0.00 O ATOM 910 CB ILE A 63 -0.468 4.841 1.647 1.00 0.00 C ATOM 911 CG1 ILE A 63 0.955 4.701 1.109 1.00 0.00 C ATOM 912 CG2 ILE A 63 -1.453 4.268 0.626 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.159 5.631 -0.097 1.00 0.00 C ATOM 0 H ILE A 63 0.937 6.358 3.120 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.988 6.842 0.963 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.567 4.293 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.673 4.945 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.141 3.668 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.229 3.215 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.470 4.366 1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.363 4.814 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.177 5.523 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.452 5.367 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.993 6.664 0.208 1.00 0.00 H new ATOM 925 N ASP A 64 -3.058 6.989 2.237 1.00 0.00 N ATOM 926 CA ASP A 64 -4.321 7.087 2.949 1.00 0.00 C ATOM 927 C ASP A 64 -5.080 5.814 2.613 1.00 0.00 C ATOM 928 O ASP A 64 -4.467 4.860 2.132 1.00 0.00 O ATOM 929 CB ASP A 64 -5.100 8.321 2.496 1.00 0.00 C ATOM 930 CG ASP A 64 -4.338 9.590 2.877 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.435 9.497 3.693 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.665 10.636 2.341 1.00 0.00 O ATOM 0 H ASP A 64 -3.073 7.382 1.296 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.172 7.191 4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.253 8.289 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.087 8.328 2.958 1.00 0.00 H new ATOM 937 N PHE A 65 -6.384 5.748 2.825 1.00 0.00 N ATOM 938 CA PHE A 65 -7.081 4.514 2.471 1.00 0.00 C ATOM 939 C PHE A 65 -7.295 4.391 0.941 1.00 0.00 C ATOM 940 O PHE A 65 -6.871 3.403 0.334 1.00 0.00 O ATOM 941 CB PHE A 65 -8.407 4.364 3.229 1.00 0.00 C ATOM 942 CG PHE A 65 -9.071 3.128 2.686 1.00 0.00 C ATOM 943 CD1 PHE A 65 -8.441 1.888 2.839 1.00 0.00 C ATOM 944 CD2 PHE A 65 -10.268 3.224 1.972 1.00 0.00 C ATOM 945 CE1 PHE A 65 -9.012 0.747 2.290 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.836 2.079 1.413 1.00 0.00 C ATOM 947 CZ PHE A 65 -10.208 0.839 1.573 1.00 0.00 C ATOM 0 H PHE A 65 -6.961 6.491 3.220 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.435 3.692 2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.233 4.272 4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.039 5.240 3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.511 1.818 3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.752 4.182 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.531 -0.212 2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.759 2.150 0.857 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.648 -0.048 1.142 1.00 0.00 H new ATOM 957 N PRO A 66 -7.935 5.329 0.283 1.00 0.00 N ATOM 958 CA PRO A 66 -8.157 5.221 -1.198 1.00 0.00 C ATOM 959 C PRO A 66 -6.835 5.252 -1.971 1.00 0.00 C ATOM 960 O PRO A 66 -6.733 4.694 -3.063 1.00 0.00 O ATOM 961 CB PRO A 66 -9.016 6.454 -1.512 1.00 0.00 C ATOM 962 CG PRO A 66 -8.666 7.426 -0.436 1.00 0.00 C ATOM 963 CD PRO A 66 -8.515 6.577 0.817 1.00 0.00 C ATOM 0 HA PRO A 66 -8.630 4.283 -1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.791 6.855 -2.500 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -10.079 6.213 -1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.743 7.958 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.445 8.178 -0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.861 7.048 1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.472 6.403 1.308 1.00 0.00 H new ATOM 971 N GLU A 67 -5.821 5.881 -1.384 1.00 0.00 N ATOM 972 CA GLU A 67 -4.510 5.941 -2.018 1.00 0.00 C ATOM 973 C GLU A 67 -3.963 4.531 -2.081 1.00 0.00 C ATOM 974 O GLU A 67 -3.280 4.133 -3.031 1.00 0.00 O ATOM 975 CB GLU A 67 -3.572 6.822 -1.193 1.00 0.00 C ATOM 976 CG GLU A 67 -4.064 8.269 -1.235 1.00 0.00 C ATOM 977 CD GLU A 67 -3.225 9.130 -0.300 1.00 0.00 C ATOM 978 OE1 GLU A 67 -2.443 8.571 0.451 1.00 0.00 O ATOM 979 OE2 GLU A 67 -3.388 10.334 -0.339 1.00 0.00 O ATOM 0 H GLU A 67 -5.881 6.351 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.591 6.366 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.536 6.469 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.557 6.760 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.001 8.654 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.113 8.314 -0.942 1.00 0.00 H new ATOM 986 N PHE A 68 -4.292 3.777 -1.041 1.00 0.00 N ATOM 987 CA PHE A 68 -3.872 2.400 -0.938 1.00 0.00 C ATOM 988 C PHE A 68 -4.625 1.542 -1.956 1.00 0.00 C ATOM 989 O PHE A 68 -4.077 0.581 -2.481 1.00 0.00 O ATOM 990 CB PHE A 68 -4.090 1.913 0.502 1.00 0.00 C ATOM 991 CG PHE A 68 -3.927 0.419 0.619 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.652 -0.162 0.582 1.00 0.00 C ATOM 993 CD2 PHE A 68 -5.055 -0.377 0.830 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.516 -1.546 0.762 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.917 -1.751 0.993 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.653 -2.337 0.965 1.00 0.00 C ATOM 0 H PHE A 68 -4.853 4.106 -0.255 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.810 2.313 -1.168 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.381 2.409 1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.089 2.197 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.780 0.453 0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.035 0.075 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.536 -2.001 0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.792 -2.366 1.142 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.550 -3.404 1.100 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.867 1.916 -2.277 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.644 1.174 -3.288 1.00 0.00 C ATOM 1008 C LEU A 69 -6.071 1.411 -4.688 1.00 0.00 C ATOM 1009 O LEU A 69 -6.063 0.511 -5.523 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.127 1.611 -3.258 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.940 0.733 -2.303 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -8.426 0.844 -0.868 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -10.410 1.154 -2.354 1.00 0.00 C ATOM 0 H LEU A 69 -6.353 2.712 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.578 0.112 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.196 2.653 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.548 1.549 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.835 -0.304 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.025 0.208 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.385 0.524 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.501 1.879 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.991 0.530 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.500 2.198 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.788 1.034 -3.369 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.571 2.621 -4.916 1.00 0.00 N ATOM 1026 CA ASN A 70 -4.970 2.978 -6.202 1.00 0.00 C ATOM 1027 C ASN A 70 -3.728 2.129 -6.415 1.00 0.00 C ATOM 1028 O ASN A 70 -3.469 1.597 -7.496 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.549 4.449 -6.165 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.755 5.373 -6.294 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -6.831 4.951 -6.721 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -5.631 6.623 -5.935 1.00 0.00 N ATOM 0 H ASN A 70 -5.569 3.374 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.688 2.811 -7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.027 4.657 -5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.847 4.649 -6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.428 7.256 -6.007 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.738 6.966 -5.582 1.00 0.00 H new ATOM 1039 N LEU A 71 -2.980 2.032 -5.336 1.00 0.00 N ATOM 1040 CA LEU A 71 -1.742 1.279 -5.268 1.00 0.00 C ATOM 1041 C LEU A 71 -1.999 -0.212 -5.491 1.00 0.00 C ATOM 1042 O LEU A 71 -1.316 -0.875 -6.284 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.211 1.569 -3.855 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.072 0.655 -3.413 1.00 0.00 C ATOM 1045 CD1 LEU A 71 1.109 0.794 -4.362 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.358 1.101 -2.008 1.00 0.00 C ATOM 0 H LEU A 71 -3.222 2.487 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.025 1.562 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.869 2.603 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.032 1.476 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.400 -0.384 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.916 0.137 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.800 0.518 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.458 1.827 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.173 0.468 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.693 2.138 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.487 1.015 -1.324 1.00 0.00 H new ATOM 1058 N MET A 72 -3.022 -0.712 -4.812 1.00 0.00 N ATOM 1059 CA MET A 72 -3.427 -2.102 -4.926 1.00 0.00 C ATOM 1060 C MET A 72 -4.242 -2.336 -6.200 1.00 0.00 C ATOM 1061 O MET A 72 -4.211 -3.422 -6.778 1.00 0.00 O ATOM 1062 CB MET A 72 -4.278 -2.473 -3.719 1.00 0.00 C ATOM 1063 CG MET A 72 -3.448 -2.438 -2.431 1.00 0.00 C ATOM 1064 SD MET A 72 -2.108 -3.655 -2.508 1.00 0.00 S ATOM 1065 CE MET A 72 -3.151 -5.134 -2.543 1.00 0.00 C ATOM 0 H MET A 72 -3.593 -0.164 -4.168 1.00 0.00 H new ATOM 0 HA MET A 72 -2.530 -2.720 -4.969 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.117 -1.782 -3.634 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.698 -3.469 -3.858 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.034 -1.440 -2.285 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.088 -2.646 -1.573 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.590 -5.984 -2.154 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.035 -4.970 -1.927 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.456 -5.340 -3.569 1.00 0.00 H new ATOM 1075 N ALA A 73 -4.965 -1.303 -6.636 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.779 -1.408 -7.843 1.00 0.00 C ATOM 1077 C ALA A 73 -4.886 -1.437 -9.075 1.00 0.00 C ATOM 1078 O ALA A 73 -5.118 -2.203 -10.014 1.00 0.00 O ATOM 1079 CB ALA A 73 -6.745 -0.225 -7.952 1.00 0.00 C ATOM 0 H ALA A 73 -5.002 -0.394 -6.175 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.354 -2.332 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.341 -0.325 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.404 -0.212 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.178 0.705 -7.991 1.00 0.00 H new