USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 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 32 SER OG : rot 26:sc= 1.6 USER MOD Set 1.2: A 34 THR OG1 : rot -4:sc= 0.0746 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= 1.13 (180deg=0.447!) USER MOD Single : A 4 THR OG1 : rot 78:sc= 1.17 USER MOD Single : A 5 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.36) USER MOD Single : A 17 ASN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -105:sc= 0.28 (180deg=-2.64!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.013 USER MOD Single : A 43 SER OG : rot 153:sc= 0.594 USER MOD Single : A 44 MET CE :methyl 144:sc= -5.59! (180deg=-10.5!) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.154) USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= 0.921 (180deg=-0.141) USER MOD Single : A 66 ASN : amide:sc= 0.492 K(o=0.49,f=-0.44) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 74 THR OG1 : rot 54:sc= -0.365 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc=-0.00202 (180deg=-0.146) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.221 -7.403 3.915 1.00 0.00 N ATOM 2 CA MET A 1 15.025 -6.011 4.389 1.00 0.00 C ATOM 3 C MET A 1 14.486 -5.143 3.255 1.00 0.00 C ATOM 4 O MET A 1 13.467 -4.477 3.410 1.00 0.00 O ATOM 5 CB MET A 1 16.331 -5.433 4.970 1.00 0.00 C ATOM 6 CG MET A 1 17.453 -5.204 3.962 1.00 0.00 C ATOM 7 SD MET A 1 17.925 -6.695 3.057 1.00 0.00 S ATOM 8 CE MET A 1 19.277 -6.067 2.057 1.00 0.00 C ATOM 0 H1 MET A 1 15.070 -8.063 4.704 1.00 0.00 H new ATOM 0 H2 MET A 1 14.541 -7.610 3.155 1.00 0.00 H new ATOM 0 H3 MET A 1 16.189 -7.513 3.552 1.00 0.00 H new ATOM 0 HA MET A 1 14.290 -6.017 5.194 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.103 -4.484 5.456 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.694 -6.109 5.744 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.141 -4.440 3.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.326 -4.814 4.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.677 -6.871 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.913 -5.264 1.416 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.063 -5.684 2.707 1.00 0.00 H new ATOM 20 N ALA A 2 15.163 -5.161 2.108 1.00 0.00 N ATOM 21 CA ALA A 2 14.617 -4.561 0.908 1.00 0.00 C ATOM 22 C ALA A 2 13.633 -5.545 0.309 1.00 0.00 C ATOM 23 O ALA A 2 14.023 -6.592 -0.209 1.00 0.00 O ATOM 24 CB ALA A 2 15.715 -4.206 -0.082 1.00 0.00 C ATOM 0 H ALA A 2 16.084 -5.583 1.992 1.00 0.00 H new ATOM 0 HA ALA A 2 14.111 -3.627 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.272 -3.758 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.404 -3.497 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.258 -5.109 -0.363 1.00 0.00 H new ATOM 30 N ALA A 3 12.364 -5.217 0.412 1.00 0.00 N ATOM 31 CA ALA A 3 11.313 -6.173 0.164 1.00 0.00 C ATOM 32 C ALA A 3 10.878 -6.143 -1.282 1.00 0.00 C ATOM 33 O ALA A 3 10.755 -5.077 -1.889 1.00 0.00 O ATOM 34 CB ALA A 3 10.129 -5.902 1.079 1.00 0.00 C ATOM 0 H ALA A 3 12.035 -4.286 0.668 1.00 0.00 H new ATOM 0 HA ALA A 3 11.704 -7.168 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.343 -6.630 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.446 -5.983 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.748 -4.898 0.893 1.00 0.00 H new ATOM 40 N THR A 4 10.660 -7.316 -1.832 1.00 0.00 N ATOM 41 CA THR A 4 10.130 -7.426 -3.163 1.00 0.00 C ATOM 42 C THR A 4 8.606 -7.426 -3.099 1.00 0.00 C ATOM 43 O THR A 4 8.036 -7.153 -2.040 1.00 0.00 O ATOM 44 CB THR A 4 10.642 -8.691 -3.868 1.00 0.00 C ATOM 45 OG1 THR A 4 11.868 -9.137 -3.265 1.00 0.00 O ATOM 46 CG2 THR A 4 10.900 -8.392 -5.330 1.00 0.00 C ATOM 0 H THR A 4 10.844 -8.208 -1.372 1.00 0.00 H new ATOM 0 HA THR A 4 10.470 -6.570 -3.746 1.00 0.00 H new ATOM 0 HB THR A 4 9.886 -9.470 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.670 -9.601 -2.425 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.263 -9.292 -5.827 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.974 -8.065 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.649 -7.604 -5.414 1.00 0.00 H new ATOM 54 N GLN A 5 7.949 -7.747 -4.208 1.00 0.00 N ATOM 55 CA GLN A 5 6.501 -7.599 -4.308 1.00 0.00 C ATOM 56 C GLN A 5 5.769 -8.355 -3.198 1.00 0.00 C ATOM 57 O GLN A 5 5.010 -7.758 -2.448 1.00 0.00 O ATOM 58 CB GLN A 5 6.008 -8.074 -5.673 1.00 0.00 C ATOM 59 CG GLN A 5 4.685 -7.448 -6.080 1.00 0.00 C ATOM 60 CD GLN A 5 4.173 -7.982 -7.403 1.00 0.00 C ATOM 61 OE1 GLN A 5 4.511 -7.461 -8.464 1.00 0.00 O ATOM 62 NE2 GLN A 5 3.361 -9.024 -7.352 1.00 0.00 N ATOM 0 H GLN A 5 8.395 -8.111 -5.050 1.00 0.00 H new ATOM 0 HA GLN A 5 6.278 -6.539 -4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.761 -7.840 -6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.900 -9.159 -5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.943 -7.637 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.805 -6.367 -6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.105 -9.427 -6.451 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.991 -9.425 -8.214 1.00 0.00 H new ATOM 71 N GLU A 6 6.022 -9.655 -3.078 1.00 0.00 N ATOM 72 CA GLU A 6 5.311 -10.489 -2.104 1.00 0.00 C ATOM 73 C GLU A 6 5.621 -10.063 -0.665 1.00 0.00 C ATOM 74 O GLU A 6 4.740 -10.044 0.191 1.00 0.00 O ATOM 75 CB GLU A 6 5.660 -11.968 -2.302 1.00 0.00 C ATOM 76 CG GLU A 6 7.150 -12.264 -2.231 1.00 0.00 C ATOM 77 CD GLU A 6 7.450 -13.748 -2.265 1.00 0.00 C ATOM 78 OE1 GLU A 6 7.519 -14.317 -3.371 1.00 0.00 O ATOM 79 OE2 GLU A 6 7.617 -14.351 -1.186 1.00 0.00 O ATOM 0 H GLU A 6 6.711 -10.156 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 6 4.243 -10.351 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.146 -12.557 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.280 -12.294 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.654 -11.776 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.559 -11.835 -1.316 1.00 0.00 H new ATOM 86 N GLU A 7 6.873 -9.711 -0.413 1.00 0.00 N ATOM 87 CA GLU A 7 7.311 -9.304 0.917 1.00 0.00 C ATOM 88 C GLU A 7 6.616 -8.019 1.348 1.00 0.00 C ATOM 89 O GLU A 7 5.985 -7.954 2.409 1.00 0.00 O ATOM 90 CB GLU A 7 8.819 -9.086 0.910 1.00 0.00 C ATOM 91 CG GLU A 7 9.621 -10.338 0.598 1.00 0.00 C ATOM 92 CD GLU A 7 11.089 -10.040 0.377 1.00 0.00 C ATOM 93 OE1 GLU A 7 11.436 -9.579 -0.725 1.00 0.00 O ATOM 94 OE2 GLU A 7 11.900 -10.261 1.303 1.00 0.00 O ATOM 0 H GLU A 7 7.610 -9.699 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 7 7.051 -10.093 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.062 -8.318 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.125 -8.703 1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.516 -11.048 1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.212 -10.817 -0.292 1.00 0.00 H new ATOM 101 N ILE A 8 6.728 -7.000 0.509 1.00 0.00 N ATOM 102 CA ILE A 8 6.161 -5.697 0.804 1.00 0.00 C ATOM 103 C ILE A 8 4.634 -5.780 0.771 1.00 0.00 C ATOM 104 O ILE A 8 3.951 -5.095 1.527 1.00 0.00 O ATOM 105 CB ILE A 8 6.693 -4.633 -0.201 1.00 0.00 C ATOM 106 CG1 ILE A 8 6.653 -3.207 0.385 1.00 0.00 C ATOM 107 CG2 ILE A 8 5.922 -4.692 -1.511 1.00 0.00 C ATOM 108 CD1 ILE A 8 5.274 -2.588 0.465 1.00 0.00 C ATOM 0 H ILE A 8 7.211 -7.054 -0.388 1.00 0.00 H new ATOM 0 HA ILE A 8 6.467 -5.388 1.804 1.00 0.00 H new ATOM 0 HB ILE A 8 7.738 -4.875 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.084 -3.229 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.290 -2.563 -0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.312 -3.940 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.035 -5.681 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.866 -4.498 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.349 -1.587 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.844 -2.527 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.635 -3.204 1.098 1.00 0.00 H new ATOM 120 N VAL A 9 4.108 -6.667 -0.069 1.00 0.00 N ATOM 121 CA VAL A 9 2.671 -6.797 -0.234 1.00 0.00 C ATOM 122 C VAL A 9 2.049 -7.395 1.019 1.00 0.00 C ATOM 123 O VAL A 9 0.922 -7.070 1.369 1.00 0.00 O ATOM 124 CB VAL A 9 2.316 -7.640 -1.484 1.00 0.00 C ATOM 125 CG1 VAL A 9 2.006 -9.094 -1.142 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.170 -7.002 -2.244 1.00 0.00 C ATOM 0 H VAL A 9 4.659 -7.304 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 9 2.258 -5.800 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 9 3.198 -7.654 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.764 -9.639 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.875 -9.549 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.157 -9.134 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.933 -7.606 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.294 -6.940 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.458 -6.000 -2.562 1.00 0.00 H new ATOM 136 N ALA A 10 2.803 -8.254 1.702 1.00 0.00 N ATOM 137 CA ALA A 10 2.356 -8.822 2.964 1.00 0.00 C ATOM 138 C ALA A 10 2.351 -7.749 4.043 1.00 0.00 C ATOM 139 O ALA A 10 1.440 -7.689 4.871 1.00 0.00 O ATOM 140 CB ALA A 10 3.239 -9.987 3.383 1.00 0.00 C ATOM 0 H ALA A 10 3.725 -8.569 1.400 1.00 0.00 H new ATOM 0 HA ALA A 10 1.342 -9.200 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.882 -10.392 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.203 -10.764 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.266 -9.641 3.501 1.00 0.00 H new ATOM 146 N GLY A 11 3.370 -6.899 4.022 1.00 0.00 N ATOM 147 CA GLY A 11 3.432 -5.790 4.953 1.00 0.00 C ATOM 148 C GLY A 11 2.351 -4.764 4.678 1.00 0.00 C ATOM 149 O GLY A 11 1.846 -4.116 5.598 1.00 0.00 O ATOM 0 H GLY A 11 4.156 -6.959 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.328 -6.164 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.410 -5.314 4.887 1.00 0.00 H new ATOM 153 N LEU A 12 2.007 -4.620 3.408 1.00 0.00 N ATOM 154 CA LEU A 12 0.927 -3.741 2.989 1.00 0.00 C ATOM 155 C LEU A 12 -0.420 -4.357 3.383 1.00 0.00 C ATOM 156 O LEU A 12 -1.259 -3.699 3.996 1.00 0.00 O ATOM 157 CB LEU A 12 0.992 -3.537 1.465 1.00 0.00 C ATOM 158 CG LEU A 12 0.821 -2.097 0.955 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.521 -1.524 1.372 1.00 0.00 C ATOM 160 CD2 LEU A 12 1.957 -1.211 1.442 1.00 0.00 C ATOM 0 H LEU A 12 2.468 -5.108 2.640 1.00 0.00 H new ATOM 0 HA LEU A 12 1.031 -2.774 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.953 -3.912 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.221 -4.155 1.005 1.00 0.00 H new ATOM 0 HG LEU A 12 0.852 -2.124 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.614 -0.505 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.322 -2.137 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.592 -1.519 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.814 -0.197 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.967 -1.198 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.906 -1.602 1.076 1.00 0.00 H new ATOM 172 N ALA A 13 -0.595 -5.634 3.039 1.00 0.00 N ATOM 173 CA ALA A 13 -1.823 -6.379 3.325 1.00 0.00 C ATOM 174 C ALA A 13 -2.202 -6.290 4.794 1.00 0.00 C ATOM 175 O ALA A 13 -3.324 -5.908 5.135 1.00 0.00 O ATOM 176 CB ALA A 13 -1.648 -7.836 2.927 1.00 0.00 C ATOM 0 H ALA A 13 0.114 -6.183 2.552 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.628 -5.932 2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.565 -8.385 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.430 -7.898 1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.824 -8.271 3.492 1.00 0.00 H new ATOM 182 N GLU A 14 -1.248 -6.643 5.648 1.00 0.00 N ATOM 183 CA GLU A 14 -1.429 -6.608 7.095 1.00 0.00 C ATOM 184 C GLU A 14 -1.984 -5.264 7.546 1.00 0.00 C ATOM 185 O GLU A 14 -2.895 -5.191 8.370 1.00 0.00 O ATOM 186 CB GLU A 14 -0.079 -6.844 7.774 1.00 0.00 C ATOM 187 CG GLU A 14 -0.128 -6.785 9.293 1.00 0.00 C ATOM 188 CD GLU A 14 1.196 -6.357 9.898 1.00 0.00 C ATOM 189 OE1 GLU A 14 2.253 -6.681 9.314 1.00 0.00 O ATOM 190 OE2 GLU A 14 1.189 -5.685 10.949 1.00 0.00 O ATOM 0 H GLU A 14 -0.324 -6.962 5.356 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.139 -7.387 7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.302 -7.819 7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.631 -6.099 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.908 -6.089 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.403 -7.765 9.683 1.00 0.00 H new ATOM 197 N ILE A 15 -1.449 -4.209 6.967 1.00 0.00 N ATOM 198 CA ILE A 15 -1.705 -2.869 7.442 1.00 0.00 C ATOM 199 C ILE A 15 -2.976 -2.265 6.838 1.00 0.00 C ATOM 200 O ILE A 15 -3.626 -1.432 7.462 1.00 0.00 O ATOM 201 CB ILE A 15 -0.466 -1.983 7.197 1.00 0.00 C ATOM 202 CG1 ILE A 15 0.085 -1.508 8.545 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.788 -0.813 6.281 1.00 0.00 C ATOM 204 CD1 ILE A 15 1.420 -0.805 8.458 1.00 0.00 C ATOM 0 H ILE A 15 -0.828 -4.257 6.159 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.888 -2.919 8.515 1.00 0.00 H new ATOM 0 HB ILE A 15 0.297 -2.572 6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.639 -0.833 9.003 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.183 -2.368 9.208 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.108 -0.211 6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.138 -1.189 5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.566 -0.199 6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.737 -0.502 9.456 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.161 -1.482 8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.326 0.076 7.824 1.00 0.00 H new ATOM 216 N VAL A 16 -3.354 -2.686 5.641 1.00 0.00 N ATOM 217 CA VAL A 16 -4.624 -2.244 5.083 1.00 0.00 C ATOM 218 C VAL A 16 -5.755 -3.001 5.766 1.00 0.00 C ATOM 219 O VAL A 16 -6.891 -2.525 5.842 1.00 0.00 O ATOM 220 CB VAL A 16 -4.718 -2.452 3.559 1.00 0.00 C ATOM 221 CG1 VAL A 16 -6.024 -1.895 3.021 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.543 -1.807 2.854 1.00 0.00 C ATOM 0 H VAL A 16 -2.815 -3.318 5.049 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.703 -1.172 5.263 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.691 -3.524 3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.070 -2.052 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.861 -2.405 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.080 -0.828 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.631 -1.967 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.536 -0.737 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.615 -2.252 3.212 1.00 0.00 H new ATOM 232 N ASN A 17 -5.426 -4.180 6.282 1.00 0.00 N ATOM 233 CA ASN A 17 -6.373 -4.966 7.055 1.00 0.00 C ATOM 234 C ASN A 17 -6.660 -4.246 8.374 1.00 0.00 C ATOM 235 O ASN A 17 -7.693 -4.464 9.008 1.00 0.00 O ATOM 236 CB ASN A 17 -5.810 -6.371 7.304 1.00 0.00 C ATOM 237 CG ASN A 17 -6.889 -7.394 7.610 1.00 0.00 C ATOM 238 OD1 ASN A 17 -7.250 -7.612 8.765 1.00 0.00 O ATOM 239 ND2 ASN A 17 -7.409 -8.037 6.572 1.00 0.00 N ATOM 0 H ASN A 17 -4.508 -4.611 6.177 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.306 -5.073 6.502 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.249 -6.693 6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.106 -6.333 8.135 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.134 -8.739 6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.084 -7.829 5.628 1.00 0.00 H new ATOM 246 N GLU A 18 -5.730 -3.367 8.761 1.00 0.00 N ATOM 247 CA GLU A 18 -5.917 -2.478 9.905 1.00 0.00 C ATOM 248 C GLU A 18 -6.959 -1.411 9.583 1.00 0.00 C ATOM 249 O GLU A 18 -7.657 -0.925 10.471 1.00 0.00 O ATOM 250 CB GLU A 18 -4.597 -1.777 10.266 1.00 0.00 C ATOM 251 CG GLU A 18 -3.463 -2.724 10.635 1.00 0.00 C ATOM 252 CD GLU A 18 -3.433 -3.054 12.114 1.00 0.00 C ATOM 253 OE1 GLU A 18 -4.429 -3.605 12.629 1.00 0.00 O ATOM 254 OE2 GLU A 18 -2.409 -2.760 12.769 1.00 0.00 O ATOM 0 H GLU A 18 -4.832 -3.254 8.291 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.253 -3.084 10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.282 -1.164 9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.776 -1.100 11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.565 -3.646 10.063 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.512 -2.275 10.348 1.00 0.00 H new ATOM 261 N ILE A 19 -7.061 -1.062 8.305 1.00 0.00 N ATOM 262 CA ILE A 19 -7.884 0.062 7.879 1.00 0.00 C ATOM 263 C ILE A 19 -9.290 -0.386 7.499 1.00 0.00 C ATOM 264 O ILE A 19 -10.276 0.096 8.058 1.00 0.00 O ATOM 265 CB ILE A 19 -7.251 0.780 6.663 1.00 0.00 C ATOM 266 CG1 ILE A 19 -5.789 1.132 6.948 1.00 0.00 C ATOM 267 CG2 ILE A 19 -8.038 2.031 6.312 1.00 0.00 C ATOM 268 CD1 ILE A 19 -5.081 1.834 5.804 1.00 0.00 C ATOM 0 H ILE A 19 -6.582 -1.544 7.544 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.942 0.747 8.725 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.283 0.102 5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.746 1.769 7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.247 0.217 7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.578 2.522 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.064 1.758 6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.038 2.712 7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.051 2.047 6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.088 1.192 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.595 2.768 5.576 1.00 0.00 H new ATOM 280 N ALA A 20 -9.386 -1.333 6.578 1.00 0.00 N ATOM 281 CA ALA A 20 -10.687 -1.755 6.083 1.00 0.00 C ATOM 282 C ALA A 20 -10.892 -3.250 6.279 1.00 0.00 C ATOM 283 O ALA A 20 -11.402 -3.678 7.317 1.00 0.00 O ATOM 284 CB ALA A 20 -10.859 -1.359 4.624 1.00 0.00 C ATOM 0 H ALA A 20 -8.590 -1.818 6.163 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.454 -1.243 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.838 -1.683 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.780 -0.276 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.082 -1.834 4.024 1.00 0.00 H new ATOM 290 N GLY A 21 -10.491 -4.052 5.300 1.00 0.00 N ATOM 291 CA GLY A 21 -10.603 -5.483 5.470 1.00 0.00 C ATOM 292 C GLY A 21 -10.474 -6.295 4.195 1.00 0.00 C ATOM 293 O GLY A 21 -11.252 -7.222 3.981 1.00 0.00 O ATOM 0 H GLY A 21 -10.099 -3.744 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.835 -5.811 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.567 -5.704 5.927 1.00 0.00 H new ATOM 297 N ILE A 22 -9.506 -5.966 3.344 1.00 0.00 N ATOM 298 CA ILE A 22 -9.144 -6.873 2.262 1.00 0.00 C ATOM 299 C ILE A 22 -8.280 -7.981 2.847 1.00 0.00 C ATOM 300 O ILE A 22 -7.278 -7.696 3.514 1.00 0.00 O ATOM 301 CB ILE A 22 -8.375 -6.181 1.096 1.00 0.00 C ATOM 302 CG1 ILE A 22 -9.306 -5.324 0.224 1.00 0.00 C ATOM 303 CG2 ILE A 22 -7.660 -7.216 0.235 1.00 0.00 C ATOM 304 CD1 ILE A 22 -10.448 -6.096 -0.399 1.00 0.00 C ATOM 0 H ILE A 22 -8.970 -5.099 3.380 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.068 -7.258 1.831 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.636 -5.518 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.715 -4.517 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.719 -4.860 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.129 -6.713 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.948 -7.769 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.391 -7.907 -0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.059 -5.421 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.049 -6.886 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.060 -6.538 0.387 1.00 0.00 H new ATOM 316 N PRO A 23 -8.674 -9.248 2.649 1.00 0.00 N ATOM 317 CA PRO A 23 -7.895 -10.391 3.123 1.00 0.00 C ATOM 318 C PRO A 23 -6.471 -10.346 2.586 1.00 0.00 C ATOM 319 O PRO A 23 -6.248 -9.948 1.443 1.00 0.00 O ATOM 320 CB PRO A 23 -8.645 -11.601 2.559 1.00 0.00 C ATOM 321 CG PRO A 23 -10.032 -11.114 2.319 1.00 0.00 C ATOM 322 CD PRO A 23 -9.903 -9.664 1.952 1.00 0.00 C ATOM 0 HA PRO A 23 -7.804 -10.413 4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.186 -11.956 1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.635 -12.435 3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.511 -11.678 1.519 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.649 -11.238 3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.820 -9.527 0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.767 -9.087 2.281 1.00 0.00 H new ATOM 330 N VAL A 24 -5.513 -10.751 3.406 1.00 0.00 N ATOM 331 CA VAL A 24 -4.108 -10.711 3.019 1.00 0.00 C ATOM 332 C VAL A 24 -3.842 -11.554 1.768 1.00 0.00 C ATOM 333 O VAL A 24 -2.848 -11.358 1.073 1.00 0.00 O ATOM 334 CB VAL A 24 -3.192 -11.186 4.166 1.00 0.00 C ATOM 335 CG1 VAL A 24 -3.336 -10.281 5.380 1.00 0.00 C ATOM 336 CG2 VAL A 24 -3.483 -12.632 4.546 1.00 0.00 C ATOM 0 H VAL A 24 -5.682 -11.112 4.345 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.877 -9.670 2.793 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.163 -11.132 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.681 -10.634 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.060 -9.262 5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.370 -10.298 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.821 -12.936 5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.519 -12.721 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.317 -13.276 3.682 1.00 0.00 H new ATOM 346 N GLU A 25 -4.740 -12.491 1.491 1.00 0.00 N ATOM 347 CA GLU A 25 -4.627 -13.337 0.311 1.00 0.00 C ATOM 348 C GLU A 25 -5.138 -12.618 -0.937 1.00 0.00 C ATOM 349 O GLU A 25 -4.823 -13.008 -2.060 1.00 0.00 O ATOM 350 CB GLU A 25 -5.411 -14.637 0.505 1.00 0.00 C ATOM 351 CG GLU A 25 -5.062 -15.391 1.779 1.00 0.00 C ATOM 352 CD GLU A 25 -5.670 -16.778 1.802 1.00 0.00 C ATOM 353 OE1 GLU A 25 -6.911 -16.894 1.704 1.00 0.00 O ATOM 354 OE2 GLU A 25 -4.904 -17.757 1.888 1.00 0.00 O ATOM 0 H GLU A 25 -5.557 -12.684 2.070 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.571 -13.568 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.477 -14.408 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.231 -15.288 -0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.979 -15.469 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.414 -14.826 2.642 1.00 0.00 H new ATOM 361 N ASP A 26 -5.926 -11.567 -0.739 1.00 0.00 N ATOM 362 CA ASP A 26 -6.583 -10.896 -1.856 1.00 0.00 C ATOM 363 C ASP A 26 -5.847 -9.622 -2.247 1.00 0.00 C ATOM 364 O ASP A 26 -6.180 -8.987 -3.247 1.00 0.00 O ATOM 365 CB ASP A 26 -8.033 -10.551 -1.510 1.00 0.00 C ATOM 366 CG ASP A 26 -8.949 -10.660 -2.713 1.00 0.00 C ATOM 367 OD1 ASP A 26 -8.910 -9.769 -3.584 1.00 0.00 O ATOM 368 OD2 ASP A 26 -9.719 -11.640 -2.792 1.00 0.00 O ATOM 0 H ASP A 26 -6.125 -11.163 0.176 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.567 -11.587 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.386 -11.219 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.079 -9.538 -1.111 1.00 0.00 H new ATOM 373 N VAL A 27 -4.862 -9.234 -1.449 1.00 0.00 N ATOM 374 CA VAL A 27 -4.088 -8.037 -1.743 1.00 0.00 C ATOM 375 C VAL A 27 -3.242 -8.252 -2.990 1.00 0.00 C ATOM 376 O VAL A 27 -2.372 -9.122 -3.031 1.00 0.00 O ATOM 377 CB VAL A 27 -3.197 -7.621 -0.556 1.00 0.00 C ATOM 378 CG1 VAL A 27 -2.378 -6.382 -0.894 1.00 0.00 C ATOM 379 CG2 VAL A 27 -4.059 -7.366 0.668 1.00 0.00 C ATOM 0 H VAL A 27 -4.582 -9.726 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.793 -7.225 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.502 -8.434 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.759 -6.111 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.740 -6.591 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.049 -5.557 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.425 -7.072 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.769 -6.568 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.602 -8.275 0.926 1.00 0.00 H new ATOM 389 N LYS A 28 -3.512 -7.444 -4.002 1.00 0.00 N ATOM 390 CA LYS A 28 -2.943 -7.634 -5.320 1.00 0.00 C ATOM 391 C LYS A 28 -2.644 -6.286 -5.931 1.00 0.00 C ATOM 392 O LYS A 28 -3.223 -5.280 -5.530 1.00 0.00 O ATOM 393 CB LYS A 28 -3.934 -8.372 -6.225 1.00 0.00 C ATOM 394 CG LYS A 28 -4.249 -9.793 -5.790 1.00 0.00 C ATOM 395 CD LYS A 28 -5.591 -10.255 -6.342 1.00 0.00 C ATOM 396 CE LYS A 28 -5.612 -10.288 -7.862 1.00 0.00 C ATOM 397 NZ LYS A 28 -6.953 -10.664 -8.387 1.00 0.00 N ATOM 0 H LYS A 28 -4.133 -6.638 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.030 -8.222 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.863 -7.803 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.532 -8.397 -7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.462 -10.464 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.262 -9.848 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.816 -11.249 -5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.376 -9.589 -5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.330 -9.309 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.868 -11.000 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.928 -10.676 -9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.211 -11.608 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.659 -9.971 -8.066 1.00 0.00 H new ATOM 411 N LEU A 29 -1.779 -6.272 -6.923 1.00 0.00 N ATOM 412 CA LEU A 29 -1.454 -5.045 -7.629 1.00 0.00 C ATOM 413 C LEU A 29 -2.594 -4.632 -8.553 1.00 0.00 C ATOM 414 O LEU A 29 -2.557 -3.569 -9.172 1.00 0.00 O ATOM 415 CB LEU A 29 -0.160 -5.223 -8.433 1.00 0.00 C ATOM 416 CG LEU A 29 1.132 -4.869 -7.692 1.00 0.00 C ATOM 417 CD1 LEU A 29 1.250 -5.641 -6.386 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.338 -5.124 -8.581 1.00 0.00 C ATOM 0 H LEU A 29 -1.285 -7.098 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.308 -4.256 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.097 -6.260 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.223 -4.608 -9.331 1.00 0.00 H new ATOM 0 HG LEU A 29 1.100 -3.808 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.178 -5.367 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.404 -5.399 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.252 -6.711 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.249 -4.868 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.367 -6.177 -8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.264 -4.511 -9.479 1.00 0.00 H new ATOM 430 N ASP A 30 -3.617 -5.467 -8.618 1.00 0.00 N ATOM 431 CA ASP A 30 -4.693 -5.280 -9.576 1.00 0.00 C ATOM 432 C ASP A 30 -5.909 -4.627 -8.942 1.00 0.00 C ATOM 433 O ASP A 30 -6.794 -4.148 -9.652 1.00 0.00 O ATOM 434 CB ASP A 30 -5.117 -6.626 -10.172 1.00 0.00 C ATOM 435 CG ASP A 30 -3.951 -7.559 -10.434 1.00 0.00 C ATOM 436 OD1 ASP A 30 -3.570 -8.310 -9.511 1.00 0.00 O ATOM 437 OD2 ASP A 30 -3.418 -7.558 -11.560 1.00 0.00 O ATOM 0 H ASP A 30 -3.725 -6.284 -8.017 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.310 -4.624 -10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.817 -7.112 -9.492 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.650 -6.450 -11.106 1.00 0.00 H new ATOM 442 N LYS A 31 -5.980 -4.607 -7.614 1.00 0.00 N ATOM 443 CA LYS A 31 -7.181 -4.127 -6.962 1.00 0.00 C ATOM 444 C LYS A 31 -7.012 -2.671 -6.540 1.00 0.00 C ATOM 445 O LYS A 31 -5.927 -2.242 -6.139 1.00 0.00 O ATOM 446 CB LYS A 31 -7.567 -5.041 -5.791 1.00 0.00 C ATOM 447 CG LYS A 31 -6.877 -4.755 -4.470 1.00 0.00 C ATOM 448 CD LYS A 31 -6.872 -5.971 -3.559 1.00 0.00 C ATOM 449 CE LYS A 31 -8.283 -6.448 -3.216 1.00 0.00 C ATOM 450 NZ LYS A 31 -8.890 -7.282 -4.292 1.00 0.00 N ATOM 0 H LYS A 31 -5.236 -4.911 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.009 -4.160 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.644 -4.969 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.353 -6.072 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.851 -4.437 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.380 -3.928 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.325 -6.781 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.339 -5.730 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.252 -7.024 -2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.919 -5.582 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.603 -6.723 -4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.149 -7.588 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.343 -8.118 -3.870 1.00 0.00 H new ATOM 464 N SER A 32 -8.086 -1.917 -6.658 1.00 0.00 N ATOM 465 CA SER A 32 -8.056 -0.485 -6.438 1.00 0.00 C ATOM 466 C SER A 32 -8.203 -0.160 -4.958 1.00 0.00 C ATOM 467 O SER A 32 -9.050 -0.727 -4.277 1.00 0.00 O ATOM 468 CB SER A 32 -9.178 0.170 -7.251 1.00 0.00 C ATOM 469 OG SER A 32 -9.369 1.524 -6.886 1.00 0.00 O ATOM 0 H SER A 32 -9.005 -2.280 -6.909 1.00 0.00 H new ATOM 0 HA SER A 32 -7.094 -0.092 -6.766 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.940 0.110 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.106 -0.382 -7.100 1.00 0.00 H new ATOM 0 HG SER A 32 -8.536 1.884 -6.516 1.00 0.00 H new ATOM 475 N PHE A 33 -7.362 0.746 -4.468 1.00 0.00 N ATOM 476 CA PHE A 33 -7.432 1.196 -3.082 1.00 0.00 C ATOM 477 C PHE A 33 -8.799 1.800 -2.804 1.00 0.00 C ATOM 478 O PHE A 33 -9.479 1.440 -1.841 1.00 0.00 O ATOM 479 CB PHE A 33 -6.347 2.243 -2.801 1.00 0.00 C ATOM 480 CG PHE A 33 -5.224 1.753 -1.934 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.486 1.093 -0.746 1.00 0.00 C ATOM 482 CD2 PHE A 33 -3.908 1.971 -2.296 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.456 0.658 0.064 1.00 0.00 C ATOM 484 CE2 PHE A 33 -2.873 1.538 -1.493 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.145 0.880 -0.311 1.00 0.00 C ATOM 0 H PHE A 33 -6.620 1.185 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.272 0.336 -2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.935 2.585 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.808 3.108 -2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.509 0.916 -0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.687 2.487 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.675 0.145 0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.850 1.714 -1.790 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.336 0.540 0.319 1.00 0.00 H new ATOM 495 N THR A 34 -9.202 2.699 -3.678 1.00 0.00 N ATOM 496 CA THR A 34 -10.441 3.422 -3.520 1.00 0.00 C ATOM 497 C THR A 34 -11.647 2.515 -3.776 1.00 0.00 C ATOM 498 O THR A 34 -12.707 2.689 -3.174 1.00 0.00 O ATOM 499 CB THR A 34 -10.467 4.629 -4.480 1.00 0.00 C ATOM 500 OG1 THR A 34 -10.250 4.182 -5.826 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.381 5.636 -4.118 1.00 0.00 C ATOM 0 H THR A 34 -8.678 2.947 -4.517 1.00 0.00 H new ATOM 0 HA THR A 34 -10.502 3.778 -2.492 1.00 0.00 H new ATOM 0 HB THR A 34 -11.442 5.109 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.070 3.219 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.420 6.478 -4.810 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.541 5.994 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.404 5.157 -4.184 1.00 0.00 H new ATOM 509 N ASP A 35 -11.476 1.545 -4.667 1.00 0.00 N ATOM 510 CA ASP A 35 -12.580 0.672 -5.058 1.00 0.00 C ATOM 511 C ASP A 35 -12.630 -0.598 -4.210 1.00 0.00 C ATOM 512 O ASP A 35 -13.531 -0.771 -3.392 1.00 0.00 O ATOM 513 CB ASP A 35 -12.467 0.311 -6.540 1.00 0.00 C ATOM 514 CG ASP A 35 -13.710 -0.366 -7.076 1.00 0.00 C ATOM 515 OD1 ASP A 35 -14.639 0.351 -7.505 1.00 0.00 O ATOM 516 OD2 ASP A 35 -13.758 -1.610 -7.099 1.00 0.00 O ATOM 0 H ASP A 35 -10.590 1.343 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.508 1.219 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.275 1.216 -7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.610 -0.347 -6.685 1.00 0.00 H new ATOM 521 N ASP A 36 -11.635 -1.464 -4.395 1.00 0.00 N ATOM 522 CA ASP A 36 -11.623 -2.794 -3.779 1.00 0.00 C ATOM 523 C ASP A 36 -11.245 -2.736 -2.306 1.00 0.00 C ATOM 524 O ASP A 36 -11.874 -3.388 -1.473 1.00 0.00 O ATOM 525 CB ASP A 36 -10.637 -3.724 -4.496 1.00 0.00 C ATOM 526 CG ASP A 36 -10.951 -3.930 -5.963 1.00 0.00 C ATOM 527 OD1 ASP A 36 -11.722 -4.855 -6.291 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.392 -3.187 -6.797 1.00 0.00 O ATOM 0 H ASP A 36 -10.818 -1.267 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.637 -3.183 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.631 -3.314 -4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.634 -4.692 -3.995 1.00 0.00 H new ATOM 533 N LEU A 37 -10.204 -1.967 -1.988 1.00 0.00 N ATOM 534 CA LEU A 37 -9.702 -1.894 -0.615 1.00 0.00 C ATOM 535 C LEU A 37 -10.728 -1.232 0.297 1.00 0.00 C ATOM 536 O LEU A 37 -10.629 -1.344 1.518 1.00 0.00 O ATOM 537 CB LEU A 37 -8.367 -1.126 -0.530 1.00 0.00 C ATOM 538 CG LEU A 37 -7.098 -1.865 -0.990 1.00 0.00 C ATOM 539 CD1 LEU A 37 -6.852 -3.107 -0.156 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.182 -2.239 -2.452 1.00 0.00 C ATOM 0 H LEU A 37 -9.695 -1.389 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.527 -2.918 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.462 -0.217 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.221 -0.817 0.505 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.261 -1.181 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.949 -3.607 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.729 -2.825 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.701 -3.784 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.271 -2.760 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.041 -2.891 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.295 -1.336 -3.053 1.00 0.00 H new ATOM 552 N ASP A 38 -11.704 -0.548 -0.312 1.00 0.00 N ATOM 553 CA ASP A 38 -12.742 0.179 0.424 1.00 0.00 C ATOM 554 C ASP A 38 -12.073 1.193 1.346 1.00 0.00 C ATOM 555 O ASP A 38 -12.452 1.368 2.502 1.00 0.00 O ATOM 556 CB ASP A 38 -13.627 -0.796 1.220 1.00 0.00 C ATOM 557 CG ASP A 38 -14.899 -0.152 1.752 1.00 0.00 C ATOM 558 OD1 ASP A 38 -15.797 0.170 0.937 1.00 0.00 O ATOM 559 OD2 ASP A 38 -15.023 0.015 2.982 1.00 0.00 O ATOM 0 H ASP A 38 -11.795 -0.484 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.389 0.705 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.893 -1.639 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.054 -1.198 2.056 1.00 0.00 H new ATOM 564 N VAL A 39 -11.061 1.863 0.816 1.00 0.00 N ATOM 565 CA VAL A 39 -10.253 2.755 1.615 1.00 0.00 C ATOM 566 C VAL A 39 -10.497 4.210 1.212 1.00 0.00 C ATOM 567 O VAL A 39 -10.751 4.507 0.042 1.00 0.00 O ATOM 568 CB VAL A 39 -8.747 2.401 1.479 1.00 0.00 C ATOM 569 CG1 VAL A 39 -8.075 3.197 0.374 1.00 0.00 C ATOM 570 CG2 VAL A 39 -8.037 2.598 2.803 1.00 0.00 C ATOM 0 H VAL A 39 -10.784 1.802 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.543 2.633 2.659 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.677 1.350 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.023 2.919 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.563 2.983 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.156 4.262 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.982 2.346 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.130 3.638 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.487 1.952 3.557 1.00 0.00 H new ATOM 580 N ASP A 40 -10.454 5.108 2.185 1.00 0.00 N ATOM 581 CA ASP A 40 -10.546 6.535 1.904 1.00 0.00 C ATOM 582 C ASP A 40 -9.167 7.079 1.599 1.00 0.00 C ATOM 583 O ASP A 40 -8.160 6.419 1.875 1.00 0.00 O ATOM 584 CB ASP A 40 -11.117 7.302 3.097 1.00 0.00 C ATOM 585 CG ASP A 40 -12.404 6.718 3.622 1.00 0.00 C ATOM 586 OD1 ASP A 40 -13.483 7.100 3.126 1.00 0.00 O ATOM 587 OD2 ASP A 40 -12.332 5.885 4.552 1.00 0.00 O ATOM 0 H ASP A 40 -10.356 4.876 3.173 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.211 6.666 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.379 7.315 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.289 8.338 2.805 1.00 0.00 H new ATOM 592 N SER A 41 -9.123 8.288 1.060 1.00 0.00 N ATOM 593 CA SER A 41 -7.867 8.941 0.744 1.00 0.00 C ATOM 594 C SER A 41 -6.967 9.002 1.979 1.00 0.00 C ATOM 595 O SER A 41 -5.825 8.552 1.947 1.00 0.00 O ATOM 596 CB SER A 41 -8.147 10.345 0.206 1.00 0.00 C ATOM 597 OG SER A 41 -9.157 10.301 -0.787 1.00 0.00 O ATOM 0 H SER A 41 -9.951 8.838 0.832 1.00 0.00 H new ATOM 0 HA SER A 41 -7.345 8.365 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.458 10.998 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.235 10.770 -0.213 1.00 0.00 H new ATOM 0 HG SER A 41 -9.327 11.206 -1.121 1.00 0.00 H new ATOM 603 N LEU A 42 -7.505 9.518 3.077 1.00 0.00 N ATOM 604 CA LEU A 42 -6.732 9.659 4.305 1.00 0.00 C ATOM 605 C LEU A 42 -6.494 8.305 4.966 1.00 0.00 C ATOM 606 O LEU A 42 -5.396 8.030 5.433 1.00 0.00 O ATOM 607 CB LEU A 42 -7.434 10.616 5.276 1.00 0.00 C ATOM 608 CG LEU A 42 -6.838 10.675 6.687 1.00 0.00 C ATOM 609 CD1 LEU A 42 -5.354 11.005 6.633 1.00 0.00 C ATOM 610 CD2 LEU A 42 -7.584 11.699 7.527 1.00 0.00 C ATOM 0 H LEU A 42 -8.469 9.845 3.143 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.761 10.079 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.414 11.619 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.481 10.324 5.354 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.948 9.695 7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.952 11.042 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.831 10.237 6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.214 11.973 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.153 11.733 8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.500 12.681 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.635 11.418 7.594 1.00 0.00 H new ATOM 622 N SER A 43 -7.526 7.468 4.987 1.00 0.00 N ATOM 623 CA SER A 43 -7.441 6.141 5.584 1.00 0.00 C ATOM 624 C SER A 43 -6.191 5.396 5.105 1.00 0.00 C ATOM 625 O SER A 43 -5.357 4.970 5.919 1.00 0.00 O ATOM 626 CB SER A 43 -8.706 5.345 5.249 1.00 0.00 C ATOM 627 OG SER A 43 -9.866 5.992 5.756 1.00 0.00 O ATOM 0 H SER A 43 -8.440 7.689 4.593 1.00 0.00 H new ATOM 0 HA SER A 43 -7.363 6.251 6.666 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.792 5.231 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.631 4.343 5.670 1.00 0.00 H new ATOM 0 HG SER A 43 -10.641 5.751 5.207 1.00 0.00 H new ATOM 633 N MET A 44 -6.041 5.272 3.787 1.00 0.00 N ATOM 634 CA MET A 44 -4.880 4.594 3.231 1.00 0.00 C ATOM 635 C MET A 44 -3.609 5.354 3.563 1.00 0.00 C ATOM 636 O MET A 44 -2.662 4.777 4.072 1.00 0.00 O ATOM 637 CB MET A 44 -5.005 4.377 1.719 1.00 0.00 C ATOM 638 CG MET A 44 -5.234 5.633 0.895 1.00 0.00 C ATOM 639 SD MET A 44 -5.533 5.251 -0.841 1.00 0.00 S ATOM 640 CE MET A 44 -6.055 6.844 -1.464 1.00 0.00 C ATOM 0 H MET A 44 -6.701 5.628 3.096 1.00 0.00 H new ATOM 0 HA MET A 44 -4.830 3.608 3.692 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.097 3.890 1.363 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.829 3.688 1.535 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.085 6.182 1.298 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.365 6.286 0.979 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.680 6.979 -2.478 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.144 6.893 -1.470 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.660 7.632 -0.823 1.00 0.00 H new ATOM 650 N VAL A 45 -3.607 6.654 3.332 1.00 0.00 N ATOM 651 CA VAL A 45 -2.437 7.470 3.619 1.00 0.00 C ATOM 652 C VAL A 45 -1.990 7.305 5.074 1.00 0.00 C ATOM 653 O VAL A 45 -0.812 7.389 5.380 1.00 0.00 O ATOM 654 CB VAL A 45 -2.719 8.958 3.307 1.00 0.00 C ATOM 655 CG1 VAL A 45 -1.613 9.858 3.837 1.00 0.00 C ATOM 656 CG2 VAL A 45 -2.879 9.145 1.807 1.00 0.00 C ATOM 0 H VAL A 45 -4.399 7.168 2.947 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.627 7.127 2.976 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.644 9.243 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.844 10.897 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.535 9.741 4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.666 9.582 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.078 10.195 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.963 8.837 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.711 8.537 1.451 1.00 0.00 H new ATOM 666 N GLU A 46 -2.920 7.010 5.961 1.00 0.00 N ATOM 667 CA GLU A 46 -2.593 6.915 7.367 1.00 0.00 C ATOM 668 C GLU A 46 -1.832 5.631 7.680 1.00 0.00 C ATOM 669 O GLU A 46 -0.641 5.668 8.020 1.00 0.00 O ATOM 670 CB GLU A 46 -3.870 6.991 8.200 1.00 0.00 C ATOM 671 CG GLU A 46 -3.632 6.911 9.696 1.00 0.00 C ATOM 672 CD GLU A 46 -4.886 7.174 10.498 1.00 0.00 C ATOM 673 OE1 GLU A 46 -5.269 8.355 10.636 1.00 0.00 O ATOM 674 OE2 GLU A 46 -5.489 6.206 11.002 1.00 0.00 O ATOM 0 H GLU A 46 -3.899 6.834 5.735 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.943 7.752 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.385 7.924 7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.535 6.180 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.245 5.923 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.866 7.634 9.978 1.00 0.00 H new ATOM 681 N VAL A 47 -2.478 4.486 7.516 1.00 0.00 N ATOM 682 CA VAL A 47 -1.850 3.252 7.937 1.00 0.00 C ATOM 683 C VAL A 47 -0.942 2.709 6.839 1.00 0.00 C ATOM 684 O VAL A 47 0.002 1.972 7.114 1.00 0.00 O ATOM 685 CB VAL A 47 -2.889 2.199 8.372 1.00 0.00 C ATOM 686 CG1 VAL A 47 -2.217 1.014 9.048 1.00 0.00 C ATOM 687 CG2 VAL A 47 -3.911 2.826 9.305 1.00 0.00 C ATOM 0 H VAL A 47 -3.407 4.389 7.107 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.237 3.475 8.810 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.398 1.835 7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.973 0.287 9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.518 0.548 8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.678 1.357 9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.640 2.073 9.606 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.406 3.215 10.189 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.422 3.640 8.791 1.00 0.00 H new ATOM 697 N VAL A 48 -1.189 3.104 5.594 1.00 0.00 N ATOM 698 CA VAL A 48 -0.350 2.643 4.495 1.00 0.00 C ATOM 699 C VAL A 48 0.963 3.435 4.452 1.00 0.00 C ATOM 700 O VAL A 48 1.977 2.933 3.978 1.00 0.00 O ATOM 701 CB VAL A 48 -1.077 2.703 3.130 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.202 2.172 2.003 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.382 1.924 3.202 1.00 0.00 C ATOM 0 H VAL A 48 -1.948 3.730 5.324 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.122 1.594 4.683 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.294 3.748 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.747 2.230 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.706 2.771 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.062 1.134 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.888 1.971 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.172 0.884 3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.023 2.358 3.969 1.00 0.00 H new ATOM 713 N VAL A 49 0.958 4.663 4.975 1.00 0.00 N ATOM 714 CA VAL A 49 2.214 5.379 5.190 1.00 0.00 C ATOM 715 C VAL A 49 2.981 4.708 6.324 1.00 0.00 C ATOM 716 O VAL A 49 4.203 4.591 6.291 1.00 0.00 O ATOM 717 CB VAL A 49 2.002 6.884 5.486 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.169 7.479 6.261 1.00 0.00 C ATOM 719 CG2 VAL A 49 1.816 7.644 4.184 1.00 0.00 C ATOM 0 H VAL A 49 0.118 5.172 5.252 1.00 0.00 H new ATOM 0 HA VAL A 49 2.792 5.330 4.267 1.00 0.00 H new ATOM 0 HB VAL A 49 1.108 6.976 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.980 8.536 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.279 6.956 7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.085 7.371 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.667 8.702 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.702 7.521 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.945 7.255 3.657 1.00 0.00 H new ATOM 729 N ALA A 50 2.253 4.228 7.321 1.00 0.00 N ATOM 730 CA ALA A 50 2.865 3.399 8.349 1.00 0.00 C ATOM 731 C ALA A 50 3.428 2.112 7.728 1.00 0.00 C ATOM 732 O ALA A 50 4.341 1.491 8.273 1.00 0.00 O ATOM 733 CB ALA A 50 1.857 3.080 9.441 1.00 0.00 C ATOM 0 H ALA A 50 1.254 4.394 7.440 1.00 0.00 H new ATOM 0 HA ALA A 50 3.690 3.950 8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.330 2.459 10.202 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.506 4.007 9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.011 2.544 9.010 1.00 0.00 H new ATOM 739 N ALA A 51 2.882 1.729 6.573 1.00 0.00 N ATOM 740 CA ALA A 51 3.324 0.533 5.860 1.00 0.00 C ATOM 741 C ALA A 51 4.550 0.805 5.000 1.00 0.00 C ATOM 742 O ALA A 51 5.415 -0.055 4.863 1.00 0.00 O ATOM 743 CB ALA A 51 2.211 -0.024 4.988 1.00 0.00 C ATOM 0 H ALA A 51 2.127 2.235 6.110 1.00 0.00 H new ATOM 0 HA ALA A 51 3.592 -0.202 6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.567 -0.914 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.356 -0.285 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.911 0.727 4.257 1.00 0.00 H new ATOM 749 N GLU A 52 4.627 1.990 4.410 1.00 0.00 N ATOM 750 CA GLU A 52 5.759 2.326 3.561 1.00 0.00 C ATOM 751 C GLU A 52 7.009 2.490 4.416 1.00 0.00 C ATOM 752 O GLU A 52 8.043 1.876 4.149 1.00 0.00 O ATOM 753 CB GLU A 52 5.481 3.586 2.723 1.00 0.00 C ATOM 754 CG GLU A 52 5.170 4.820 3.541 1.00 0.00 C ATOM 755 CD GLU A 52 4.923 6.035 2.685 1.00 0.00 C ATOM 756 OE1 GLU A 52 3.815 6.152 2.128 1.00 0.00 O ATOM 757 OE2 GLU A 52 5.843 6.868 2.561 1.00 0.00 O ATOM 0 H GLU A 52 3.927 2.726 4.502 1.00 0.00 H new ATOM 0 HA GLU A 52 5.921 1.510 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.348 3.789 2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.643 3.386 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.292 4.630 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.999 5.020 4.219 1.00 0.00 H new ATOM 764 N GLU A 53 6.889 3.258 5.490 1.00 0.00 N ATOM 765 CA GLU A 53 8.028 3.565 6.333 1.00 0.00 C ATOM 766 C GLU A 53 8.554 2.328 7.047 1.00 0.00 C ATOM 767 O GLU A 53 9.721 2.284 7.432 1.00 0.00 O ATOM 768 CB GLU A 53 7.666 4.622 7.364 1.00 0.00 C ATOM 769 CG GLU A 53 7.143 5.919 6.773 1.00 0.00 C ATOM 770 CD GLU A 53 7.119 7.038 7.792 1.00 0.00 C ATOM 771 OE1 GLU A 53 6.194 7.079 8.626 1.00 0.00 O ATOM 772 OE2 GLU A 53 8.045 7.873 7.785 1.00 0.00 O ATOM 0 H GLU A 53 6.012 3.679 5.796 1.00 0.00 H new ATOM 0 HA GLU A 53 8.812 3.946 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.912 4.213 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.547 4.841 7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.768 6.211 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.137 5.761 6.385 1.00 0.00 H new ATOM 779 N ARG A 54 7.707 1.317 7.221 1.00 0.00 N ATOM 780 CA ARG A 54 8.128 0.102 7.919 1.00 0.00 C ATOM 781 C ARG A 54 9.090 -0.711 7.047 1.00 0.00 C ATOM 782 O ARG A 54 9.717 -1.658 7.517 1.00 0.00 O ATOM 783 CB ARG A 54 6.916 -0.742 8.347 1.00 0.00 C ATOM 784 CG ARG A 54 6.296 -1.571 7.234 1.00 0.00 C ATOM 785 CD ARG A 54 4.945 -2.159 7.635 1.00 0.00 C ATOM 786 NE ARG A 54 5.008 -2.942 8.871 1.00 0.00 N ATOM 787 CZ ARG A 54 4.254 -4.018 9.117 1.00 0.00 C ATOM 788 NH1 ARG A 54 3.393 -4.458 8.209 1.00 0.00 N ATOM 789 NH2 ARG A 54 4.358 -4.660 10.275 1.00 0.00 N ATOM 0 H ARG A 54 6.740 1.311 6.895 1.00 0.00 H new ATOM 0 HA ARG A 54 8.657 0.396 8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.221 -1.410 9.152 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.154 -0.078 8.755 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.171 -0.950 6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.976 -2.379 6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.225 -1.350 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.576 -2.792 6.828 1.00 0.00 H new ATOM 0 HE ARG A 54 5.669 -2.648 9.590 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.303 -3.975 7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.821 -5.280 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.016 -4.333 10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.780 -5.480 10.457 1.00 0.00 H new ATOM 803 N PHE A 55 9.200 -0.323 5.779 1.00 0.00 N ATOM 804 CA PHE A 55 10.173 -0.915 4.866 1.00 0.00 C ATOM 805 C PHE A 55 11.254 0.108 4.523 1.00 0.00 C ATOM 806 O PHE A 55 11.969 -0.030 3.529 1.00 0.00 O ATOM 807 CB PHE A 55 9.482 -1.418 3.596 1.00 0.00 C ATOM 808 CG PHE A 55 8.582 -2.602 3.834 1.00 0.00 C ATOM 809 CD1 PHE A 55 9.115 -3.876 3.961 1.00 0.00 C ATOM 810 CD2 PHE A 55 7.209 -2.443 3.933 1.00 0.00 C ATOM 811 CE1 PHE A 55 8.294 -4.967 4.181 1.00 0.00 C ATOM 812 CE2 PHE A 55 6.385 -3.532 4.154 1.00 0.00 C ATOM 813 CZ PHE A 55 6.929 -4.796 4.279 1.00 0.00 C ATOM 0 H PHE A 55 8.622 0.405 5.358 1.00 0.00 H new ATOM 0 HA PHE A 55 10.642 -1.768 5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.896 -0.607 3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.240 -1.689 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.183 -4.018 3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.777 -1.458 3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.722 -5.954 4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.316 -3.394 4.229 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.287 -5.647 4.453 1.00 0.00 H new ATOM 823 N ASP A 56 11.344 1.143 5.364 1.00 0.00 N ATOM 824 CA ASP A 56 12.397 2.163 5.285 1.00 0.00 C ATOM 825 C ASP A 56 12.270 3.055 4.052 1.00 0.00 C ATOM 826 O ASP A 56 13.257 3.641 3.598 1.00 0.00 O ATOM 827 CB ASP A 56 13.798 1.535 5.326 1.00 0.00 C ATOM 828 CG ASP A 56 14.167 1.008 6.700 1.00 0.00 C ATOM 829 OD1 ASP A 56 13.642 1.532 7.706 1.00 0.00 O ATOM 830 OD2 ASP A 56 15.009 0.087 6.784 1.00 0.00 O ATOM 0 H ASP A 56 10.683 1.299 6.125 1.00 0.00 H new ATOM 0 HA ASP A 56 12.262 2.792 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.847 0.720 4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.533 2.278 5.018 1.00 0.00 H new ATOM 835 N VAL A 57 11.063 3.196 3.522 1.00 0.00 N ATOM 836 CA VAL A 57 10.837 4.114 2.416 1.00 0.00 C ATOM 837 C VAL A 57 9.907 5.238 2.862 1.00 0.00 C ATOM 838 O VAL A 57 9.108 5.054 3.778 1.00 0.00 O ATOM 839 CB VAL A 57 10.234 3.389 1.191 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.834 2.895 1.504 1.00 0.00 C ATOM 841 CG2 VAL A 57 10.225 4.286 -0.038 1.00 0.00 C ATOM 0 H VAL A 57 10.234 2.692 3.836 1.00 0.00 H new ATOM 0 HA VAL A 57 11.801 4.528 2.119 1.00 0.00 H new ATOM 0 HB VAL A 57 10.866 2.529 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.424 2.387 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.872 2.201 2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.199 3.742 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.795 3.745 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.628 5.175 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.246 4.582 -0.280 1.00 0.00 H new ATOM 851 N LYS A 58 10.049 6.405 2.254 1.00 0.00 N ATOM 852 CA LYS A 58 9.144 7.510 2.517 1.00 0.00 C ATOM 853 C LYS A 58 8.716 8.182 1.220 1.00 0.00 C ATOM 854 O LYS A 58 9.550 8.597 0.409 1.00 0.00 O ATOM 855 CB LYS A 58 9.780 8.535 3.461 1.00 0.00 C ATOM 856 CG LYS A 58 11.214 8.897 3.113 1.00 0.00 C ATOM 857 CD LYS A 58 11.671 10.137 3.862 1.00 0.00 C ATOM 858 CE LYS A 58 13.186 10.274 3.855 1.00 0.00 C ATOM 859 NZ LYS A 58 13.764 10.085 2.499 1.00 0.00 N ATOM 0 H LYS A 58 10.782 6.610 1.575 1.00 0.00 H new ATOM 0 HA LYS A 58 8.259 7.101 3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.176 9.442 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.753 8.142 4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.871 8.061 3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.297 9.067 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.224 11.021 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.315 10.092 4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.461 11.260 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.618 9.541 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.750 10.416 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.736 9.076 2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.212 10.630 1.807 1.00 0.00 H new ATOM 873 N ILE A 59 7.414 8.255 1.022 1.00 0.00 N ATOM 874 CA ILE A 59 6.840 8.977 -0.096 1.00 0.00 C ATOM 875 C ILE A 59 6.015 10.142 0.451 1.00 0.00 C ATOM 876 O ILE A 59 5.769 10.208 1.655 1.00 0.00 O ATOM 877 CB ILE A 59 5.942 8.066 -0.977 1.00 0.00 C ATOM 878 CG1 ILE A 59 4.554 7.882 -0.359 1.00 0.00 C ATOM 879 CG2 ILE A 59 6.595 6.703 -1.181 1.00 0.00 C ATOM 880 CD1 ILE A 59 3.599 7.108 -1.242 1.00 0.00 C ATOM 0 H ILE A 59 6.725 7.815 1.632 1.00 0.00 H new ATOM 0 HA ILE A 59 7.651 9.340 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 59 5.827 8.559 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.655 7.364 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.127 8.862 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.950 6.080 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.558 6.831 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.744 6.222 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.635 7.015 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.468 7.636 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.005 6.115 -1.434 1.00 0.00 H new ATOM 892 N PRO A 60 5.621 11.108 -0.391 1.00 0.00 N ATOM 893 CA PRO A 60 4.695 12.155 0.032 1.00 0.00 C ATOM 894 C PRO A 60 3.356 11.550 0.436 1.00 0.00 C ATOM 895 O PRO A 60 2.759 10.810 -0.342 1.00 0.00 O ATOM 896 CB PRO A 60 4.535 13.036 -1.215 1.00 0.00 C ATOM 897 CG PRO A 60 5.704 12.702 -2.079 1.00 0.00 C ATOM 898 CD PRO A 60 6.036 11.265 -1.792 1.00 0.00 C ATOM 0 HA PRO A 60 5.055 12.713 0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.595 12.829 -1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.528 14.094 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.463 12.844 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.552 13.350 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.497 10.586 -2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.099 11.061 -1.924 1.00 0.00 H new ATOM 906 N ASP A 61 2.897 11.854 1.651 1.00 0.00 N ATOM 907 CA ASP A 61 1.639 11.304 2.176 1.00 0.00 C ATOM 908 C ASP A 61 0.521 11.431 1.149 1.00 0.00 C ATOM 909 O ASP A 61 -0.248 10.499 0.918 1.00 0.00 O ATOM 910 CB ASP A 61 1.211 12.041 3.450 1.00 0.00 C ATOM 911 CG ASP A 61 2.260 12.021 4.542 1.00 0.00 C ATOM 912 OD1 ASP A 61 3.204 12.837 4.470 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.126 11.228 5.493 1.00 0.00 O ATOM 0 H ASP A 61 3.378 12.481 2.296 1.00 0.00 H new ATOM 0 HA ASP A 61 1.815 10.252 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.978 13.076 3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.294 11.591 3.830 1.00 0.00 H new ATOM 918 N ASP A 62 0.473 12.590 0.512 1.00 0.00 N ATOM 919 CA ASP A 62 -0.572 12.922 -0.449 1.00 0.00 C ATOM 920 C ASP A 62 -0.541 11.989 -1.662 1.00 0.00 C ATOM 921 O ASP A 62 -1.537 11.843 -2.369 1.00 0.00 O ATOM 922 CB ASP A 62 -0.401 14.375 -0.904 1.00 0.00 C ATOM 923 CG ASP A 62 -1.540 14.853 -1.777 1.00 0.00 C ATOM 924 OD1 ASP A 62 -2.593 15.228 -1.223 1.00 0.00 O ATOM 925 OD2 ASP A 62 -1.393 14.844 -3.015 1.00 0.00 O ATOM 0 H ASP A 62 1.160 13.332 0.646 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.538 12.796 0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.326 15.019 -0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.536 14.472 -1.452 1.00 0.00 H new ATOM 930 N ASP A 63 0.591 11.330 -1.883 1.00 0.00 N ATOM 931 CA ASP A 63 0.782 10.531 -3.088 1.00 0.00 C ATOM 932 C ASP A 63 0.104 9.166 -2.969 1.00 0.00 C ATOM 933 O ASP A 63 -0.273 8.574 -3.978 1.00 0.00 O ATOM 934 CB ASP A 63 2.271 10.369 -3.409 1.00 0.00 C ATOM 935 CG ASP A 63 2.507 9.939 -4.848 1.00 0.00 C ATOM 936 OD1 ASP A 63 2.305 10.774 -5.762 1.00 0.00 O ATOM 937 OD2 ASP A 63 2.903 8.782 -5.072 1.00 0.00 O ATOM 0 H ASP A 63 1.388 11.333 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 63 0.310 11.066 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.785 11.312 -3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.708 9.632 -2.735 1.00 0.00 H new ATOM 942 N VAL A 64 -0.082 8.672 -1.739 1.00 0.00 N ATOM 943 CA VAL A 64 -0.858 7.442 -1.542 1.00 0.00 C ATOM 944 C VAL A 64 -2.306 7.697 -1.965 1.00 0.00 C ATOM 945 O VAL A 64 -2.983 6.822 -2.486 1.00 0.00 O ATOM 946 CB VAL A 64 -0.812 6.921 -0.077 1.00 0.00 C ATOM 947 CG1 VAL A 64 -1.550 5.592 0.053 1.00 0.00 C ATOM 948 CG2 VAL A 64 0.629 6.768 0.401 1.00 0.00 C ATOM 0 H VAL A 64 0.284 9.092 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.407 6.664 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.311 7.658 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.503 5.249 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.592 5.724 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.083 4.851 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.635 6.403 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.151 6.058 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.131 7.734 0.357 1.00 0.00 H new ATOM 958 N LYS A 65 -2.760 8.927 -1.746 1.00 0.00 N ATOM 959 CA LYS A 65 -4.047 9.392 -2.259 1.00 0.00 C ATOM 960 C LYS A 65 -4.021 9.454 -3.790 1.00 0.00 C ATOM 961 O LYS A 65 -5.032 9.210 -4.455 1.00 0.00 O ATOM 962 CB LYS A 65 -4.362 10.774 -1.647 1.00 0.00 C ATOM 963 CG LYS A 65 -5.591 11.496 -2.213 1.00 0.00 C ATOM 964 CD LYS A 65 -5.332 12.132 -3.579 1.00 0.00 C ATOM 965 CE LYS A 65 -4.260 13.215 -3.529 1.00 0.00 C ATOM 966 NZ LYS A 65 -4.611 14.319 -2.598 1.00 0.00 N ATOM 0 H LYS A 65 -2.249 9.629 -1.210 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.833 8.692 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.501 10.650 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.492 11.417 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.415 10.787 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.907 12.269 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.028 11.358 -4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.260 12.562 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.313 12.771 -3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.111 13.621 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.609 15.222 -3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.557 14.150 -2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.913 14.359 -1.828 1.00 0.00 H new ATOM 980 N ASN A 66 -2.853 9.771 -4.332 1.00 0.00 N ATOM 981 CA ASN A 66 -2.682 10.006 -5.764 1.00 0.00 C ATOM 982 C ASN A 66 -2.797 8.698 -6.551 1.00 0.00 C ATOM 983 O ASN A 66 -3.175 8.693 -7.723 1.00 0.00 O ATOM 984 CB ASN A 66 -1.317 10.662 -6.008 1.00 0.00 C ATOM 985 CG ASN A 66 -1.073 11.038 -7.455 1.00 0.00 C ATOM 986 OD1 ASN A 66 -2.000 11.379 -8.192 1.00 0.00 O ATOM 987 ND2 ASN A 66 0.187 10.997 -7.867 1.00 0.00 N ATOM 0 H ASN A 66 -1.994 9.873 -3.792 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.472 10.672 -6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.238 11.557 -5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.532 9.980 -5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.418 11.254 -8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.925 10.709 -7.224 1.00 0.00 H new ATOM 994 N LEU A 67 -2.476 7.594 -5.896 1.00 0.00 N ATOM 995 CA LEU A 67 -2.575 6.281 -6.512 1.00 0.00 C ATOM 996 C LEU A 67 -3.909 5.631 -6.183 1.00 0.00 C ATOM 997 O LEU A 67 -4.370 5.658 -5.046 1.00 0.00 O ATOM 998 CB LEU A 67 -1.388 5.410 -6.085 1.00 0.00 C ATOM 999 CG LEU A 67 -1.025 5.472 -4.599 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -1.691 4.348 -3.823 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.482 5.418 -4.414 1.00 0.00 C ATOM 0 H LEU A 67 -2.143 7.582 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.533 6.390 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.608 4.374 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.515 5.706 -6.667 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.393 6.420 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.414 4.418 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.774 4.431 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.363 3.387 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.720 5.463 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.867 4.488 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.942 6.264 -4.925 1.00 0.00 H new ATOM 1013 N LYS A 68 -4.535 5.063 -7.203 1.00 0.00 N ATOM 1014 CA LYS A 68 -5.886 4.541 -7.073 1.00 0.00 C ATOM 1015 C LYS A 68 -5.890 3.042 -6.820 1.00 0.00 C ATOM 1016 O LYS A 68 -6.938 2.460 -6.566 1.00 0.00 O ATOM 1017 CB LYS A 68 -6.695 4.863 -8.333 1.00 0.00 C ATOM 1018 CG LYS A 68 -6.826 6.353 -8.607 1.00 0.00 C ATOM 1019 CD LYS A 68 -7.535 7.071 -7.471 1.00 0.00 C ATOM 1020 CE LYS A 68 -7.569 8.571 -7.696 1.00 0.00 C ATOM 1021 NZ LYS A 68 -8.305 9.271 -6.613 1.00 0.00 N ATOM 0 H LYS A 68 -4.127 4.952 -8.131 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.347 5.023 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.222 4.384 -9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.691 4.431 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.836 6.786 -8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.377 6.506 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.553 6.693 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.029 6.855 -6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.550 8.954 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.042 8.785 -8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.308 10.294 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.284 8.923 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.839 9.087 -5.702 1.00 0.00 H new ATOM 1035 N THR A 69 -4.729 2.410 -6.886 1.00 0.00 N ATOM 1036 CA THR A 69 -4.645 0.975 -6.666 1.00 0.00 C ATOM 1037 C THR A 69 -3.557 0.666 -5.648 1.00 0.00 C ATOM 1038 O THR A 69 -2.596 1.424 -5.517 1.00 0.00 O ATOM 1039 CB THR A 69 -4.349 0.215 -7.979 1.00 0.00 C ATOM 1040 OG1 THR A 69 -3.058 0.583 -8.478 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.405 0.526 -9.026 1.00 0.00 C ATOM 0 H THR A 69 -3.838 2.864 -7.089 1.00 0.00 H new ATOM 0 HA THR A 69 -5.612 0.642 -6.288 1.00 0.00 H new ATOM 0 HB THR A 69 -4.366 -0.854 -7.768 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.877 0.096 -9.309 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.179 -0.018 -9.943 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.385 0.223 -8.656 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.410 1.597 -9.231 1.00 0.00 H new ATOM 1049 N VAL A 70 -3.702 -0.438 -4.923 1.00 0.00 N ATOM 1050 CA VAL A 70 -2.683 -0.838 -3.961 1.00 0.00 C ATOM 1051 C VAL A 70 -1.432 -1.311 -4.698 1.00 0.00 C ATOM 1052 O VAL A 70 -0.317 -1.273 -4.168 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.219 -1.932 -3.002 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.062 -2.938 -3.755 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.089 -2.632 -2.255 1.00 0.00 C ATOM 0 H VAL A 70 -4.505 -1.065 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.420 0.025 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.846 -1.437 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.428 -3.697 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.908 -2.430 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.458 -3.413 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.506 -3.391 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.417 -3.104 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.535 -1.901 -1.665 1.00 0.00 H new ATOM 1065 N GLY A 71 -1.623 -1.711 -5.945 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.513 -2.163 -6.748 1.00 0.00 C ATOM 1067 C GLY A 71 0.349 -1.019 -7.247 1.00 0.00 C ATOM 1068 O GLY A 71 1.574 -1.136 -7.336 1.00 0.00 O ATOM 0 H GLY A 71 -2.529 -1.730 -6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.101 -2.847 -6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.892 -2.727 -7.601 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.301 0.089 -7.578 1.00 0.00 N ATOM 1073 CA ASP A 72 0.393 1.304 -7.995 1.00 0.00 C ATOM 1074 C ASP A 72 1.335 1.748 -6.880 1.00 0.00 C ATOM 1075 O ASP A 72 2.487 2.117 -7.116 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.631 2.405 -8.284 1.00 0.00 C ATOM 1077 CG ASP A 72 -0.119 3.488 -9.217 1.00 0.00 C ATOM 1078 OD1 ASP A 72 0.922 4.102 -8.922 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -0.784 3.748 -10.245 1.00 0.00 O ATOM 0 H ASP A 72 -1.317 0.173 -7.566 1.00 0.00 H new ATOM 0 HA ASP A 72 0.969 1.109 -8.900 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.522 1.954 -8.720 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.934 2.863 -7.342 1.00 0.00 H new ATOM 1084 N ALA A 73 0.822 1.668 -5.655 1.00 0.00 N ATOM 1085 CA ALA A 73 1.586 2.004 -4.461 1.00 0.00 C ATOM 1086 C ALA A 73 2.814 1.132 -4.312 1.00 0.00 C ATOM 1087 O ALA A 73 3.915 1.628 -4.070 1.00 0.00 O ATOM 1088 CB ALA A 73 0.732 1.830 -3.225 1.00 0.00 C ATOM 0 H ALA A 73 -0.134 1.369 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 73 1.899 3.043 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.316 2.085 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.136 2.486 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.400 0.794 -3.155 1.00 0.00 H new ATOM 1094 N THR A 74 2.623 -0.172 -4.455 1.00 0.00 N ATOM 1095 CA THR A 74 3.683 -1.114 -4.174 1.00 0.00 C ATOM 1096 C THR A 74 4.846 -0.900 -5.115 1.00 0.00 C ATOM 1097 O THR A 74 5.972 -0.746 -4.671 1.00 0.00 O ATOM 1098 CB THR A 74 3.204 -2.572 -4.252 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.940 -2.643 -4.922 1.00 0.00 O ATOM 1100 CG2 THR A 74 3.091 -3.168 -2.861 1.00 0.00 C ATOM 0 H THR A 74 1.747 -0.594 -4.762 1.00 0.00 H new ATOM 0 HA THR A 74 4.008 -0.930 -3.150 1.00 0.00 H new ATOM 0 HB THR A 74 3.936 -3.147 -4.819 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.006 -2.199 -5.793 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.751 -4.201 -2.934 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.065 -3.141 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.376 -2.591 -2.275 1.00 0.00 H new ATOM 1108 N LYS A 75 4.564 -0.846 -6.409 1.00 0.00 N ATOM 1109 CA LYS A 75 5.606 -0.626 -7.399 1.00 0.00 C ATOM 1110 C LYS A 75 6.334 0.696 -7.153 1.00 0.00 C ATOM 1111 O LYS A 75 7.558 0.764 -7.268 1.00 0.00 O ATOM 1112 CB LYS A 75 5.026 -0.674 -8.811 1.00 0.00 C ATOM 1113 CG LYS A 75 4.832 -2.089 -9.342 1.00 0.00 C ATOM 1114 CD LYS A 75 6.103 -2.918 -9.184 1.00 0.00 C ATOM 1115 CE LYS A 75 6.028 -4.236 -9.941 1.00 0.00 C ATOM 1116 NZ LYS A 75 6.064 -4.023 -11.411 1.00 0.00 N ATOM 0 H LYS A 75 3.626 -0.951 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 75 6.337 -1.429 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.066 -0.157 -8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.687 -0.129 -9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.012 -2.571 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.549 -2.050 -10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.957 -2.343 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.275 -3.118 -8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.860 -4.875 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.111 -4.760 -9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.233 -4.931 -11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.155 -3.629 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.830 -3.360 -11.647 1.00 0.00 H new ATOM 1130 N TYR A 76 5.588 1.731 -6.777 1.00 0.00 N ATOM 1131 CA TYR A 76 6.189 3.023 -6.460 1.00 0.00 C ATOM 1132 C TYR A 76 7.120 2.886 -5.252 1.00 0.00 C ATOM 1133 O TYR A 76 8.244 3.395 -5.257 1.00 0.00 O ATOM 1134 CB TYR A 76 5.098 4.063 -6.190 1.00 0.00 C ATOM 1135 CG TYR A 76 5.626 5.450 -5.895 1.00 0.00 C ATOM 1136 CD1 TYR A 76 6.438 6.117 -6.804 1.00 0.00 C ATOM 1137 CD2 TYR A 76 5.322 6.085 -4.702 1.00 0.00 C ATOM 1138 CE1 TYR A 76 6.928 7.381 -6.529 1.00 0.00 C ATOM 1139 CE2 TYR A 76 5.809 7.346 -4.419 1.00 0.00 C ATOM 1140 CZ TYR A 76 6.610 7.991 -5.335 1.00 0.00 C ATOM 1141 OH TYR A 76 7.106 9.247 -5.049 1.00 0.00 O ATOM 0 H TYR A 76 4.573 1.701 -6.685 1.00 0.00 H new ATOM 0 HA TYR A 76 6.778 3.360 -7.313 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.437 4.114 -7.056 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.493 3.729 -5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.691 5.641 -7.740 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.693 5.585 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.557 7.887 -7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.563 7.825 -3.483 1.00 0.00 H new ATOM 0 HH TYR A 76 6.785 9.533 -4.168 1.00 0.00 H new ATOM 1151 N ILE A 77 6.645 2.176 -4.234 1.00 0.00 N ATOM 1152 CA ILE A 77 7.446 1.875 -3.053 1.00 0.00 C ATOM 1153 C ILE A 77 8.671 1.046 -3.428 1.00 0.00 C ATOM 1154 O ILE A 77 9.784 1.324 -2.992 1.00 0.00 O ATOM 1155 CB ILE A 77 6.613 1.114 -1.993 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.609 2.063 -1.336 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.517 0.474 -0.944 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.656 1.378 -0.379 1.00 0.00 C ATOM 0 H ILE A 77 5.699 1.795 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 77 7.772 2.824 -2.628 1.00 0.00 H new ATOM 0 HB ILE A 77 6.065 0.315 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.155 2.838 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.031 2.562 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.907 -0.054 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.194 -0.230 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.097 1.248 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.975 2.115 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.083 0.622 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.223 0.903 0.422 1.00 0.00 H new ATOM 1170 N LEU A 78 8.447 0.045 -4.266 1.00 0.00 N ATOM 1171 CA LEU A 78 9.475 -0.915 -4.637 1.00 0.00 C ATOM 1172 C LEU A 78 10.610 -0.272 -5.427 1.00 0.00 C ATOM 1173 O LEU A 78 11.782 -0.583 -5.208 1.00 0.00 O ATOM 1174 CB LEU A 78 8.850 -2.052 -5.446 1.00 0.00 C ATOM 1175 CG LEU A 78 7.803 -2.883 -4.695 1.00 0.00 C ATOM 1176 CD1 LEU A 78 7.241 -3.974 -5.597 1.00 0.00 C ATOM 1177 CD2 LEU A 78 8.420 -3.486 -3.445 1.00 0.00 C ATOM 0 H LEU A 78 7.544 -0.125 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 78 9.906 -1.308 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.386 -1.631 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.645 -2.717 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 78 6.981 -2.231 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.499 -4.554 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.772 -3.519 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.049 -4.631 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.670 -4.075 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.255 -4.128 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.779 -2.688 -2.795 1.00 0.00 H new ATOM 1189 N ASP A 79 10.265 0.622 -6.339 1.00 0.00 N ATOM 1190 CA ASP A 79 11.259 1.262 -7.195 1.00 0.00 C ATOM 1191 C ASP A 79 12.058 2.318 -6.438 1.00 0.00 C ATOM 1192 O ASP A 79 13.241 2.529 -6.706 1.00 0.00 O ATOM 1193 CB ASP A 79 10.586 1.898 -8.409 1.00 0.00 C ATOM 1194 CG ASP A 79 11.570 2.646 -9.286 1.00 0.00 C ATOM 1195 OD1 ASP A 79 12.354 1.989 -10.000 1.00 0.00 O ATOM 1196 OD2 ASP A 79 11.576 3.892 -9.251 1.00 0.00 O ATOM 0 H ASP A 79 9.305 0.923 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 79 11.950 0.487 -7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.095 1.123 -8.997 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.808 2.584 -8.073 1.00 0.00 H new ATOM 1201 N HIS A 80 11.417 2.972 -5.484 1.00 0.00 N ATOM 1202 CA HIS A 80 12.049 4.078 -4.775 1.00 0.00 C ATOM 1203 C HIS A 80 12.383 3.715 -3.333 1.00 0.00 C ATOM 1204 O HIS A 80 12.550 4.603 -2.496 1.00 0.00 O ATOM 1205 CB HIS A 80 11.139 5.312 -4.785 1.00 0.00 C ATOM 1206 CG HIS A 80 11.009 5.967 -6.128 1.00 0.00 C ATOM 1207 ND1 HIS A 80 11.738 7.078 -6.508 1.00 0.00 N ATOM 1208 CD2 HIS A 80 10.203 5.675 -7.177 1.00 0.00 C ATOM 1209 CE1 HIS A 80 11.393 7.429 -7.735 1.00 0.00 C ATOM 1210 NE2 HIS A 80 10.463 6.597 -8.163 1.00 0.00 N ATOM 0 H HIS A 80 10.466 2.760 -5.182 1.00 0.00 H new ATOM 0 HA HIS A 80 12.980 4.299 -5.297 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.148 5.022 -4.437 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.526 6.041 -4.073 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.488 4.867 -7.229 1.00 0.00 H new ATOM 0 HE1 HIS A 80 11.803 8.258 -8.293 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.011 6.632 -9.077 1.00 0.00 H new ATOM 1219 N GLN A 81 12.510 2.428 -3.043 1.00 0.00 N ATOM 1220 CA GLN A 81 12.779 1.996 -1.680 1.00 0.00 C ATOM 1221 C GLN A 81 14.248 2.221 -1.320 1.00 0.00 C ATOM 1222 O GLN A 81 14.989 2.848 -2.076 1.00 0.00 O ATOM 1223 CB GLN A 81 12.392 0.525 -1.502 1.00 0.00 C ATOM 1224 CG GLN A 81 13.289 -0.456 -2.239 1.00 0.00 C ATOM 1225 CD GLN A 81 12.846 -1.892 -2.055 1.00 0.00 C ATOM 1226 OE1 GLN A 81 13.235 -2.554 -1.098 1.00 0.00 O ATOM 1227 NE2 GLN A 81 12.041 -2.388 -2.980 1.00 0.00 N ATOM 0 H GLN A 81 12.432 1.673 -3.724 1.00 0.00 H new ATOM 0 HA GLN A 81 12.172 2.595 -1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.408 0.284 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.366 0.388 -1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.293 -0.213 -3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.313 -0.346 -1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.740 -1.804 -3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.721 -3.354 -2.913 1.00 0.00 H new ATOM 1236 N ALA A 82 14.647 1.728 -0.158 1.00 0.00 N ATOM 1237 CA ALA A 82 16.017 1.882 0.329 1.00 0.00 C ATOM 1238 C ALA A 82 17.037 1.223 -0.604 1.00 0.00 C ATOM 1239 O ALA A 82 17.136 -0.023 -0.603 1.00 0.00 O ATOM 1240 CB ALA A 82 16.138 1.306 1.732 1.00 0.00 C ATOM 1241 OXT ALA A 82 17.758 1.958 -1.310 1.00 0.00 O ATOM 0 H ALA A 82 14.036 1.211 0.475 1.00 0.00 H new ATOM 0 HA ALA A 82 16.240 2.949 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.162 1.425 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.458 1.833 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.881 0.247 1.714 1.00 0.00 H new TER 1247 ALA A 82