USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 13 THR OG1 : rot -83:sc= -2.99! USER MOD Set 1.2: A 46 ASN : amide:sc= -0.415 X(o=-8.9,f=-8.5) USER MOD Set 1.3: A 51 GLN : amide:sc= -5.46! C(o=-8.9!,f=-10!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.669! USER MOD Single : A 20 SER OG : rot -57:sc= 0.577 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -2.22 F(o=-10!,f=-2.2) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.19) USER MOD Single : A 37 ASN : amide:sc= -0.707 K(o=-0.71,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= -0.577 (180deg=-0.798) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.522 F(o=-1.6,f=-0.52) USER MOD Single : A 45 MET CE :methyl -118:sc= -0.214 (180deg=-5.83!) USER MOD Single : A 48 ASN : amide:sc= -0.0588 X(o=-0.059,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 148:sc= 0.508 (180deg=0.09) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.132) USER MOD Single : A 56 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.19) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.221) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 0.424 14.335 -0.889 1.00 0.00 N ATOM 2 CA ILE A 6 1.522 14.596 0.084 1.00 0.00 C ATOM 3 C ILE A 6 2.808 13.911 -0.437 1.00 0.00 C ATOM 4 O ILE A 6 2.743 12.810 -0.946 1.00 0.00 O ATOM 5 CB ILE A 6 1.096 14.026 1.475 1.00 0.00 C ATOM 6 CG1 ILE A 6 0.659 15.181 2.395 1.00 0.00 C ATOM 7 CG2 ILE A 6 2.243 13.248 2.152 1.00 0.00 C ATOM 8 CD1 ILE A 6 0.099 14.627 3.707 1.00 0.00 C ATOM 0 HA ILE A 6 1.716 15.663 0.192 1.00 0.00 H new ATOM 0 HB ILE A 6 0.268 13.336 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.508 15.834 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.097 15.788 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.906 12.868 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.541 12.413 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.095 13.912 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.207 15.453 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.762 13.993 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.867 14.040 4.211 1.00 0.00 H new ATOM 20 N PRO A 7 3.971 14.521 -0.298 1.00 0.00 N ATOM 21 CA PRO A 7 5.231 13.877 -0.760 1.00 0.00 C ATOM 22 C PRO A 7 5.348 12.444 -0.222 1.00 0.00 C ATOM 23 O PRO A 7 5.359 12.215 0.970 1.00 0.00 O ATOM 24 CB PRO A 7 6.355 14.772 -0.212 1.00 0.00 C ATOM 25 CG PRO A 7 5.717 16.102 0.072 1.00 0.00 C ATOM 26 CD PRO A 7 4.215 15.854 0.290 1.00 0.00 C ATOM 0 HA PRO A 7 5.273 13.790 -1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.789 14.345 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.163 14.873 -0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.162 16.561 0.955 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.876 16.789 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.959 15.873 1.349 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.611 16.619 -0.198 1.00 0.00 H new ATOM 34 N ILE A 8 5.417 11.490 -1.103 1.00 0.00 N ATOM 35 CA ILE A 8 5.517 10.065 -0.699 1.00 0.00 C ATOM 36 C ILE A 8 6.408 9.887 0.556 1.00 0.00 C ATOM 37 O ILE A 8 6.114 9.085 1.419 1.00 0.00 O ATOM 38 CB ILE A 8 6.105 9.301 -1.889 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.884 7.812 -1.686 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.585 9.609 -2.016 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.594 7.029 -2.790 1.00 0.00 C ATOM 0 H ILE A 8 5.408 11.643 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 8 4.531 9.682 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 8 5.609 9.611 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.263 7.508 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.817 7.588 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.999 9.063 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.722 10.679 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.099 9.306 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.433 5.961 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.194 7.324 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.662 7.243 -2.758 1.00 0.00 H new ATOM 53 N TRP A 9 7.495 10.615 0.657 1.00 0.00 N ATOM 54 CA TRP A 9 8.405 10.468 1.850 1.00 0.00 C ATOM 55 C TRP A 9 7.832 11.234 3.052 1.00 0.00 C ATOM 56 O TRP A 9 8.528 11.473 4.019 1.00 0.00 O ATOM 57 CB TRP A 9 9.814 11.023 1.507 1.00 0.00 C ATOM 58 CG TRP A 9 9.671 12.040 0.431 1.00 0.00 C ATOM 59 CD1 TRP A 9 9.319 13.331 0.615 1.00 0.00 C ATOM 60 CD2 TRP A 9 9.823 11.855 -0.998 1.00 0.00 C ATOM 61 NE1 TRP A 9 9.244 13.950 -0.614 1.00 0.00 N ATOM 62 CE2 TRP A 9 9.535 13.079 -1.641 1.00 0.00 C ATOM 63 CE3 TRP A 9 10.174 10.749 -1.792 1.00 0.00 C ATOM 64 CZ2 TRP A 9 9.584 13.203 -3.022 1.00 0.00 C ATOM 65 CZ3 TRP A 9 10.216 10.870 -3.187 1.00 0.00 C ATOM 66 CH2 TRP A 9 9.919 12.095 -3.797 1.00 0.00 C ATOM 0 H TRP A 9 7.795 11.305 -0.031 1.00 0.00 H new ATOM 0 HA TRP A 9 8.482 9.411 2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.271 11.468 2.391 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.470 10.216 1.181 1.00 0.00 H new ATOM 0 HD1 TRP A 9 9.128 13.801 1.568 1.00 0.00 H new ATOM 0 HE1 TRP A 9 9.003 14.932 -0.747 1.00 0.00 H new ATOM 0 HE3 TRP A 9 10.412 9.804 -1.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.364 14.150 -3.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.478 10.016 -3.794 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.950 12.181 -4.873 1.00 0.00 H new ATOM 77 N GLU A 10 6.578 11.619 3.005 1.00 0.00 N ATOM 78 CA GLU A 10 5.967 12.371 4.154 1.00 0.00 C ATOM 79 C GLU A 10 4.680 11.667 4.602 1.00 0.00 C ATOM 80 O GLU A 10 4.253 11.804 5.732 1.00 0.00 O ATOM 81 CB GLU A 10 5.655 13.816 3.714 1.00 0.00 C ATOM 82 CG GLU A 10 6.884 14.706 3.933 1.00 0.00 C ATOM 83 CD GLU A 10 6.562 16.136 3.497 1.00 0.00 C ATOM 84 OE1 GLU A 10 5.406 16.401 3.213 1.00 0.00 O ATOM 85 OE2 GLU A 10 7.478 16.941 3.450 1.00 0.00 O ATOM 0 H GLU A 10 5.949 11.446 2.221 1.00 0.00 H new ATOM 0 HA GLU A 10 6.667 12.396 4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.367 13.831 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.809 14.203 4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.174 14.691 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.730 14.322 3.363 1.00 0.00 H new ATOM 92 N ARG A 11 4.060 10.908 3.737 1.00 0.00 N ATOM 93 CA ARG A 11 2.805 10.198 4.141 1.00 0.00 C ATOM 94 C ARG A 11 3.173 8.926 4.910 1.00 0.00 C ATOM 95 O ARG A 11 4.273 8.421 4.811 1.00 0.00 O ATOM 96 CB ARG A 11 1.944 9.841 2.910 1.00 0.00 C ATOM 97 CG ARG A 11 2.824 9.461 1.714 1.00 0.00 C ATOM 98 CD ARG A 11 1.941 9.184 0.491 1.00 0.00 C ATOM 99 NE ARG A 11 1.569 10.478 -0.152 1.00 0.00 N ATOM 100 CZ ARG A 11 1.078 10.492 -1.361 1.00 0.00 C ATOM 101 NH1 ARG A 11 0.900 9.373 -2.008 1.00 0.00 N ATOM 102 NH2 ARG A 11 0.762 11.627 -1.922 1.00 0.00 N ATOM 0 H ARG A 11 4.363 10.748 2.776 1.00 0.00 H new ATOM 0 HA ARG A 11 2.218 10.860 4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.280 9.012 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.312 10.689 2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.524 10.267 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.418 8.579 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.472 8.551 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.044 8.643 0.791 1.00 0.00 H new ATOM 0 HE ARG A 11 1.699 11.354 0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.145 8.485 -1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.516 9.386 -2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.899 12.502 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.378 11.639 -2.867 1.00 0.00 H new ATOM 116 N TYR A 12 2.252 8.409 5.678 1.00 0.00 N ATOM 117 CA TYR A 12 2.522 7.170 6.468 1.00 0.00 C ATOM 118 C TYR A 12 2.018 5.959 5.681 1.00 0.00 C ATOM 119 O TYR A 12 2.218 4.824 6.065 1.00 0.00 O ATOM 120 CB TYR A 12 1.791 7.263 7.817 1.00 0.00 C ATOM 121 CG TYR A 12 0.471 7.978 7.626 1.00 0.00 C ATOM 122 CD1 TYR A 12 0.447 9.368 7.456 1.00 0.00 C ATOM 123 CD2 TYR A 12 -0.726 7.251 7.616 1.00 0.00 C ATOM 124 CE1 TYR A 12 -0.772 10.032 7.274 1.00 0.00 C ATOM 125 CE2 TYR A 12 -1.946 7.914 7.434 1.00 0.00 C ATOM 126 CZ TYR A 12 -1.969 9.304 7.263 1.00 0.00 C ATOM 127 OH TYR A 12 -3.172 9.957 7.084 1.00 0.00 O ATOM 0 H TYR A 12 1.315 8.795 5.794 1.00 0.00 H new ATOM 0 HA TYR A 12 3.592 7.064 6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.621 6.265 8.221 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.406 7.799 8.540 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.370 9.928 7.465 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.708 6.179 7.749 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.790 11.104 7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.869 7.354 7.425 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.904 9.305 7.101 1.00 0.00 H new ATOM 137 N THR A 13 1.365 6.201 4.576 1.00 0.00 N ATOM 138 CA THR A 13 0.836 5.083 3.739 1.00 0.00 C ATOM 139 C THR A 13 1.051 5.435 2.267 1.00 0.00 C ATOM 140 O THR A 13 1.047 6.591 1.897 1.00 0.00 O ATOM 141 CB THR A 13 -0.664 4.909 4.025 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.268 6.192 4.105 1.00 0.00 O ATOM 143 CG2 THR A 13 -0.892 4.164 5.359 1.00 0.00 C ATOM 0 H THR A 13 1.173 7.135 4.213 1.00 0.00 H new ATOM 0 HA THR A 13 1.353 4.152 3.972 1.00 0.00 H new ATOM 0 HB THR A 13 -1.106 4.323 3.220 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.140 6.558 5.005 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.962 4.055 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.430 3.178 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.445 4.733 6.174 1.00 0.00 H new ATOM 151 N LEU A 14 1.262 4.450 1.427 1.00 0.00 N ATOM 152 CA LEU A 14 1.507 4.726 -0.027 1.00 0.00 C ATOM 153 C LEU A 14 0.298 4.316 -0.867 1.00 0.00 C ATOM 154 O LEU A 14 -0.419 3.389 -0.550 1.00 0.00 O ATOM 155 CB LEU A 14 2.740 3.923 -0.488 1.00 0.00 C ATOM 156 CG LEU A 14 4.012 4.744 -0.280 1.00 0.00 C ATOM 157 CD1 LEU A 14 4.275 4.933 1.215 1.00 0.00 C ATOM 158 CD2 LEU A 14 5.188 4.012 -0.920 1.00 0.00 C ATOM 0 H LEU A 14 1.275 3.463 1.685 1.00 0.00 H new ATOM 0 HA LEU A 14 1.677 5.794 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.805 2.990 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.638 3.658 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 14 3.891 5.724 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.183 5.519 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.433 5.456 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.396 3.959 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.100 4.592 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.303 3.033 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.002 3.888 -1.987 1.00 0.00 H new ATOM 170 N THR A 15 0.093 5.002 -1.955 1.00 0.00 N ATOM 171 CA THR A 15 -1.038 4.671 -2.854 1.00 0.00 C ATOM 172 C THR A 15 -0.626 3.511 -3.748 1.00 0.00 C ATOM 173 O THR A 15 0.420 2.921 -3.569 1.00 0.00 O ATOM 174 CB THR A 15 -1.354 5.888 -3.724 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.137 6.485 -4.140 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.163 6.902 -2.927 1.00 0.00 C ATOM 0 H THR A 15 0.669 5.786 -2.260 1.00 0.00 H new ATOM 0 HA THR A 15 -1.917 4.398 -2.270 1.00 0.00 H new ATOM 0 HB THR A 15 -1.933 5.572 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.324 7.351 -4.558 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.384 7.766 -3.554 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.096 6.445 -2.598 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.589 7.223 -2.057 1.00 0.00 H new ATOM 184 N ILE A 16 -1.422 3.191 -4.725 1.00 0.00 N ATOM 185 CA ILE A 16 -1.048 2.090 -5.629 1.00 0.00 C ATOM 186 C ILE A 16 0.086 2.583 -6.530 1.00 0.00 C ATOM 187 O ILE A 16 1.015 1.861 -6.830 1.00 0.00 O ATOM 188 CB ILE A 16 -2.260 1.698 -6.486 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.302 0.945 -5.625 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.799 0.827 -7.662 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.949 -0.544 -5.508 1.00 0.00 C ATOM 0 H ILE A 16 -2.311 3.646 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.725 1.219 -5.059 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.730 2.600 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.347 1.390 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.292 1.054 -6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.661 0.550 -8.269 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.090 1.386 -8.272 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.319 -0.074 -7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.698 -1.049 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.928 -0.992 -6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.970 -0.650 -5.042 1.00 0.00 H new ATOM 203 N GLU A 17 0.013 3.815 -6.960 1.00 0.00 N ATOM 204 CA GLU A 17 1.087 4.356 -7.836 1.00 0.00 C ATOM 205 C GLU A 17 2.367 4.501 -7.011 1.00 0.00 C ATOM 206 O GLU A 17 3.434 4.106 -7.436 1.00 0.00 O ATOM 207 CB GLU A 17 0.659 5.721 -8.416 1.00 0.00 C ATOM 208 CG GLU A 17 -0.292 6.433 -7.439 1.00 0.00 C ATOM 209 CD GLU A 17 -1.739 5.998 -7.700 1.00 0.00 C ATOM 210 OE1 GLU A 17 -2.115 4.939 -7.226 1.00 0.00 O ATOM 211 OE2 GLU A 17 -2.445 6.734 -8.370 1.00 0.00 O ATOM 0 H GLU A 17 -0.742 4.466 -6.742 1.00 0.00 H new ATOM 0 HA GLU A 17 1.267 3.675 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.538 6.340 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.166 5.578 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.013 6.198 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.202 7.513 -7.554 1.00 0.00 H new ATOM 218 N GLU A 18 2.276 5.047 -5.825 1.00 0.00 N ATOM 219 CA GLU A 18 3.490 5.184 -4.994 1.00 0.00 C ATOM 220 C GLU A 18 3.973 3.778 -4.642 1.00 0.00 C ATOM 221 O GLU A 18 5.153 3.516 -4.550 1.00 0.00 O ATOM 222 CB GLU A 18 3.149 5.956 -3.717 1.00 0.00 C ATOM 223 CG GLU A 18 3.024 7.462 -4.006 1.00 0.00 C ATOM 224 CD GLU A 18 2.184 7.702 -5.266 1.00 0.00 C ATOM 225 OE1 GLU A 18 2.650 7.361 -6.341 1.00 0.00 O ATOM 226 OE2 GLU A 18 1.094 8.234 -5.135 1.00 0.00 O ATOM 0 H GLU A 18 1.415 5.399 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 18 4.268 5.727 -5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.214 5.582 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.922 5.788 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.564 7.964 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.015 7.897 -4.135 1.00 0.00 H new ATOM 233 N ALA A 19 3.055 2.866 -4.459 1.00 0.00 N ATOM 234 CA ALA A 19 3.442 1.467 -4.128 1.00 0.00 C ATOM 235 C ALA A 19 4.142 0.836 -5.328 1.00 0.00 C ATOM 236 O ALA A 19 5.217 0.294 -5.214 1.00 0.00 O ATOM 237 CB ALA A 19 2.196 0.654 -3.786 1.00 0.00 C ATOM 0 H ALA A 19 2.051 3.032 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 19 4.116 1.474 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.484 -0.369 -3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.694 1.102 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.519 0.648 -4.641 1.00 0.00 H new ATOM 243 N SER A 20 3.547 0.891 -6.485 1.00 0.00 N ATOM 244 CA SER A 20 4.210 0.279 -7.666 1.00 0.00 C ATOM 245 C SER A 20 5.647 0.803 -7.768 1.00 0.00 C ATOM 246 O SER A 20 6.564 0.065 -8.049 1.00 0.00 O ATOM 247 CB SER A 20 3.438 0.642 -8.928 1.00 0.00 C ATOM 248 OG SER A 20 3.777 1.964 -9.324 1.00 0.00 O ATOM 0 H SER A 20 2.642 1.327 -6.663 1.00 0.00 H new ATOM 0 HA SER A 20 4.227 -0.805 -7.556 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.674 -0.061 -9.727 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.366 0.569 -8.746 1.00 0.00 H new ATOM 0 HG SER A 20 3.592 2.584 -8.588 1.00 0.00 H new ATOM 254 N LYS A 21 5.856 2.067 -7.533 1.00 0.00 N ATOM 255 CA LYS A 21 7.242 2.618 -7.603 1.00 0.00 C ATOM 256 C LYS A 21 8.023 2.199 -6.351 1.00 0.00 C ATOM 257 O LYS A 21 9.043 1.551 -6.421 1.00 0.00 O ATOM 258 CB LYS A 21 7.178 4.145 -7.671 1.00 0.00 C ATOM 259 CG LYS A 21 8.598 4.713 -7.740 1.00 0.00 C ATOM 260 CD LYS A 21 8.538 6.221 -8.005 1.00 0.00 C ATOM 261 CE LYS A 21 7.854 6.932 -6.830 1.00 0.00 C ATOM 262 NZ LYS A 21 8.237 8.372 -6.831 1.00 0.00 N ATOM 0 H LYS A 21 5.130 2.743 -7.296 1.00 0.00 H new ATOM 0 HA LYS A 21 7.742 2.232 -8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.607 4.457 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.660 4.537 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.124 4.519 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.161 4.217 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.545 6.615 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.990 6.415 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.772 6.832 -6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.147 6.467 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.774 8.855 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.269 8.457 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.936 8.811 -7.725 1.00 0.00 H new ATOM 276 N TYR A 22 7.538 2.587 -5.210 1.00 0.00 N ATOM 277 CA TYR A 22 8.211 2.255 -3.916 1.00 0.00 C ATOM 278 C TYR A 22 8.206 0.733 -3.693 1.00 0.00 C ATOM 279 O TYR A 22 9.235 0.107 -3.534 1.00 0.00 O ATOM 280 CB TYR A 22 7.398 2.946 -2.815 1.00 0.00 C ATOM 281 CG TYR A 22 8.225 3.227 -1.583 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.955 4.417 -1.485 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.215 2.323 -0.519 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.685 4.696 -0.323 1.00 0.00 C ATOM 285 CE2 TYR A 22 8.935 2.599 0.646 1.00 0.00 C ATOM 286 CZ TYR A 22 9.674 3.787 0.745 1.00 0.00 C ATOM 287 OH TYR A 22 10.386 4.064 1.894 1.00 0.00 O ATOM 0 H TYR A 22 6.683 3.134 -5.112 1.00 0.00 H new ATOM 0 HA TYR A 22 9.248 2.589 -3.914 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.992 3.882 -3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.549 2.318 -2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.955 5.120 -2.305 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.648 1.407 -0.597 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.256 5.610 -0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.923 1.899 1.469 1.00 0.00 H new ATOM 0 HH TYR A 22 10.270 3.332 2.535 1.00 0.00 H new ATOM 297 N PHE A 23 7.039 0.149 -3.680 1.00 0.00 N ATOM 298 CA PHE A 23 6.898 -1.320 -3.469 1.00 0.00 C ATOM 299 C PHE A 23 6.822 -2.021 -4.825 1.00 0.00 C ATOM 300 O PHE A 23 5.794 -2.540 -5.193 1.00 0.00 O ATOM 301 CB PHE A 23 5.607 -1.587 -2.682 1.00 0.00 C ATOM 302 CG PHE A 23 5.846 -1.311 -1.218 1.00 0.00 C ATOM 303 CD1 PHE A 23 6.403 -2.305 -0.414 1.00 0.00 C ATOM 304 CD2 PHE A 23 5.525 -0.063 -0.672 1.00 0.00 C ATOM 305 CE1 PHE A 23 6.642 -2.060 0.939 1.00 0.00 C ATOM 306 CE2 PHE A 23 5.764 0.189 0.684 1.00 0.00 C ATOM 307 CZ PHE A 23 6.324 -0.811 1.492 1.00 0.00 C ATOM 0 H PHE A 23 6.155 0.642 -3.810 1.00 0.00 H new ATOM 0 HA PHE A 23 7.755 -1.700 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.803 -0.954 -3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.290 -2.621 -2.822 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.650 -3.267 -0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.093 0.705 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.072 -2.832 1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.518 1.152 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.510 -0.620 2.538 1.00 0.00 H new ATOM 317 N ARG A 24 7.894 -2.013 -5.572 1.00 0.00 N ATOM 318 CA ARG A 24 7.890 -2.664 -6.926 1.00 0.00 C ATOM 319 C ARG A 24 7.138 -4.000 -6.888 1.00 0.00 C ATOM 320 O ARG A 24 7.728 -5.051 -6.742 1.00 0.00 O ATOM 321 CB ARG A 24 9.339 -2.911 -7.395 1.00 0.00 C ATOM 322 CG ARG A 24 9.933 -1.648 -8.067 1.00 0.00 C ATOM 323 CD ARG A 24 10.598 -0.756 -7.013 1.00 0.00 C ATOM 324 NE ARG A 24 10.886 0.597 -7.597 1.00 0.00 N ATOM 325 CZ ARG A 24 11.608 0.744 -8.677 1.00 0.00 C ATOM 326 NH1 ARG A 24 12.264 -0.265 -9.181 1.00 0.00 N ATOM 327 NH2 ARG A 24 11.719 1.924 -9.224 1.00 0.00 N ATOM 0 H ARG A 24 8.780 -1.583 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 24 7.385 -1.995 -7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.956 -3.197 -6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.360 -3.744 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.663 -1.938 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.146 -1.095 -8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.946 -0.656 -6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.523 -1.216 -6.666 1.00 0.00 H new ATOM 0 HE ARG A 24 10.507 1.425 -7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.217 -1.180 -8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.824 -0.139 -10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.244 2.725 -8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.281 2.045 -10.067 1.00 0.00 H new ATOM 341 N ILE A 25 5.842 -3.959 -7.052 1.00 0.00 N ATOM 342 CA ILE A 25 5.024 -5.212 -7.056 1.00 0.00 C ATOM 343 C ILE A 25 3.977 -5.081 -8.178 1.00 0.00 C ATOM 344 O ILE A 25 3.772 -4.012 -8.718 1.00 0.00 O ATOM 345 CB ILE A 25 4.360 -5.386 -5.649 1.00 0.00 C ATOM 346 CG1 ILE A 25 4.701 -6.773 -5.047 1.00 0.00 C ATOM 347 CG2 ILE A 25 2.830 -5.229 -5.715 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.099 -6.749 -4.406 1.00 0.00 C ATOM 0 H ILE A 25 5.307 -3.101 -7.185 1.00 0.00 H new ATOM 0 HA ILE A 25 5.632 -6.097 -7.245 1.00 0.00 H new ATOM 0 HB ILE A 25 4.763 -4.600 -5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.956 -7.046 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.664 -7.534 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.408 -5.357 -4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.582 -4.236 -6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.415 -5.983 -6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.324 -7.730 -3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.842 -6.498 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.123 -6.002 -3.613 1.00 0.00 H new ATOM 360 N GLY A 26 3.317 -6.148 -8.531 1.00 0.00 N ATOM 361 CA GLY A 26 2.293 -6.060 -9.614 1.00 0.00 C ATOM 362 C GLY A 26 1.227 -5.025 -9.234 1.00 0.00 C ATOM 363 O GLY A 26 0.604 -5.112 -8.195 1.00 0.00 O ATOM 0 H GLY A 26 3.440 -7.074 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.767 -5.779 -10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.829 -7.034 -9.769 1.00 0.00 H new ATOM 367 N GLU A 27 1.016 -4.045 -10.073 1.00 0.00 N ATOM 368 CA GLU A 27 -0.004 -2.995 -9.773 1.00 0.00 C ATOM 369 C GLU A 27 -1.342 -3.648 -9.403 1.00 0.00 C ATOM 370 O GLU A 27 -1.840 -3.497 -8.304 1.00 0.00 O ATOM 371 CB GLU A 27 -0.208 -2.119 -11.012 1.00 0.00 C ATOM 372 CG GLU A 27 1.006 -1.210 -11.206 1.00 0.00 C ATOM 373 CD GLU A 27 2.244 -2.063 -11.485 1.00 0.00 C ATOM 374 OE1 GLU A 27 2.401 -2.491 -12.617 1.00 0.00 O ATOM 375 OE2 GLU A 27 3.013 -2.275 -10.563 1.00 0.00 O ATOM 0 H GLU A 27 1.509 -3.926 -10.958 1.00 0.00 H new ATOM 0 HA GLU A 27 0.347 -2.390 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.350 -2.745 -11.893 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.110 -1.518 -10.900 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.831 -0.523 -12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.164 -0.602 -10.315 1.00 0.00 H new ATOM 382 N ASN A 28 -1.933 -4.356 -10.327 1.00 0.00 N ATOM 383 CA ASN A 28 -3.247 -5.011 -10.061 1.00 0.00 C ATOM 384 C ASN A 28 -3.117 -6.012 -8.917 1.00 0.00 C ATOM 385 O ASN A 28 -4.093 -6.414 -8.316 1.00 0.00 O ATOM 386 CB ASN A 28 -3.702 -5.748 -11.318 1.00 0.00 C ATOM 387 CG ASN A 28 -2.673 -6.819 -11.686 1.00 0.00 C ATOM 388 OD1 ASN A 28 -1.512 -6.825 -11.090 1.00 0.00 O flip ATOM 389 ND2 ASN A 28 -2.929 -7.660 -12.524 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.559 -4.510 -11.263 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.975 -4.248 -9.786 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.676 -6.208 -11.150 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.820 -5.044 -12.142 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.836 -7.656 -12.990 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.237 -8.370 -12.762 1.00 0.00 H new ATOM 396 N LYS A 29 -1.922 -6.416 -8.608 1.00 0.00 N ATOM 397 CA LYS A 29 -1.733 -7.389 -7.499 1.00 0.00 C ATOM 398 C LYS A 29 -2.088 -6.688 -6.185 1.00 0.00 C ATOM 399 O LYS A 29 -2.651 -7.270 -5.280 1.00 0.00 O ATOM 400 CB LYS A 29 -0.266 -7.843 -7.496 1.00 0.00 C ATOM 401 CG LYS A 29 -0.125 -9.217 -6.834 1.00 0.00 C ATOM 402 CD LYS A 29 -0.415 -9.118 -5.323 1.00 0.00 C ATOM 403 CE LYS A 29 0.396 -10.181 -4.578 1.00 0.00 C ATOM 404 NZ LYS A 29 0.021 -11.533 -5.079 1.00 0.00 N ATOM 0 H LYS A 29 -1.066 -6.116 -9.074 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.372 -8.264 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.108 -7.887 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.344 -7.113 -6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.814 -9.923 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.882 -9.603 -6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.156 -8.125 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.479 -9.260 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.462 -10.010 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.207 -10.113 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.339 -12.255 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.012 -11.589 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.474 -11.700 -6.000 1.00 0.00 H new ATOM 418 N LEU A 30 -1.777 -5.427 -6.098 1.00 0.00 N ATOM 419 CA LEU A 30 -2.100 -4.641 -4.874 1.00 0.00 C ATOM 420 C LEU A 30 -3.614 -4.446 -4.785 1.00 0.00 C ATOM 421 O LEU A 30 -4.245 -4.817 -3.815 1.00 0.00 O ATOM 422 CB LEU A 30 -1.430 -3.272 -4.979 1.00 0.00 C ATOM 423 CG LEU A 30 0.100 -3.413 -4.872 1.00 0.00 C ATOM 424 CD1 LEU A 30 0.784 -2.222 -5.559 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.527 -3.449 -3.398 1.00 0.00 C ATOM 0 H LEU A 30 -1.306 -4.899 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.744 -5.169 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.693 -2.803 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.798 -2.619 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 30 0.397 -4.341 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.866 -2.328 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.498 -2.195 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.474 -1.296 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.611 -3.549 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.219 -2.526 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.055 -4.298 -2.903 1.00 0.00 H new ATOM 437 N ARG A 31 -4.199 -3.857 -5.792 1.00 0.00 N ATOM 438 CA ARG A 31 -5.670 -3.624 -5.775 1.00 0.00 C ATOM 439 C ARG A 31 -6.403 -4.944 -5.524 1.00 0.00 C ATOM 440 O ARG A 31 -7.372 -4.996 -4.794 1.00 0.00 O ATOM 441 CB ARG A 31 -6.108 -3.046 -7.123 1.00 0.00 C ATOM 442 CG ARG A 31 -7.632 -2.918 -7.155 1.00 0.00 C ATOM 443 CD ARG A 31 -8.048 -2.040 -8.337 1.00 0.00 C ATOM 444 NE ARG A 31 -7.571 -2.655 -9.607 1.00 0.00 N ATOM 445 CZ ARG A 31 -8.050 -2.247 -10.750 1.00 0.00 C ATOM 446 NH1 ARG A 31 -8.950 -1.302 -10.781 1.00 0.00 N ATOM 447 NH2 ARG A 31 -7.627 -2.783 -11.863 1.00 0.00 N ATOM 0 H ARG A 31 -3.719 -3.526 -6.629 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.914 -2.922 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.648 -2.070 -7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.770 -3.691 -7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.088 -3.904 -7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.990 -2.483 -6.222 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.132 -1.931 -8.358 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.629 -1.040 -8.225 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.870 -3.395 -9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.279 -0.882 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.324 -0.983 -11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.923 -3.520 -11.839 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.001 -2.464 -12.757 1.00 0.00 H new ATOM 461 N ARG A 32 -5.955 -6.009 -6.128 1.00 0.00 N ATOM 462 CA ARG A 32 -6.639 -7.317 -5.924 1.00 0.00 C ATOM 463 C ARG A 32 -6.577 -7.709 -4.447 1.00 0.00 C ATOM 464 O ARG A 32 -7.513 -8.260 -3.905 1.00 0.00 O ATOM 465 CB ARG A 32 -5.955 -8.397 -6.772 1.00 0.00 C ATOM 466 CG ARG A 32 -6.664 -9.767 -6.574 1.00 0.00 C ATOM 467 CD ARG A 32 -6.934 -10.432 -7.931 1.00 0.00 C ATOM 468 NE ARG A 32 -5.665 -10.508 -8.710 1.00 0.00 N ATOM 469 CZ ARG A 32 -5.585 -11.286 -9.756 1.00 0.00 C ATOM 470 NH1 ARG A 32 -6.613 -12.007 -10.116 1.00 0.00 N ATOM 471 NH2 ARG A 32 -4.476 -11.345 -10.440 1.00 0.00 N ATOM 0 H ARG A 32 -5.148 -6.031 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.682 -7.226 -6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.982 -8.114 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.905 -8.479 -6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.043 -10.419 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.603 -9.624 -6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.342 -11.432 -7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.680 -9.862 -8.485 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.859 -9.952 -8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.480 -11.963 -9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.549 -12.614 -10.933 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.672 -10.784 -10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.412 -11.952 -11.257 1.00 0.00 H new ATOM 485 N LEU A 33 -5.484 -7.431 -3.792 1.00 0.00 N ATOM 486 CA LEU A 33 -5.367 -7.791 -2.348 1.00 0.00 C ATOM 487 C LEU A 33 -6.402 -6.999 -1.540 1.00 0.00 C ATOM 488 O LEU A 33 -7.049 -7.524 -0.656 1.00 0.00 O ATOM 489 CB LEU A 33 -3.951 -7.444 -1.851 1.00 0.00 C ATOM 490 CG LEU A 33 -2.983 -8.613 -2.095 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.537 -8.095 -2.036 1.00 0.00 C ATOM 492 CD2 LEU A 33 -3.175 -9.703 -1.023 1.00 0.00 C ATOM 0 H LEU A 33 -4.667 -6.971 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.547 -8.858 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.589 -6.553 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.982 -7.208 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.188 -9.042 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.847 -8.921 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.391 -7.334 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.346 -7.662 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.482 -10.523 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.980 -9.282 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.198 -10.076 -1.063 1.00 0.00 H new ATOM 504 N ALA A 34 -6.550 -5.738 -1.828 1.00 0.00 N ATOM 505 CA ALA A 34 -7.530 -4.909 -1.069 1.00 0.00 C ATOM 506 C ALA A 34 -8.953 -5.363 -1.397 1.00 0.00 C ATOM 507 O ALA A 34 -9.645 -5.922 -0.569 1.00 0.00 O ATOM 508 CB ALA A 34 -7.364 -3.441 -1.464 1.00 0.00 C ATOM 0 H ALA A 34 -6.035 -5.243 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.351 -5.026 -0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.079 -2.832 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.351 -3.114 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.543 -3.329 -2.533 1.00 0.00 H new ATOM 514 N GLU A 35 -9.395 -5.122 -2.599 1.00 0.00 N ATOM 515 CA GLU A 35 -10.773 -5.531 -2.987 1.00 0.00 C ATOM 516 C GLU A 35 -11.024 -6.982 -2.560 1.00 0.00 C ATOM 517 O GLU A 35 -12.148 -7.442 -2.527 1.00 0.00 O ATOM 518 CB GLU A 35 -10.921 -5.409 -4.506 1.00 0.00 C ATOM 519 CG GLU A 35 -11.094 -3.936 -4.890 1.00 0.00 C ATOM 520 CD GLU A 35 -10.976 -3.787 -6.408 1.00 0.00 C ATOM 521 OE1 GLU A 35 -10.313 -4.613 -7.015 1.00 0.00 O ATOM 522 OE2 GLU A 35 -11.549 -2.850 -6.938 1.00 0.00 O ATOM 0 H GLU A 35 -8.859 -4.658 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.499 -4.885 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.043 -5.823 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.781 -5.987 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.065 -3.573 -4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.337 -3.329 -4.394 1.00 0.00 H new ATOM 529 N GLU A 36 -9.986 -7.710 -2.235 1.00 0.00 N ATOM 530 CA GLU A 36 -10.163 -9.124 -1.815 1.00 0.00 C ATOM 531 C GLU A 36 -10.465 -9.171 -0.312 1.00 0.00 C ATOM 532 O GLU A 36 -11.238 -9.988 0.147 1.00 0.00 O ATOM 533 CB GLU A 36 -8.870 -9.891 -2.132 1.00 0.00 C ATOM 534 CG GLU A 36 -8.825 -11.199 -1.346 1.00 0.00 C ATOM 535 CD GLU A 36 -7.761 -12.125 -1.943 1.00 0.00 C ATOM 536 OE1 GLU A 36 -7.882 -12.460 -3.110 1.00 0.00 O ATOM 537 OE2 GLU A 36 -6.843 -12.482 -1.223 1.00 0.00 O ATOM 0 H GLU A 36 -9.021 -7.380 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.995 -9.583 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.815 -10.099 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.004 -9.278 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.599 -10.997 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.800 -11.685 -1.374 1.00 0.00 H new ATOM 544 N ASN A 37 -9.857 -8.301 0.455 1.00 0.00 N ATOM 545 CA ASN A 37 -10.098 -8.289 1.933 1.00 0.00 C ATOM 546 C ASN A 37 -10.267 -6.847 2.418 1.00 0.00 C ATOM 547 O ASN A 37 -9.436 -6.322 3.131 1.00 0.00 O ATOM 548 CB ASN A 37 -8.902 -8.928 2.643 1.00 0.00 C ATOM 549 CG ASN A 37 -8.872 -10.427 2.340 1.00 0.00 C ATOM 550 OD1 ASN A 37 -9.901 -11.034 2.119 1.00 0.00 O ATOM 551 ND2 ASN A 37 -7.727 -11.054 2.318 1.00 0.00 N ATOM 0 H ASN A 37 -9.201 -7.595 0.121 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.004 -8.852 2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.975 -8.460 2.311 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.974 -8.765 3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.697 -12.053 2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.863 -10.545 2.503 1.00 0.00 H new ATOM 558 N LYS A 38 -11.340 -6.203 2.043 1.00 0.00 N ATOM 559 CA LYS A 38 -11.562 -4.797 2.492 1.00 0.00 C ATOM 560 C LYS A 38 -11.322 -4.706 4.005 1.00 0.00 C ATOM 561 O LYS A 38 -11.186 -3.633 4.560 1.00 0.00 O ATOM 562 CB LYS A 38 -13.003 -4.353 2.160 1.00 0.00 C ATOM 563 CG LYS A 38 -13.972 -5.555 2.241 1.00 0.00 C ATOM 564 CD LYS A 38 -14.176 -6.168 0.846 1.00 0.00 C ATOM 565 CE LYS A 38 -14.699 -7.601 0.980 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.638 -8.464 1.571 1.00 0.00 N ATOM 0 H LYS A 38 -12.072 -6.589 1.446 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.867 -4.138 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.320 -3.576 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.035 -3.919 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.574 -6.307 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.930 -5.232 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.882 -5.566 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.235 -6.165 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.589 -7.617 1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.993 -7.985 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.926 -9.461 1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.748 -8.326 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.498 -8.208 2.569 1.00 0.00 H new ATOM 580 N ASN A 39 -11.274 -5.828 4.675 1.00 0.00 N ATOM 581 CA ASN A 39 -11.048 -5.827 6.151 1.00 0.00 C ATOM 582 C ASN A 39 -9.571 -6.102 6.435 1.00 0.00 C ATOM 583 O ASN A 39 -9.183 -6.393 7.550 1.00 0.00 O ATOM 584 CB ASN A 39 -11.902 -6.927 6.784 1.00 0.00 C ATOM 585 CG ASN A 39 -13.365 -6.482 6.818 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.817 -5.912 7.791 1.00 0.00 O ATOM 587 ND2 ASN A 39 -14.130 -6.720 5.788 1.00 0.00 N ATOM 0 H ASN A 39 -11.383 -6.753 4.259 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.324 -4.859 6.569 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.805 -7.851 6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.552 -7.138 7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.107 -6.427 5.800 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.751 -7.199 4.971 1.00 0.00 H new ATOM 594 N ALA A 40 -8.748 -6.013 5.431 1.00 0.00 N ATOM 595 CA ALA A 40 -7.294 -6.266 5.624 1.00 0.00 C ATOM 596 C ALA A 40 -6.756 -5.359 6.739 1.00 0.00 C ATOM 597 O ALA A 40 -7.184 -4.237 6.904 1.00 0.00 O ATOM 598 CB ALA A 40 -6.562 -5.964 4.308 1.00 0.00 C ATOM 0 H ALA A 40 -9.021 -5.774 4.478 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.131 -7.306 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.495 -6.145 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.948 -6.610 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.723 -4.921 4.033 1.00 0.00 H new ATOM 604 N ASN A 41 -5.817 -5.836 7.502 1.00 0.00 N ATOM 605 CA ASN A 41 -5.240 -4.994 8.587 1.00 0.00 C ATOM 606 C ASN A 41 -4.186 -4.049 7.993 1.00 0.00 C ATOM 607 O ASN A 41 -3.750 -3.111 8.631 1.00 0.00 O ATOM 608 CB ASN A 41 -4.582 -5.897 9.635 1.00 0.00 C ATOM 609 CG ASN A 41 -4.165 -5.058 10.844 1.00 0.00 C ATOM 610 OD1 ASN A 41 -3.073 -4.346 10.783 1.00 0.00 O flip ATOM 611 ND2 ASN A 41 -4.839 -5.051 11.855 1.00 0.00 N flip ATOM 0 H ASN A 41 -5.422 -6.773 7.423 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.031 -4.409 9.055 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.276 -6.679 9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.712 -6.394 9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.693 -5.607 11.903 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.551 -4.489 12.656 1.00 0.00 H new ATOM 618 N TRP A 42 -3.746 -4.317 6.786 1.00 0.00 N ATOM 619 CA TRP A 42 -2.683 -3.470 6.150 1.00 0.00 C ATOM 620 C TRP A 42 -3.269 -2.494 5.118 1.00 0.00 C ATOM 621 O TRP A 42 -2.590 -1.587 4.679 1.00 0.00 O ATOM 622 CB TRP A 42 -1.697 -4.394 5.433 1.00 0.00 C ATOM 623 CG TRP A 42 -2.475 -5.325 4.565 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.799 -6.598 4.887 1.00 0.00 C ATOM 625 CD2 TRP A 42 -3.052 -5.073 3.252 1.00 0.00 C ATOM 626 NE1 TRP A 42 -3.544 -7.142 3.858 1.00 0.00 N ATOM 627 CE2 TRP A 42 -3.726 -6.241 2.827 1.00 0.00 C ATOM 628 CE3 TRP A 42 -3.057 -3.955 2.396 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -4.386 -6.299 1.603 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.718 -4.010 1.160 1.00 0.00 C ATOM 631 CH2 TRP A 42 -4.383 -5.178 0.765 1.00 0.00 C ATOM 0 H TRP A 42 -4.079 -5.090 6.210 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.197 -2.888 6.933 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.997 -3.811 4.834 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.106 -4.955 6.157 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.521 -7.106 5.799 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.914 -8.092 3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.549 -3.050 2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.896 -7.202 1.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.714 -3.148 0.510 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.893 -5.213 -0.186 1.00 0.00 H new ATOM 642 N LEU A 43 -4.496 -2.673 4.692 1.00 0.00 N ATOM 643 CA LEU A 43 -5.067 -1.752 3.660 1.00 0.00 C ATOM 644 C LEU A 43 -5.818 -0.598 4.335 1.00 0.00 C ATOM 645 O LEU A 43 -6.192 -0.669 5.489 1.00 0.00 O ATOM 646 CB LEU A 43 -5.993 -2.584 2.735 1.00 0.00 C ATOM 647 CG LEU A 43 -7.499 -2.476 3.111 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.733 -2.696 4.628 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.090 -1.111 2.652 1.00 0.00 C ATOM 0 H LEU A 43 -5.123 -3.412 5.012 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.275 -1.303 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.858 -2.253 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.690 -3.630 2.776 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.022 -3.273 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.797 -2.612 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.381 -3.688 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.185 -1.942 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.144 -1.060 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.549 -0.299 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.992 -1.017 1.570 1.00 0.00 H new ATOM 661 N ILE A 44 -6.022 0.473 3.617 1.00 0.00 N ATOM 662 CA ILE A 44 -6.730 1.654 4.181 1.00 0.00 C ATOM 663 C ILE A 44 -7.585 2.268 3.065 1.00 0.00 C ATOM 664 O ILE A 44 -7.296 2.106 1.897 1.00 0.00 O ATOM 665 CB ILE A 44 -5.657 2.654 4.685 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.419 2.454 6.198 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.073 4.110 4.420 1.00 0.00 C ATOM 668 CD1 ILE A 44 -4.002 2.902 6.559 1.00 0.00 C ATOM 0 H ILE A 44 -5.722 0.579 2.648 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.380 1.386 5.014 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.736 2.457 4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.149 3.027 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.558 1.406 6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.297 4.782 4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.208 4.261 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.009 4.321 4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.836 2.760 7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.279 2.310 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.879 3.956 6.310 1.00 0.00 H new ATOM 680 N MET A 45 -8.629 2.975 3.420 1.00 0.00 N ATOM 681 CA MET A 45 -9.504 3.613 2.387 1.00 0.00 C ATOM 682 C MET A 45 -9.757 5.069 2.769 1.00 0.00 C ATOM 683 O MET A 45 -10.533 5.367 3.656 1.00 0.00 O ATOM 684 CB MET A 45 -10.844 2.875 2.309 1.00 0.00 C ATOM 685 CG MET A 45 -10.637 1.428 1.813 1.00 0.00 C ATOM 686 SD MET A 45 -12.018 0.954 0.739 1.00 0.00 S ATOM 687 CE MET A 45 -11.551 1.942 -0.709 1.00 0.00 C ATOM 0 H MET A 45 -8.915 3.139 4.385 1.00 0.00 H new ATOM 0 HA MET A 45 -9.007 3.563 1.418 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.318 2.865 3.291 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.518 3.404 1.635 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.696 1.350 1.269 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.572 0.747 2.662 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.332 2.674 -0.917 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.613 2.459 -0.509 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.428 1.287 -1.572 1.00 0.00 H new ATOM 697 N ASN A 46 -9.110 5.978 2.097 1.00 0.00 N ATOM 698 CA ASN A 46 -9.305 7.425 2.400 1.00 0.00 C ATOM 699 C ASN A 46 -10.442 7.959 1.530 1.00 0.00 C ATOM 700 O ASN A 46 -10.220 8.536 0.484 1.00 0.00 O ATOM 701 CB ASN A 46 -8.013 8.188 2.086 1.00 0.00 C ATOM 702 CG ASN A 46 -6.996 7.957 3.205 1.00 0.00 C ATOM 703 OD1 ASN A 46 -6.903 8.741 4.129 1.00 0.00 O ATOM 704 ND2 ASN A 46 -6.224 6.906 3.161 1.00 0.00 N ATOM 0 H ASN A 46 -8.449 5.781 1.345 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.552 7.558 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.603 7.853 1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.223 9.253 1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.543 6.742 3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.302 6.248 2.386 1.00 0.00 H new ATOM 711 N GLY A 47 -11.662 7.755 1.947 1.00 0.00 N ATOM 712 CA GLY A 47 -12.813 8.234 1.136 1.00 0.00 C ATOM 713 C GLY A 47 -13.027 7.273 -0.022 1.00 0.00 C ATOM 714 O GLY A 47 -14.049 6.624 -0.129 1.00 0.00 O ATOM 0 H GLY A 47 -11.909 7.278 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.711 8.290 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.619 9.239 0.762 1.00 0.00 H new ATOM 718 N ASN A 48 -12.068 7.183 -0.898 1.00 0.00 N ATOM 719 CA ASN A 48 -12.205 6.271 -2.066 1.00 0.00 C ATOM 720 C ASN A 48 -10.824 5.763 -2.503 1.00 0.00 C ATOM 721 O ASN A 48 -10.705 4.719 -3.112 1.00 0.00 O ATOM 722 CB ASN A 48 -12.863 7.050 -3.206 1.00 0.00 C ATOM 723 CG ASN A 48 -13.451 6.076 -4.231 1.00 0.00 C ATOM 724 OD1 ASN A 48 -13.044 6.061 -5.376 1.00 0.00 O ATOM 725 ND2 ASN A 48 -14.399 5.256 -3.866 1.00 0.00 N ATOM 0 H ASN A 48 -11.192 7.704 -0.856 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.817 5.409 -1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.648 7.695 -2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.130 7.698 -3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.797 4.604 -4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.741 5.268 -2.905 1.00 0.00 H new ATOM 732 N ARG A 49 -9.782 6.495 -2.209 1.00 0.00 N ATOM 733 CA ARG A 49 -8.419 6.052 -2.623 1.00 0.00 C ATOM 734 C ARG A 49 -7.886 4.994 -1.652 1.00 0.00 C ATOM 735 O ARG A 49 -7.819 5.209 -0.457 1.00 0.00 O ATOM 736 CB ARG A 49 -7.476 7.256 -2.622 1.00 0.00 C ATOM 737 CG ARG A 49 -7.848 8.199 -3.769 1.00 0.00 C ATOM 738 CD ARG A 49 -7.179 9.557 -3.550 1.00 0.00 C ATOM 739 NE ARG A 49 -5.698 9.396 -3.603 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.933 10.443 -3.748 1.00 0.00 C ATOM 741 NH1 ARG A 49 -5.465 11.631 -3.854 1.00 0.00 N ATOM 742 NH2 ARG A 49 -3.636 10.303 -3.789 1.00 0.00 N ATOM 0 H ARG A 49 -9.816 7.379 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.475 5.621 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.542 7.782 -1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.444 6.923 -2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.530 7.774 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.930 8.319 -3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.506 10.263 -4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.476 9.970 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.283 8.468 -3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.479 11.740 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.867 12.449 -3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.220 9.375 -3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.038 11.122 -3.902 1.00 0.00 H new ATOM 756 N ILE A 50 -7.495 3.856 -2.162 1.00 0.00 N ATOM 757 CA ILE A 50 -6.950 2.781 -1.281 1.00 0.00 C ATOM 758 C ILE A 50 -5.458 3.034 -1.048 1.00 0.00 C ATOM 759 O ILE A 50 -4.675 3.022 -1.977 1.00 0.00 O ATOM 760 CB ILE A 50 -7.135 1.422 -1.968 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.625 1.081 -2.023 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.391 0.336 -1.183 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.840 -0.132 -2.930 1.00 0.00 C ATOM 0 H ILE A 50 -7.530 3.624 -3.155 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.477 2.782 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.732 1.472 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.997 0.869 -1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.190 1.934 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.526 -0.627 -1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.329 0.578 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.788 0.283 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.902 -0.374 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.484 0.097 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.288 -0.984 -2.535 1.00 0.00 H new ATOM 775 N GLN A 51 -5.054 3.260 0.184 1.00 0.00 N ATOM 776 CA GLN A 51 -3.601 3.511 0.475 1.00 0.00 C ATOM 777 C GLN A 51 -3.004 2.280 1.170 1.00 0.00 C ATOM 778 O GLN A 51 -3.679 1.559 1.877 1.00 0.00 O ATOM 779 CB GLN A 51 -3.453 4.774 1.362 1.00 0.00 C ATOM 780 CG GLN A 51 -2.234 5.599 0.904 1.00 0.00 C ATOM 781 CD GLN A 51 -2.119 6.880 1.734 1.00 0.00 C ATOM 782 OE1 GLN A 51 -2.971 7.169 2.550 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.086 7.667 1.557 1.00 0.00 N ATOM 0 H GLN A 51 -5.667 3.281 0.999 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.061 3.684 -0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.357 5.380 1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.335 4.484 2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.325 5.007 1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.331 5.849 -0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.371 7.424 0.872 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.997 8.523 2.105 1.00 0.00 H new ATOM 792 N ILE A 52 -1.740 2.030 0.944 1.00 0.00 N ATOM 793 CA ILE A 52 -1.071 0.838 1.550 1.00 0.00 C ATOM 794 C ILE A 52 -0.376 1.233 2.862 1.00 0.00 C ATOM 795 O ILE A 52 0.083 2.346 3.020 1.00 0.00 O ATOM 796 CB ILE A 52 -0.010 0.314 0.572 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.612 0.096 -0.836 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.581 -0.992 1.107 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.436 -1.197 -0.913 1.00 0.00 C ATOM 0 H ILE A 52 -1.136 2.607 0.359 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.819 0.072 1.752 1.00 0.00 H new ATOM 0 HB ILE A 52 0.781 1.059 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.244 0.945 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.191 0.059 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.334 -1.362 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.042 -0.812 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.211 -1.733 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.840 -1.311 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.798 -2.049 -0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.255 -1.150 -0.196 1.00 0.00 H new ATOM 811 N LYS A 53 -0.282 0.322 3.803 1.00 0.00 N ATOM 812 CA LYS A 53 0.397 0.648 5.097 1.00 0.00 C ATOM 813 C LYS A 53 1.911 0.515 4.928 1.00 0.00 C ATOM 814 O LYS A 53 2.450 -0.566 4.858 1.00 0.00 O ATOM 815 CB LYS A 53 -0.089 -0.304 6.215 1.00 0.00 C ATOM 816 CG LYS A 53 -1.341 0.263 6.925 1.00 0.00 C ATOM 817 CD LYS A 53 -1.443 -0.317 8.343 1.00 0.00 C ATOM 818 CE LYS A 53 -2.876 -0.170 8.865 1.00 0.00 C ATOM 819 NZ LYS A 53 -2.985 -0.818 10.202 1.00 0.00 N ATOM 0 H LYS A 53 -0.645 -0.629 3.731 1.00 0.00 H new ATOM 0 HA LYS A 53 0.150 1.672 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.319 -1.281 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.709 -0.453 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.283 1.351 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.237 0.015 6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.155 -1.368 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.750 0.199 9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.142 0.885 8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.577 -0.629 8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.684 -0.308 10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.287 -1.806 10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.060 -0.792 10.677 1.00 0.00 H new ATOM 833 N ARG A 54 2.595 1.618 4.882 1.00 0.00 N ATOM 834 CA ARG A 54 4.075 1.582 4.733 1.00 0.00 C ATOM 835 C ARG A 54 4.689 0.797 5.897 1.00 0.00 C ATOM 836 O ARG A 54 5.581 -0.002 5.715 1.00 0.00 O ATOM 837 CB ARG A 54 4.601 3.019 4.758 1.00 0.00 C ATOM 838 CG ARG A 54 6.104 3.041 4.441 1.00 0.00 C ATOM 839 CD ARG A 54 6.706 4.385 4.861 1.00 0.00 C ATOM 840 NE ARG A 54 6.299 5.437 3.889 1.00 0.00 N ATOM 841 CZ ARG A 54 6.435 6.697 4.199 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.908 7.034 5.366 1.00 0.00 N ATOM 843 NH2 ARG A 54 6.096 7.620 3.341 1.00 0.00 N ATOM 0 H ARG A 54 2.191 2.553 4.942 1.00 0.00 H new ATOM 0 HA ARG A 54 4.343 1.099 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.060 3.624 4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.422 3.462 5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.607 2.228 4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.262 2.879 3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.368 4.650 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.793 4.312 4.901 1.00 0.00 H new ATOM 0 HE ARG A 54 5.914 5.173 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.172 6.313 6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.014 8.019 5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.725 7.356 2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.202 8.605 3.583 1.00 0.00 H new ATOM 857 N LYS A 55 4.233 1.033 7.094 1.00 0.00 N ATOM 858 CA LYS A 55 4.812 0.314 8.267 1.00 0.00 C ATOM 859 C LYS A 55 4.607 -1.199 8.123 1.00 0.00 C ATOM 860 O LYS A 55 5.552 -1.957 8.026 1.00 0.00 O ATOM 861 CB LYS A 55 4.127 0.793 9.556 1.00 0.00 C ATOM 862 CG LYS A 55 4.614 2.202 9.936 1.00 0.00 C ATOM 863 CD LYS A 55 3.950 3.259 9.044 1.00 0.00 C ATOM 864 CE LYS A 55 4.181 4.648 9.643 1.00 0.00 C ATOM 865 NZ LYS A 55 5.634 4.974 9.594 1.00 0.00 N ATOM 0 H LYS A 55 3.485 1.691 7.313 1.00 0.00 H new ATOM 0 HA LYS A 55 5.880 0.527 8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.046 0.801 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.340 0.097 10.368 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.383 2.403 10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.698 2.259 9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.363 3.212 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.882 3.060 8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.611 5.394 9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.826 4.675 10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.775 5.970 9.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.149 4.363 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.993 4.816 8.631 1.00 0.00 H new ATOM 879 N GLN A 56 3.383 -1.643 8.141 1.00 0.00 N ATOM 880 CA GLN A 56 3.110 -3.108 8.042 1.00 0.00 C ATOM 881 C GLN A 56 3.688 -3.701 6.752 1.00 0.00 C ATOM 882 O GLN A 56 4.131 -4.832 6.732 1.00 0.00 O ATOM 883 CB GLN A 56 1.599 -3.339 8.063 1.00 0.00 C ATOM 884 CG GLN A 56 1.315 -4.821 8.308 1.00 0.00 C ATOM 885 CD GLN A 56 1.648 -5.169 9.760 1.00 0.00 C ATOM 886 OE1 GLN A 56 2.652 -5.797 10.031 1.00 0.00 O ATOM 887 NE2 GLN A 56 0.843 -4.783 10.711 1.00 0.00 N ATOM 0 H GLN A 56 2.554 -1.054 8.220 1.00 0.00 H new ATOM 0 HA GLN A 56 3.587 -3.601 8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.139 -2.735 8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.159 -3.025 7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.268 -5.041 8.101 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.910 -5.433 7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.000 -4.256 10.483 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.056 -5.008 11.683 1.00 0.00 H new ATOM 896 N PHE A 57 3.664 -2.974 5.667 1.00 0.00 N ATOM 897 CA PHE A 57 4.190 -3.542 4.387 1.00 0.00 C ATOM 898 C PHE A 57 5.726 -3.415 4.326 1.00 0.00 C ATOM 899 O PHE A 57 6.415 -4.354 3.998 1.00 0.00 O ATOM 900 CB PHE A 57 3.534 -2.804 3.198 1.00 0.00 C ATOM 901 CG PHE A 57 3.338 -3.758 2.027 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.430 -4.457 1.500 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.064 -3.942 1.473 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.254 -5.333 0.427 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.887 -4.820 0.397 1.00 0.00 C ATOM 906 CZ PHE A 57 2.983 -5.516 -0.127 1.00 0.00 C ATOM 0 H PHE A 57 3.307 -2.020 5.609 1.00 0.00 H new ATOM 0 HA PHE A 57 3.942 -4.602 4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.573 -2.390 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.159 -1.965 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.413 -4.318 1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.218 -3.406 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.100 -5.870 0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.905 -4.960 -0.029 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.847 -6.193 -0.957 1.00 0.00 H new ATOM 916 N GLU A 58 6.269 -2.268 4.620 1.00 0.00 N ATOM 917 CA GLU A 58 7.757 -2.111 4.552 1.00 0.00 C ATOM 918 C GLU A 58 8.461 -3.265 5.280 1.00 0.00 C ATOM 919 O GLU A 58 9.549 -3.666 4.908 1.00 0.00 O ATOM 920 CB GLU A 58 8.166 -0.777 5.190 1.00 0.00 C ATOM 921 CG GLU A 58 9.684 -0.577 5.063 1.00 0.00 C ATOM 922 CD GLU A 58 10.412 -1.364 6.158 1.00 0.00 C ATOM 923 OE1 GLU A 58 9.911 -1.396 7.270 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.458 -1.919 5.864 1.00 0.00 O ATOM 0 H GLU A 58 5.755 -1.434 4.903 1.00 0.00 H new ATOM 0 HA GLU A 58 8.058 -2.126 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.641 0.045 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.876 -0.763 6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.021 -0.908 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.927 0.483 5.143 1.00 0.00 H new ATOM 931 N LYS A 59 7.870 -3.795 6.316 1.00 0.00 N ATOM 932 CA LYS A 59 8.538 -4.905 7.064 1.00 0.00 C ATOM 933 C LYS A 59 8.520 -6.194 6.250 1.00 0.00 C ATOM 934 O LYS A 59 9.038 -7.204 6.684 1.00 0.00 O ATOM 935 CB LYS A 59 7.796 -5.165 8.375 1.00 0.00 C ATOM 936 CG LYS A 59 7.912 -3.946 9.297 1.00 0.00 C ATOM 937 CD LYS A 59 9.386 -3.722 9.702 1.00 0.00 C ATOM 938 CE LYS A 59 9.459 -3.117 11.105 1.00 0.00 C ATOM 939 NZ LYS A 59 8.699 -1.836 11.136 1.00 0.00 N ATOM 0 H LYS A 59 6.959 -3.512 6.677 1.00 0.00 H new ATOM 0 HA LYS A 59 9.568 -4.606 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.747 -5.378 8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.210 -6.044 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.528 -3.060 8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.301 -4.095 10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.926 -4.668 9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.871 -3.059 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.047 -3.814 11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.498 -2.942 11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.913 -1.327 12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.973 -1.250 10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.679 -2.036 11.091 1.00 0.00 H new ATOM 953 N ILE A 60 7.924 -6.185 5.084 1.00 0.00 N ATOM 954 CA ILE A 60 7.872 -7.431 4.257 1.00 0.00 C ATOM 955 C ILE A 60 8.243 -7.133 2.801 1.00 0.00 C ATOM 956 O ILE A 60 7.721 -7.738 1.895 1.00 0.00 O ATOM 957 CB ILE A 60 6.464 -8.036 4.313 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.422 -6.947 4.070 1.00 0.00 C ATOM 959 CG2 ILE A 60 6.228 -8.660 5.690 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.041 -7.586 3.915 1.00 0.00 C ATOM 0 H ILE A 60 7.472 -5.370 4.669 1.00 0.00 H new ATOM 0 HA ILE A 60 8.592 -8.142 4.663 1.00 0.00 H new ATOM 0 HB ILE A 60 6.375 -8.802 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.417 -6.242 4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.675 -6.381 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.227 -9.089 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.966 -9.443 5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.323 -7.893 6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.298 -6.808 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.051 -8.273 3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.789 -8.133 4.824 1.00 0.00 H new ATOM 972 N ILE A 61 9.138 -6.211 2.552 1.00 0.00 N ATOM 973 CA ILE A 61 9.511 -5.919 1.126 1.00 0.00 C ATOM 974 C ILE A 61 10.606 -6.894 0.655 1.00 0.00 C ATOM 975 O ILE A 61 10.463 -7.553 -0.355 1.00 0.00 O ATOM 976 CB ILE A 61 9.993 -4.460 0.983 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.581 -4.227 -0.422 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.063 -4.141 2.030 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.598 -4.702 -1.499 1.00 0.00 C ATOM 0 H ILE A 61 9.621 -5.654 3.257 1.00 0.00 H new ATOM 0 HA ILE A 61 8.629 -6.053 0.500 1.00 0.00 H new ATOM 0 HB ILE A 61 9.135 -3.805 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.799 -3.168 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.525 -4.762 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.390 -3.108 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.648 -4.279 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.914 -4.809 1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.028 -4.530 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.402 -5.766 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.664 -4.147 -1.409 1.00 0.00 H new ATOM 991 N ASP A 62 11.697 -6.991 1.366 1.00 0.00 N ATOM 992 CA ASP A 62 12.789 -7.919 0.934 1.00 0.00 C ATOM 993 C ASP A 62 12.462 -9.358 1.348 1.00 0.00 C ATOM 994 O ASP A 62 13.198 -10.279 1.057 1.00 0.00 O ATOM 995 CB ASP A 62 14.104 -7.491 1.589 1.00 0.00 C ATOM 996 CG ASP A 62 15.263 -8.277 0.971 1.00 0.00 C ATOM 997 OD1 ASP A 62 15.744 -7.863 -0.071 1.00 0.00 O ATOM 998 OD2 ASP A 62 15.650 -9.278 1.551 1.00 0.00 O ATOM 0 H ASP A 62 11.882 -6.471 2.224 1.00 0.00 H new ATOM 0 HA ASP A 62 12.881 -7.876 -0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.261 -6.421 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.062 -7.669 2.664 1.00 0.00 H new ATOM 1003 N THR A 63 11.369 -9.557 2.030 1.00 0.00 N ATOM 1004 CA THR A 63 10.993 -10.934 2.475 1.00 0.00 C ATOM 1005 C THR A 63 10.194 -11.628 1.367 1.00 0.00 C ATOM 1006 O THR A 63 10.044 -12.833 1.360 1.00 0.00 O ATOM 1007 CB THR A 63 10.159 -10.807 3.769 1.00 0.00 C ATOM 1008 OG1 THR A 63 10.972 -11.147 4.882 1.00 0.00 O ATOM 1009 CG2 THR A 63 8.915 -11.712 3.762 1.00 0.00 C ATOM 0 H THR A 63 10.715 -8.823 2.301 1.00 0.00 H new ATOM 0 HA THR A 63 11.879 -11.536 2.675 1.00 0.00 H new ATOM 0 HB THR A 63 9.814 -9.775 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.448 -11.066 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.366 -11.583 4.695 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.274 -11.442 2.923 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.223 -12.753 3.663 1.00 0.00 H new ATOM 1017 N LEU A 64 9.664 -10.879 0.446 1.00 0.00 N ATOM 1018 CA LEU A 64 8.859 -11.509 -0.634 1.00 0.00 C ATOM 1019 C LEU A 64 9.803 -12.199 -1.626 1.00 0.00 C ATOM 1020 O LEU A 64 10.004 -13.396 -1.576 1.00 0.00 O ATOM 1021 CB LEU A 64 8.013 -10.447 -1.371 1.00 0.00 C ATOM 1022 CG LEU A 64 7.628 -9.281 -0.443 1.00 0.00 C ATOM 1023 CD1 LEU A 64 6.936 -8.200 -1.271 1.00 0.00 C ATOM 1024 CD2 LEU A 64 6.678 -9.762 0.674 1.00 0.00 C ATOM 0 H LEU A 64 9.752 -9.864 0.393 1.00 0.00 H new ATOM 0 HA LEU A 64 8.183 -12.242 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.573 -10.064 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.109 -10.911 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 64 8.530 -8.883 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.658 -7.368 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.615 -7.846 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.040 -8.614 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.419 -8.922 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.771 -10.171 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.172 -10.533 1.265 1.00 0.00 H new