USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 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 Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -31:sc= 0.15 USER MOD Single : A 20 MET CE :methyl -173:sc= -3.31! (180deg=-3.55!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 49:sc= -16.7! USER MOD Single : A 46 THR OG1 : rot 95:sc= 1.21 USER MOD Single : A 55 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.063 USER MOD Single : A 60 MET CE :methyl -130:sc= -25.5! (180deg=-30.5!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 171:sc= 1.26 USER MOD Single : A 68 MET CE :methyl -138:sc= 0 (180deg=-0.141) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -1.985 -19.756 -8.578 1.00 0.00 N ATOM 2 CA ALA A 2 -2.498 -18.721 -7.697 1.00 0.00 C ATOM 3 C ALA A 2 -3.945 -19.046 -7.324 1.00 0.00 C ATOM 4 O ALA A 2 -4.781 -18.147 -7.224 1.00 0.00 O ATOM 5 CB ALA A 2 -2.363 -17.358 -8.379 1.00 0.00 C ATOM 0 HA ALA A 2 -1.921 -18.682 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.748 -16.581 -7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.313 -17.162 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.932 -17.358 -9.309 1.00 0.00 H new ATOM 6 N GLN A 3 -4.199 -20.332 -7.131 1.00 0.00 N ATOM 7 CA GLN A 3 -5.533 -20.785 -6.773 1.00 0.00 C ATOM 8 C GLN A 3 -5.459 -21.794 -5.626 1.00 0.00 C ATOM 9 O GLN A 3 -5.617 -22.996 -5.839 1.00 0.00 O ATOM 10 CB GLN A 3 -6.252 -21.382 -7.984 1.00 0.00 C ATOM 11 CG GLN A 3 -6.730 -20.283 -8.934 1.00 0.00 C ATOM 12 CD GLN A 3 -7.106 -20.864 -10.299 1.00 0.00 C ATOM 13 OE1 GLN A 3 -8.248 -21.199 -10.567 1.00 0.00 O ATOM 14 NE2 GLN A 3 -6.084 -20.964 -11.144 1.00 0.00 N ATOM 0 H GLN A 3 -3.504 -21.074 -7.216 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.111 -19.924 -6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.581 -22.058 -8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.104 -21.975 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.591 -19.773 -8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.945 -19.536 -9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.153 -20.665 -10.855 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.232 -21.340 -12.081 1.00 0.00 H new ATOM 15 N ILE A 4 -5.217 -21.270 -4.433 1.00 0.00 N ATOM 16 CA ILE A 4 -5.120 -22.110 -3.251 1.00 0.00 C ATOM 17 C ILE A 4 -6.507 -22.261 -2.623 1.00 0.00 C ATOM 18 O ILE A 4 -6.921 -21.430 -1.817 1.00 0.00 O ATOM 19 CB ILE A 4 -4.066 -21.559 -2.288 1.00 0.00 C ATOM 20 CG1 ILE A 4 -2.740 -21.312 -3.008 1.00 0.00 C ATOM 21 CG2 ILE A 4 -3.899 -22.477 -1.075 1.00 0.00 C ATOM 22 CD1 ILE A 4 -2.246 -22.583 -3.701 1.00 0.00 C ATOM 0 H ILE A 4 -5.085 -20.274 -4.260 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.781 -23.110 -3.521 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.413 -20.595 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.864 -20.518 -3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.992 -20.970 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.144 -22.063 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.848 -22.557 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.585 -23.466 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.301 -22.379 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.099 -23.368 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.985 -22.909 -4.433 1.00 0.00 H new ATOM 23 N THR A 5 -7.186 -23.329 -3.016 1.00 0.00 N ATOM 24 CA THR A 5 -8.517 -23.602 -2.502 1.00 0.00 C ATOM 25 C THR A 5 -8.432 -24.372 -1.182 1.00 0.00 C ATOM 26 O THR A 5 -9.425 -24.493 -0.467 1.00 0.00 O ATOM 27 CB THR A 5 -9.302 -24.340 -3.588 1.00 0.00 C ATOM 28 OG1 THR A 5 -10.649 -24.305 -3.127 1.00 0.00 O ATOM 29 CG2 THR A 5 -8.963 -25.831 -3.643 1.00 0.00 C ATOM 0 H THR A 5 -6.839 -24.016 -3.685 1.00 0.00 H new ATOM 0 HA THR A 5 -9.048 -22.679 -2.269 1.00 0.00 H new ATOM 0 HB THR A 5 -9.097 -23.886 -4.557 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.660 -24.307 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.547 -26.308 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.901 -25.955 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.199 -26.293 -2.685 1.00 0.00 H new ATOM 30 N GLY A 6 -7.238 -24.870 -0.902 1.00 0.00 N ATOM 31 CA GLY A 6 -7.011 -25.626 0.319 1.00 0.00 C ATOM 32 C GLY A 6 -7.011 -24.705 1.541 1.00 0.00 C ATOM 33 O GLY A 6 -8.065 -24.241 1.972 1.00 0.00 O ATOM 0 H GLY A 6 -6.417 -24.766 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.786 -26.385 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.058 -26.151 0.254 1.00 0.00 H new ATOM 34 N ARG A 7 -5.817 -24.468 2.064 1.00 0.00 N ATOM 35 CA ARG A 7 -5.666 -23.613 3.229 1.00 0.00 C ATOM 36 C ARG A 7 -6.115 -22.186 2.900 1.00 0.00 C ATOM 37 O ARG A 7 -6.107 -21.782 1.739 1.00 0.00 O ATOM 38 CB ARG A 7 -4.213 -23.585 3.708 1.00 0.00 C ATOM 39 CG ARG A 7 -3.309 -22.904 2.678 1.00 0.00 C ATOM 40 CD ARG A 7 -1.834 -23.089 3.037 1.00 0.00 C ATOM 41 NE ARG A 7 -0.983 -22.365 2.067 1.00 0.00 N ATOM 42 CZ ARG A 7 -0.686 -22.817 0.841 1.00 0.00 C ATOM 43 NH1 ARG A 7 -1.172 -23.997 0.427 1.00 0.00 N ATOM 44 NH2 ARG A 7 0.093 -22.092 0.028 1.00 0.00 N ATOM 0 H ARG A 7 -4.945 -24.853 1.702 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.290 -24.021 4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.150 -23.056 4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.865 -24.603 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.501 -23.320 1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.544 -21.841 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.647 -22.718 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.581 -24.149 3.035 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.598 -21.464 2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.767 -24.549 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.947 -24.342 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.461 -21.194 0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.318 -22.438 -0.905 1.00 0.00 H new ATOM 45 N PRO A 8 -6.505 -21.446 3.971 1.00 0.00 N ATOM 46 CA PRO A 8 -6.955 -20.074 3.808 1.00 0.00 C ATOM 47 C PRO A 8 -5.855 -19.085 4.199 1.00 0.00 C ATOM 48 O PRO A 8 -6.095 -17.882 4.277 1.00 0.00 O ATOM 49 CB PRO A 8 -8.194 -19.960 4.683 1.00 0.00 C ATOM 50 CG PRO A 8 -8.089 -21.084 5.700 1.00 0.00 C ATOM 51 CD PRO A 8 -6.836 -21.885 5.386 1.00 0.00 C ATOM 0 HA PRO A 8 -7.190 -19.829 2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.236 -18.989 5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.103 -20.055 4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.040 -20.680 6.711 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.971 -21.723 5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.026 -21.659 6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.016 -22.958 5.445 1.00 0.00 H new ATOM 52 N GLU A 9 -4.670 -19.630 4.436 1.00 0.00 N ATOM 53 CA GLU A 9 -3.532 -18.811 4.816 1.00 0.00 C ATOM 54 C GLU A 9 -3.048 -17.988 3.622 1.00 0.00 C ATOM 55 O GLU A 9 -2.743 -16.805 3.761 1.00 0.00 O ATOM 56 CB GLU A 9 -2.401 -19.674 5.384 1.00 0.00 C ATOM 57 CG GLU A 9 -2.824 -20.333 6.698 1.00 0.00 C ATOM 58 CD GLU A 9 -1.702 -21.211 7.255 1.00 0.00 C ATOM 59 OE1 GLU A 9 -0.854 -20.726 8.018 1.00 0.00 O ATOM 60 OE2 GLU A 9 -1.641 -22.411 6.944 1.00 0.00 O ATOM 0 H GLU A 9 -4.474 -20.629 4.372 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.849 -18.124 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.125 -20.441 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.517 -19.059 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.086 -19.566 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.717 -20.937 6.536 1.00 0.00 H new ATOM 61 N TRP A 10 -2.990 -18.647 2.473 1.00 0.00 N ATOM 62 CA TRP A 10 -2.547 -17.991 1.255 1.00 0.00 C ATOM 63 C TRP A 10 -3.627 -16.991 0.837 1.00 0.00 C ATOM 64 O TRP A 10 -3.324 -15.952 0.251 1.00 0.00 O ATOM 65 CB TRP A 10 -2.226 -19.015 0.166 1.00 0.00 C ATOM 66 CG TRP A 10 -1.697 -18.401 -1.132 1.00 0.00 C ATOM 67 CD1 TRP A 10 -0.421 -18.232 -1.504 1.00 0.00 C ATOM 68 CD2 TRP A 10 -2.442 -17.874 -2.221 1.00 0.00 C ATOM 69 NE1 TRP A 10 -0.331 -17.639 -2.747 1.00 0.00 N ATOM 70 CE2 TRP A 10 -1.626 -17.415 -3.196 1.00 0.00 C ATOM 71 CE3 TRP A 10 -3.842 -17.795 -2.367 1.00 0.00 C ATOM 72 CZ2 TRP A 10 -2.065 -16.840 -4.394 1.00 0.00 C ATOM 73 CZ3 TRP A 10 -4.281 -17.219 -3.565 1.00 0.00 C ATOM 74 CH2 TRP A 10 -3.441 -16.747 -4.568 1.00 0.00 C ATOM 0 H TRP A 10 -3.243 -19.629 2.361 1.00 0.00 H new ATOM 0 HA TRP A 10 -1.617 -17.448 1.426 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.487 -19.719 0.550 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.126 -19.588 -0.056 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.430 -18.523 -0.906 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.529 -17.408 -3.245 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.525 -18.152 -1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -1.372 -16.487 -5.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.346 -17.135 -3.721 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.852 -16.315 -5.469 1.00 0.00 H new ATOM 75 N ILE A 11 -4.865 -17.340 1.153 1.00 0.00 N ATOM 76 CA ILE A 11 -5.993 -16.486 0.818 1.00 0.00 C ATOM 77 C ILE A 11 -5.955 -15.232 1.692 1.00 0.00 C ATOM 78 O ILE A 11 -6.266 -14.137 1.226 1.00 0.00 O ATOM 79 CB ILE A 11 -7.305 -17.267 0.921 1.00 0.00 C ATOM 80 CG1 ILE A 11 -7.329 -18.433 -0.070 1.00 0.00 C ATOM 81 CG2 ILE A 11 -8.510 -16.340 0.745 1.00 0.00 C ATOM 82 CD1 ILE A 11 -7.705 -17.953 -1.473 1.00 0.00 C ATOM 0 H ILE A 11 -5.113 -18.203 1.638 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.925 -16.155 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.370 -17.694 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.351 -18.913 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.044 -19.185 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.430 -16.920 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.497 -15.575 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.463 -15.864 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.715 -18.801 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.694 -17.496 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.975 -17.220 -1.815 1.00 0.00 H new ATOM 83 N TRP A 12 -5.570 -15.433 2.944 1.00 0.00 N ATOM 84 CA TRP A 12 -5.486 -14.330 3.887 1.00 0.00 C ATOM 85 C TRP A 12 -4.336 -13.421 3.452 1.00 0.00 C ATOM 86 O TRP A 12 -4.417 -12.202 3.590 1.00 0.00 O ATOM 87 CB TRP A 12 -5.333 -14.845 5.320 1.00 0.00 C ATOM 88 CG TRP A 12 -5.023 -13.753 6.344 1.00 0.00 C ATOM 89 CD1 TRP A 12 -5.889 -13.033 7.072 1.00 0.00 C ATOM 90 CD2 TRP A 12 -3.751 -13.261 6.746 1.00 0.00 C ATOM 91 NE1 TRP A 12 -5.237 -12.136 7.892 1.00 0.00 N ATOM 92 CE2 TRP A 12 -3.872 -12.291 7.677 1.00 0.00 C ATOM 93 CE3 TRP A 12 -2.476 -13.664 6.298 1.00 0.00 C ATOM 94 CZ2 TRP A 12 -2.797 -11.614 8.266 1.00 0.00 C ATOM 95 CZ3 TRP A 12 -1.401 -12.989 6.888 1.00 0.00 C ATOM 96 CH2 TRP A 12 -1.526 -11.988 7.845 1.00 0.00 C ATOM 0 H TRP A 12 -5.313 -16.343 3.327 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.408 -13.749 3.883 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.252 -15.353 5.613 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.536 -15.589 5.345 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -6.962 -13.142 7.022 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.676 -11.479 8.538 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.339 -14.436 5.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.947 -10.843 9.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.404 -13.265 6.578 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.649 -11.509 8.255 1.00 0.00 H new ATOM 97 N LEU A 13 -3.290 -14.049 2.935 1.00 0.00 N ATOM 98 CA LEU A 13 -2.124 -13.313 2.478 1.00 0.00 C ATOM 99 C LEU A 13 -2.502 -12.475 1.256 1.00 0.00 C ATOM 100 O LEU A 13 -2.161 -11.297 1.176 1.00 0.00 O ATOM 101 CB LEU A 13 -0.952 -14.264 2.233 1.00 0.00 C ATOM 102 CG LEU A 13 0.369 -13.602 2.631 1.00 0.00 C ATOM 103 CD1 LEU A 13 1.523 -14.605 2.584 1.00 0.00 C ATOM 104 CD2 LEU A 13 0.645 -12.368 1.770 1.00 0.00 C ATOM 0 H LEU A 13 -3.226 -15.061 2.823 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.786 -12.620 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.094 -15.180 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.921 -14.548 1.181 1.00 0.00 H new ATOM 0 HG LEU A 13 0.282 -13.262 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.449 -14.108 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.322 -15.424 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.622 -14.999 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.590 -11.916 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.703 -12.661 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.161 -11.646 1.900 1.00 0.00 H new ATOM 105 N ALA A 14 -3.202 -13.118 0.331 1.00 0.00 N ATOM 106 CA ALA A 14 -3.631 -12.447 -0.885 1.00 0.00 C ATOM 107 C ALA A 14 -4.562 -11.290 -0.522 1.00 0.00 C ATOM 108 O ALA A 14 -4.500 -10.222 -1.131 1.00 0.00 O ATOM 109 CB ALA A 14 -4.295 -13.459 -1.820 1.00 0.00 C ATOM 0 H ALA A 14 -3.482 -14.096 0.400 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.775 -12.028 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.617 -12.956 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.582 -14.244 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.160 -13.899 -1.324 1.00 0.00 H new ATOM 110 N LEU A 15 -5.406 -11.539 0.470 1.00 0.00 N ATOM 111 CA LEU A 15 -6.350 -10.531 0.922 1.00 0.00 C ATOM 112 C LEU A 15 -5.582 -9.356 1.531 1.00 0.00 C ATOM 113 O LEU A 15 -5.940 -8.198 1.318 1.00 0.00 O ATOM 114 CB LEU A 15 -7.381 -11.148 1.868 1.00 0.00 C ATOM 115 CG LEU A 15 -8.432 -10.110 2.266 1.00 0.00 C ATOM 116 CD1 LEU A 15 -9.843 -10.684 2.144 1.00 0.00 C ATOM 117 CD2 LEU A 15 -8.155 -9.559 3.666 1.00 0.00 C ATOM 0 H LEU A 15 -5.455 -12.425 0.973 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.920 -10.138 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.865 -11.997 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.883 -11.530 2.759 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.365 -9.272 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.571 -9.926 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.025 -10.987 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.942 -11.549 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.916 -8.823 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.178 -10.374 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.173 -9.086 3.683 1.00 0.00 H new ATOM 118 N GLY A 16 -4.541 -9.695 2.277 1.00 0.00 N ATOM 119 CA GLY A 16 -3.720 -8.682 2.920 1.00 0.00 C ATOM 120 C GLY A 16 -3.004 -7.817 1.880 1.00 0.00 C ATOM 121 O GLY A 16 -2.921 -6.600 2.031 1.00 0.00 O ATOM 0 H GLY A 16 -4.247 -10.656 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.343 -8.053 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.986 -9.161 3.568 1.00 0.00 H new ATOM 122 N THR A 17 -2.502 -8.481 0.848 1.00 0.00 N ATOM 123 CA THR A 17 -1.795 -7.788 -0.215 1.00 0.00 C ATOM 124 C THR A 17 -2.757 -6.895 -1.002 1.00 0.00 C ATOM 125 O THR A 17 -2.387 -5.801 -1.425 1.00 0.00 O ATOM 126 CB THR A 17 -1.097 -8.839 -1.081 1.00 0.00 C ATOM 127 OG1 THR A 17 -0.337 -9.607 -0.152 1.00 0.00 O ATOM 128 CG2 THR A 17 -0.045 -8.228 -2.009 1.00 0.00 C ATOM 0 H THR A 17 -2.571 -9.491 0.726 1.00 0.00 H new ATOM 0 HA THR A 17 -1.035 -7.118 0.187 1.00 0.00 H new ATOM 0 HB THR A 17 -1.840 -9.371 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.420 -9.016 -2.601 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.521 -7.508 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.717 -7.724 -1.414 1.00 0.00 H new ATOM 129 N ALA A 18 -3.973 -7.394 -1.172 1.00 0.00 N ATOM 130 CA ALA A 18 -4.990 -6.655 -1.899 1.00 0.00 C ATOM 131 C ALA A 18 -5.414 -5.436 -1.077 1.00 0.00 C ATOM 132 O ALA A 18 -5.668 -4.367 -1.630 1.00 0.00 O ATOM 133 CB ALA A 18 -6.165 -7.581 -2.216 1.00 0.00 C ATOM 0 H ALA A 18 -4.276 -8.301 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.596 -6.292 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.928 -7.026 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.817 -8.415 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.588 -7.963 -1.287 1.00 0.00 H new ATOM 134 N LEU A 19 -5.478 -5.638 0.232 1.00 0.00 N ATOM 135 CA LEU A 19 -5.868 -4.569 1.135 1.00 0.00 C ATOM 136 C LEU A 19 -4.806 -3.467 1.102 1.00 0.00 C ATOM 137 O LEU A 19 -5.135 -2.287 1.003 1.00 0.00 O ATOM 138 CB LEU A 19 -6.134 -5.123 2.537 1.00 0.00 C ATOM 139 CG LEU A 19 -6.489 -3.990 3.502 1.00 0.00 C ATOM 140 CD1 LEU A 19 -7.823 -3.344 3.122 1.00 0.00 C ATOM 141 CD2 LEU A 19 -6.480 -4.480 4.951 1.00 0.00 C ATOM 0 H LEU A 19 -5.266 -6.526 0.688 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.806 -4.119 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.949 -5.846 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.253 -5.654 2.898 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.723 -3.219 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.052 -2.542 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.755 -2.936 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.613 -4.094 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.736 -3.655 5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.210 -5.281 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.488 -4.854 5.202 1.00 0.00 H new ATOM 142 N MET A 20 -3.554 -3.893 1.188 1.00 0.00 N ATOM 143 CA MET A 20 -2.442 -2.958 1.169 1.00 0.00 C ATOM 144 C MET A 20 -2.389 -2.195 -0.157 1.00 0.00 C ATOM 145 O MET A 20 -2.176 -0.985 -0.173 1.00 0.00 O ATOM 146 CB MET A 20 -1.131 -3.718 1.373 1.00 0.00 C ATOM 147 CG MET A 20 -0.965 -4.144 2.834 1.00 0.00 C ATOM 148 SD MET A 20 0.315 -5.379 2.967 1.00 0.00 S ATOM 149 CE MET A 20 1.762 -4.336 2.886 1.00 0.00 C ATOM 0 H MET A 20 -3.285 -4.873 1.271 1.00 0.00 H new ATOM 0 HA MET A 20 -2.584 -2.239 1.975 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.113 -4.598 0.730 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.292 -3.089 1.076 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.712 -3.279 3.447 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.906 -4.541 3.215 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.656 -4.957 2.830 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.705 -3.702 2.001 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.810 -3.711 3.777 1.00 0.00 H new ATOM 150 N GLY A 21 -2.587 -2.937 -1.237 1.00 0.00 N ATOM 151 CA GLY A 21 -2.565 -2.347 -2.565 1.00 0.00 C ATOM 152 C GLY A 21 -3.677 -1.307 -2.722 1.00 0.00 C ATOM 153 O GLY A 21 -3.453 -0.230 -3.272 1.00 0.00 O ATOM 0 H GLY A 21 -2.763 -3.941 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.597 -1.879 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.684 -3.128 -3.316 1.00 0.00 H new ATOM 154 N LEU A 22 -4.853 -1.668 -2.229 1.00 0.00 N ATOM 155 CA LEU A 22 -6.001 -0.781 -2.307 1.00 0.00 C ATOM 156 C LEU A 22 -5.718 0.486 -1.495 1.00 0.00 C ATOM 157 O LEU A 22 -6.026 1.591 -1.937 1.00 0.00 O ATOM 158 CB LEU A 22 -7.274 -1.512 -1.879 1.00 0.00 C ATOM 159 CG LEU A 22 -8.497 -0.607 -2.049 1.00 0.00 C ATOM 160 CD1 LEU A 22 -9.633 -1.347 -2.756 1.00 0.00 C ATOM 161 CD2 LEU A 22 -8.937 -0.023 -0.706 1.00 0.00 C ATOM 0 H LEU A 22 -5.035 -2.563 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.171 -0.469 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.398 -2.416 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.188 -1.825 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.217 0.232 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.489 -0.681 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.299 -1.671 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.922 -2.217 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.807 0.616 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.194 -0.833 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.124 0.565 -0.281 1.00 0.00 H new ATOM 162 N GLY A 23 -5.133 0.281 -0.325 1.00 0.00 N ATOM 163 CA GLY A 23 -4.805 1.393 0.551 1.00 0.00 C ATOM 164 C GLY A 23 -3.844 2.367 -0.134 1.00 0.00 C ATOM 165 O GLY A 23 -4.026 3.580 -0.054 1.00 0.00 O ATOM 0 H GLY A 23 -4.878 -0.638 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.717 1.917 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.354 1.016 1.469 1.00 0.00 H new ATOM 166 N THR A 24 -2.845 1.798 -0.791 1.00 0.00 N ATOM 167 CA THR A 24 -1.856 2.602 -1.490 1.00 0.00 C ATOM 168 C THR A 24 -2.511 3.374 -2.638 1.00 0.00 C ATOM 169 O THR A 24 -2.159 4.524 -2.897 1.00 0.00 O ATOM 170 CB THR A 24 -0.730 1.672 -1.946 1.00 0.00 C ATOM 171 OG1 THR A 24 -0.332 0.999 -0.756 1.00 0.00 O ATOM 172 CG2 THR A 24 0.522 2.439 -2.379 1.00 0.00 C ATOM 0 H THR A 24 -2.698 0.791 -0.855 1.00 0.00 H new ATOM 0 HA THR A 24 -1.426 3.360 -0.835 1.00 0.00 H new ATOM 0 HB THR A 24 -1.081 1.054 -2.772 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.291 1.733 -2.693 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.275 3.100 -3.210 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.893 3.031 -1.543 1.00 0.00 H new ATOM 173 N LEU A 25 -3.451 2.710 -3.294 1.00 0.00 N ATOM 174 CA LEU A 25 -4.158 3.319 -4.406 1.00 0.00 C ATOM 175 C LEU A 25 -4.946 4.530 -3.904 1.00 0.00 C ATOM 176 O LEU A 25 -4.925 5.592 -4.528 1.00 0.00 O ATOM 177 CB LEU A 25 -5.023 2.281 -5.126 1.00 0.00 C ATOM 178 CG LEU A 25 -5.011 2.527 -6.636 1.00 0.00 C ATOM 179 CD1 LEU A 25 -5.711 1.390 -7.382 1.00 0.00 C ATOM 180 CD2 LEU A 25 -5.613 3.893 -6.974 1.00 0.00 C ATOM 0 H LEU A 25 -3.739 1.756 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.450 3.684 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.652 1.279 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.046 2.329 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.974 2.541 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.688 1.590 -8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.198 0.450 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.746 1.319 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.592 4.043 -8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.644 3.934 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.032 4.677 -6.488 1.00 0.00 H new ATOM 181 N TYR A 26 -5.622 4.333 -2.781 1.00 0.00 N ATOM 182 CA TYR A 26 -6.413 5.396 -2.188 1.00 0.00 C ATOM 183 C TYR A 26 -5.524 6.559 -1.742 1.00 0.00 C ATOM 184 O TYR A 26 -5.898 7.722 -1.883 1.00 0.00 O ATOM 185 CB TYR A 26 -7.087 4.785 -0.958 1.00 0.00 C ATOM 186 CG TYR A 26 -8.557 5.176 -0.795 1.00 0.00 C ATOM 187 CD1 TYR A 26 -8.965 6.542 -0.997 1.00 0.00 C ATOM 188 CD2 TYR A 26 -9.478 4.234 -0.458 1.00 0.00 C ATOM 189 CE1 TYR A 26 -10.272 6.890 -0.851 1.00 0.00 C ATOM 190 CE2 TYR A 26 -10.861 4.601 -0.305 1.00 0.00 C ATOM 191 CZ TYR A 26 -11.246 5.892 -0.495 1.00 0.00 C ATOM 192 OH TYR A 26 -12.554 6.239 -0.350 1.00 0.00 O ATOM 0 H TYR A 26 -5.638 3.452 -2.267 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.132 5.786 -2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.015 3.699 -1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.539 5.091 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.234 7.290 -1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -9.171 3.210 -0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.579 7.914 -1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.593 3.852 -0.040 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.078 5.447 -0.109 1.00 0.00 H new ATOM 193 N PHE A 27 -4.363 6.204 -1.211 1.00 0.00 N ATOM 194 CA PHE A 27 -3.418 7.204 -0.743 1.00 0.00 C ATOM 195 C PHE A 27 -2.904 8.058 -1.904 1.00 0.00 C ATOM 196 O PHE A 27 -2.688 9.259 -1.747 1.00 0.00 O ATOM 197 CB PHE A 27 -2.240 6.449 -0.121 1.00 0.00 C ATOM 198 CG PHE A 27 -1.129 7.358 0.409 1.00 0.00 C ATOM 199 CD1 PHE A 27 -1.254 7.961 1.688 1.00 0.00 C ATOM 200 CD2 PHE A 27 -0.021 7.588 -0.346 1.00 0.00 C ATOM 201 CE1 PHE A 27 -0.268 8.768 2.160 1.00 0.00 C ATOM 202 CE2 PHE A 27 1.010 8.431 0.147 1.00 0.00 C ATOM 203 CZ PHE A 27 0.890 9.009 1.373 1.00 0.00 C ATOM 0 H PHE A 27 -4.055 5.238 -1.095 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.902 7.867 -0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.609 5.829 0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.819 5.775 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.134 7.778 2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.074 7.130 -1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.365 9.226 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.890 8.614 -0.452 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.674 9.650 1.747 1.00 0.00 H new ATOM 204 N LEU A 28 -2.721 7.406 -3.042 1.00 0.00 N ATOM 205 CA LEU A 28 -2.238 8.091 -4.229 1.00 0.00 C ATOM 206 C LEU A 28 -3.319 9.046 -4.738 1.00 0.00 C ATOM 207 O LEU A 28 -3.018 10.162 -5.158 1.00 0.00 O ATOM 208 CB LEU A 28 -1.767 7.080 -5.276 1.00 0.00 C ATOM 209 CG LEU A 28 -0.453 6.430 -4.842 1.00 0.00 C ATOM 210 CD1 LEU A 28 -0.271 5.064 -5.508 1.00 0.00 C ATOM 211 CD2 LEU A 28 0.732 7.360 -5.108 1.00 0.00 C ATOM 0 H LEU A 28 -2.899 6.409 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.365 8.698 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.529 6.314 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.633 7.578 -6.236 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.494 6.261 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.671 4.623 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.095 4.409 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.259 5.186 -6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.654 6.874 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.788 7.583 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.600 8.287 -4.550 1.00 0.00 H new ATOM 212 N VAL A 29 -4.555 8.573 -4.684 1.00 0.00 N ATOM 213 CA VAL A 29 -5.682 9.370 -5.135 1.00 0.00 C ATOM 214 C VAL A 29 -5.805 10.616 -4.255 1.00 0.00 C ATOM 215 O VAL A 29 -6.109 11.701 -4.747 1.00 0.00 O ATOM 216 CB VAL A 29 -6.954 8.520 -5.146 1.00 0.00 C ATOM 217 CG1 VAL A 29 -8.203 9.400 -5.220 1.00 0.00 C ATOM 218 CG2 VAL A 29 -6.927 7.509 -6.296 1.00 0.00 C ATOM 0 H VAL A 29 -4.801 7.647 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.524 9.708 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.992 7.964 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.092 8.770 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.234 10.062 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.174 9.996 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.842 6.917 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.853 8.040 -7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.067 6.850 -6.181 1.00 0.00 H new ATOM 219 N LYS A 30 -5.561 10.417 -2.968 1.00 0.00 N ATOM 220 CA LYS A 30 -5.639 11.511 -2.013 1.00 0.00 C ATOM 221 C LYS A 30 -4.474 12.473 -2.250 1.00 0.00 C ATOM 222 O LYS A 30 -4.633 13.688 -2.136 1.00 0.00 O ATOM 223 CB LYS A 30 -5.709 10.972 -0.584 1.00 0.00 C ATOM 224 CG LYS A 30 -7.100 10.411 -0.277 1.00 0.00 C ATOM 225 CD LYS A 30 -7.116 9.692 1.072 1.00 0.00 C ATOM 226 CE LYS A 30 -8.544 9.327 1.483 1.00 0.00 C ATOM 227 NZ LYS A 30 -9.209 10.483 2.125 1.00 0.00 N ATOM 0 H LYS A 30 -5.309 9.515 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.558 12.079 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.960 10.192 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.470 11.768 0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.829 11.221 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.399 9.720 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.509 8.789 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.667 10.330 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.112 9.013 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.526 8.482 2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.177 10.219 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.675 10.764 2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.243 11.279 1.457 1.00 0.00 H new ATOM 228 N GLY A 31 -3.327 11.895 -2.575 1.00 0.00 N ATOM 229 CA GLY A 31 -2.135 12.685 -2.828 1.00 0.00 C ATOM 230 C GLY A 31 -2.340 13.620 -4.022 1.00 0.00 C ATOM 231 O GLY A 31 -2.006 14.802 -3.954 1.00 0.00 O ATOM 0 H GLY A 31 -3.198 10.888 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.887 13.270 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.290 12.024 -3.020 1.00 0.00 H new ATOM 232 N MET A 32 -2.889 13.056 -5.087 1.00 0.00 N ATOM 233 CA MET A 32 -3.144 13.825 -6.294 1.00 0.00 C ATOM 234 C MET A 32 -4.353 14.745 -6.113 1.00 0.00 C ATOM 235 O MET A 32 -4.432 15.800 -6.739 1.00 0.00 O ATOM 236 CB MET A 32 -3.398 12.870 -7.463 1.00 0.00 C ATOM 237 CG MET A 32 -2.114 12.144 -7.866 1.00 0.00 C ATOM 238 SD MET A 32 -2.410 11.138 -9.311 1.00 0.00 S ATOM 239 CE MET A 32 -3.074 9.672 -8.538 1.00 0.00 C ATOM 0 H MET A 32 -3.165 12.075 -5.140 1.00 0.00 H new ATOM 0 HA MET A 32 -2.270 14.442 -6.501 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.159 12.142 -7.184 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.787 13.428 -8.315 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.326 12.868 -8.072 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.766 11.520 -7.043 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.315 8.934 -9.303 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.336 9.256 -7.853 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.978 9.930 -7.985 1.00 0.00 H new ATOM 240 N GLY A 33 -5.265 14.310 -5.256 1.00 0.00 N ATOM 241 CA GLY A 33 -6.464 15.082 -4.983 1.00 0.00 C ATOM 242 C GLY A 33 -7.568 14.750 -5.991 1.00 0.00 C ATOM 243 O GLY A 33 -7.930 15.585 -6.818 1.00 0.00 O ATOM 0 H GLY A 33 -5.197 13.432 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.814 14.873 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.234 16.147 -5.027 1.00 0.00 H new ATOM 244 N VAL A 34 -8.071 13.529 -5.889 1.00 0.00 N ATOM 245 CA VAL A 34 -9.126 13.077 -6.779 1.00 0.00 C ATOM 246 C VAL A 34 -8.638 13.166 -8.227 1.00 0.00 C ATOM 247 O VAL A 34 -8.802 14.197 -8.878 1.00 0.00 O ATOM 248 CB VAL A 34 -10.404 13.880 -6.529 1.00 0.00 C ATOM 249 CG1 VAL A 34 -11.564 13.342 -7.370 1.00 0.00 C ATOM 250 CG2 VAL A 34 -10.763 13.890 -5.041 1.00 0.00 C ATOM 0 H VAL A 34 -7.767 12.838 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.371 12.034 -6.581 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.218 14.909 -6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.460 13.931 -7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.309 13.411 -8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.750 12.300 -7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.675 14.467 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.920 12.867 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.950 14.342 -4.474 1.00 0.00 H new ATOM 251 N PRO A 37 10.334 20.821 1.387 1.00 0.00 N ATOM 252 CA PRO A 37 10.942 19.913 0.431 1.00 0.00 C ATOM 253 C PRO A 37 10.966 18.483 0.973 1.00 0.00 C ATOM 254 O PRO A 37 10.771 17.528 0.219 1.00 0.00 O ATOM 255 CB PRO A 37 12.334 20.476 0.185 1.00 0.00 C ATOM 256 CG PRO A 37 12.619 21.404 1.356 1.00 0.00 C ATOM 257 CD PRO A 37 11.308 21.660 2.080 1.00 0.00 C ATOM 0 HA PRO A 37 10.381 19.847 -0.501 1.00 0.00 H new ATOM 0 HB2 PRO A 37 13.074 19.678 0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.376 21.016 -0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.346 20.953 2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.050 22.341 1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.380 21.395 3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.029 22.713 2.034 1.00 0.00 H new ATOM 258 N ASP A 38 11.203 18.376 2.270 1.00 0.00 N ATOM 259 CA ASP A 38 11.254 17.078 2.917 1.00 0.00 C ATOM 260 C ASP A 38 9.830 16.605 3.209 1.00 0.00 C ATOM 261 O ASP A 38 9.597 15.412 3.411 1.00 0.00 O ATOM 262 CB ASP A 38 12.008 17.152 4.248 1.00 0.00 C ATOM 263 CG ASP A 38 12.183 15.817 4.971 1.00 0.00 C ATOM 264 OD1 ASP A 38 12.986 14.965 4.555 1.00 0.00 O ATOM 265 OD2 ASP A 38 11.526 15.550 5.987 1.00 0.00 O ATOM 0 H ASP A 38 11.362 19.169 2.892 1.00 0.00 H new ATOM 0 HA ASP A 38 11.770 16.389 2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.994 17.580 4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.479 17.839 4.909 1.00 0.00 H new ATOM 266 N ALA A 39 8.913 17.561 3.225 1.00 0.00 N ATOM 267 CA ALA A 39 7.517 17.255 3.491 1.00 0.00 C ATOM 268 C ALA A 39 6.951 16.435 2.331 1.00 0.00 C ATOM 269 O ALA A 39 6.124 15.547 2.536 1.00 0.00 O ATOM 270 CB ALA A 39 6.745 18.557 3.715 1.00 0.00 C ATOM 0 H ALA A 39 9.109 18.548 3.058 1.00 0.00 H new ATOM 0 HA ALA A 39 7.419 16.657 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.698 18.329 3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.169 19.090 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.817 19.181 2.824 1.00 0.00 H new ATOM 271 N LYS A 40 7.414 16.761 1.131 1.00 0.00 N ATOM 272 CA LYS A 40 6.966 16.066 -0.062 1.00 0.00 C ATOM 273 C LYS A 40 7.541 14.649 -0.069 1.00 0.00 C ATOM 274 O LYS A 40 6.875 13.707 -0.496 1.00 0.00 O ATOM 275 CB LYS A 40 7.309 16.876 -1.314 1.00 0.00 C ATOM 276 CG LYS A 40 6.474 18.154 -1.387 1.00 0.00 C ATOM 277 CD LYS A 40 6.787 18.942 -2.661 1.00 0.00 C ATOM 278 CE LYS A 40 8.054 19.779 -2.490 1.00 0.00 C ATOM 279 NZ LYS A 40 7.754 21.035 -1.761 1.00 0.00 N ATOM 0 H LYS A 40 8.097 17.500 0.961 1.00 0.00 H new ATOM 0 HA LYS A 40 5.880 15.969 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.369 17.130 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.132 16.270 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.414 17.902 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.674 18.774 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.912 18.254 -3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.947 19.593 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.804 19.206 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.478 20.011 -3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.626 21.591 -1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.054 21.588 -2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.371 20.808 -0.821 1.00 0.00 H new ATOM 280 N LYS A 41 8.771 14.544 0.411 1.00 0.00 N ATOM 281 CA LYS A 41 9.443 13.256 0.465 1.00 0.00 C ATOM 282 C LYS A 41 8.735 12.358 1.479 1.00 0.00 C ATOM 283 O LYS A 41 8.493 11.182 1.211 1.00 0.00 O ATOM 284 CB LYS A 41 10.935 13.444 0.748 1.00 0.00 C ATOM 285 CG LYS A 41 11.633 14.133 -0.428 1.00 0.00 C ATOM 286 CD LYS A 41 13.115 14.372 -0.119 1.00 0.00 C ATOM 287 CE LYS A 41 13.796 15.127 -1.263 1.00 0.00 C ATOM 288 NZ LYS A 41 15.224 15.360 -0.952 1.00 0.00 N ATOM 0 H LYS A 41 9.319 15.328 0.766 1.00 0.00 H new ATOM 0 HA LYS A 41 9.384 12.754 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.065 14.039 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.399 12.475 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.538 13.518 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.144 15.083 -0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.211 14.941 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.616 13.417 0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.707 14.556 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.293 16.080 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.671 15.873 -1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.302 15.924 -0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.703 14.447 -0.817 1.00 0.00 H new ATOM 289 N PHE A 42 8.425 12.945 2.625 1.00 0.00 N ATOM 290 CA PHE A 42 7.747 12.210 3.681 1.00 0.00 C ATOM 291 C PHE A 42 6.364 11.742 3.225 1.00 0.00 C ATOM 292 O PHE A 42 5.978 10.599 3.474 1.00 0.00 O ATOM 293 CB PHE A 42 7.582 13.172 4.860 1.00 0.00 C ATOM 294 CG PHE A 42 6.769 12.598 6.022 1.00 0.00 C ATOM 295 CD1 PHE A 42 7.401 11.763 6.982 1.00 0.00 C ATOM 296 CD2 PHE A 42 5.446 12.891 6.137 1.00 0.00 C ATOM 297 CE1 PHE A 42 6.680 11.252 8.017 1.00 0.00 C ATOM 298 CE2 PHE A 42 4.694 12.357 7.220 1.00 0.00 C ATOM 299 CZ PHE A 42 5.297 11.556 8.138 1.00 0.00 C ATOM 0 H PHE A 42 8.630 13.919 2.846 1.00 0.00 H new ATOM 0 HA PHE A 42 8.328 11.328 3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.569 13.455 5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.099 14.083 4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.452 11.534 6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.967 13.528 5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.159 10.615 8.746 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.643 12.588 7.313 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.725 11.151 8.959 1.00 0.00 H new ATOM 300 N TYR A 43 5.657 12.646 2.562 1.00 0.00 N ATOM 301 CA TYR A 43 4.324 12.337 2.069 1.00 0.00 C ATOM 302 C TYR A 43 4.370 11.221 1.025 1.00 0.00 C ATOM 303 O TYR A 43 3.506 10.344 1.010 1.00 0.00 O ATOM 304 CB TYR A 43 3.815 13.619 1.407 1.00 0.00 C ATOM 305 CG TYR A 43 2.478 13.453 0.680 1.00 0.00 C ATOM 306 CD1 TYR A 43 1.313 13.507 1.384 1.00 0.00 C ATOM 307 CD2 TYR A 43 2.451 13.245 -0.742 1.00 0.00 C ATOM 308 CE1 TYR A 43 0.053 13.353 0.704 1.00 0.00 C ATOM 309 CE2 TYR A 43 1.260 13.098 -1.387 1.00 0.00 C ATOM 310 CZ TYR A 43 0.028 13.155 -0.642 1.00 0.00 C ATOM 311 OH TYR A 43 -1.160 13.009 -1.285 1.00 0.00 O ATOM 0 H TYR A 43 5.981 13.591 2.355 1.00 0.00 H new ATOM 0 HA TYR A 43 3.681 12.001 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.710 14.392 2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.563 13.971 0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.334 13.665 2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.375 13.205 -1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.871 13.395 1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.239 12.939 -2.455 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.769 13.727 -1.013 1.00 0.00 H new ATOM 312 N ALA A 44 5.388 11.290 0.177 1.00 0.00 N ATOM 313 CA ALA A 44 5.558 10.295 -0.869 1.00 0.00 C ATOM 314 C ALA A 44 5.769 8.921 -0.229 1.00 0.00 C ATOM 315 O ALA A 44 5.176 7.933 -0.660 1.00 0.00 O ATOM 316 CB ALA A 44 6.720 10.700 -1.775 1.00 0.00 C ATOM 0 H ALA A 44 6.102 12.018 0.193 1.00 0.00 H new ATOM 0 HA ALA A 44 4.665 10.236 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.847 9.954 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.508 11.669 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.635 10.767 -1.186 1.00 0.00 H new ATOM 317 N ILE A 45 6.619 8.900 0.788 1.00 0.00 N ATOM 318 CA ILE A 45 6.918 7.664 1.491 1.00 0.00 C ATOM 319 C ILE A 45 5.638 7.132 2.143 1.00 0.00 C ATOM 320 O ILE A 45 5.364 5.936 2.093 1.00 0.00 O ATOM 321 CB ILE A 45 8.066 7.872 2.477 1.00 0.00 C ATOM 322 CG1 ILE A 45 9.389 8.089 1.740 1.00 0.00 C ATOM 323 CG2 ILE A 45 8.151 6.717 3.477 1.00 0.00 C ATOM 324 CD1 ILE A 45 10.391 8.841 2.618 1.00 0.00 C ATOM 0 H ILE A 45 7.110 9.721 1.142 1.00 0.00 H new ATOM 0 HA ILE A 45 7.263 6.902 0.792 1.00 0.00 H new ATOM 0 HB ILE A 45 7.862 8.777 3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.808 7.126 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.210 8.651 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.977 6.892 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.218 6.652 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.318 5.783 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.322 8.981 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.979 9.813 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.586 8.265 3.522 1.00 0.00 H new ATOM 325 N THR A 46 4.892 8.048 2.741 1.00 0.00 N ATOM 326 CA THR A 46 3.648 7.686 3.400 1.00 0.00 C ATOM 327 C THR A 46 2.625 7.193 2.377 1.00 0.00 C ATOM 328 O THR A 46 1.717 6.436 2.719 1.00 0.00 O ATOM 329 CB THR A 46 3.171 8.898 4.203 1.00 0.00 C ATOM 330 OG1 THR A 46 4.274 9.218 5.043 1.00 0.00 O ATOM 331 CG2 THR A 46 2.046 8.545 5.181 1.00 0.00 C ATOM 0 H THR A 46 5.124 9.040 2.783 1.00 0.00 H new ATOM 0 HA THR A 46 3.793 6.856 4.091 1.00 0.00 H new ATOM 0 HB THR A 46 2.828 9.674 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.818 9.914 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.744 9.439 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.193 8.151 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.400 7.793 5.886 1.00 0.00 H new ATOM 332 N THR A 47 2.805 7.639 1.144 1.00 0.00 N ATOM 333 CA THR A 47 1.911 7.252 0.066 1.00 0.00 C ATOM 334 C THR A 47 2.388 5.953 -0.584 1.00 0.00 C ATOM 335 O THR A 47 1.631 5.299 -1.298 1.00 0.00 O ATOM 336 CB THR A 47 1.811 8.423 -0.912 1.00 0.00 C ATOM 337 OG1 THR A 47 1.281 9.489 -0.126 1.00 0.00 O ATOM 338 CG2 THR A 47 0.754 8.194 -1.994 1.00 0.00 C ATOM 0 H THR A 47 3.559 8.267 0.866 1.00 0.00 H new ATOM 0 HA THR A 47 0.910 7.040 0.441 1.00 0.00 H new ATOM 0 HB THR A 47 2.781 8.587 -1.382 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.724 9.055 -2.662 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.006 7.301 -2.565 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.222 8.063 -1.527 1.00 0.00 H new ATOM 339 N LEU A 48 3.643 5.624 -0.316 1.00 0.00 N ATOM 340 CA LEU A 48 4.232 4.412 -0.866 1.00 0.00 C ATOM 341 C LEU A 48 4.285 3.338 0.219 1.00 0.00 C ATOM 342 O LEU A 48 4.836 2.260 0.003 1.00 0.00 O ATOM 343 CB LEU A 48 5.591 4.718 -1.495 1.00 0.00 C ATOM 344 CG LEU A 48 5.458 4.863 -3.014 1.00 0.00 C ATOM 345 CD1 LEU A 48 4.708 6.145 -3.378 1.00 0.00 C ATOM 346 CD2 LEU A 48 6.828 4.786 -3.695 1.00 0.00 C ATOM 0 H LEU A 48 4.268 6.173 0.273 1.00 0.00 H new ATOM 0 HA LEU A 48 3.613 4.019 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.997 5.636 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.295 3.920 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 48 4.866 4.027 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.627 6.224 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.710 6.119 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.252 7.007 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.705 4.892 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.465 5.588 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.290 3.824 -3.475 1.00 0.00 H new ATOM 347 N VAL A 49 3.707 3.665 1.365 1.00 0.00 N ATOM 348 CA VAL A 49 3.682 2.740 2.483 1.00 0.00 C ATOM 349 C VAL A 49 2.924 1.475 2.078 1.00 0.00 C ATOM 350 O VAL A 49 3.410 0.363 2.285 1.00 0.00 O ATOM 351 CB VAL A 49 3.085 3.425 3.717 1.00 0.00 C ATOM 352 CG1 VAL A 49 2.199 2.460 4.506 1.00 0.00 C ATOM 353 CG2 VAL A 49 4.184 4.013 4.603 1.00 0.00 C ATOM 0 H VAL A 49 3.252 4.560 1.543 1.00 0.00 H new ATOM 0 HA VAL A 49 4.695 2.440 2.751 1.00 0.00 H new ATOM 0 HB VAL A 49 2.458 4.247 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.788 2.972 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.384 2.113 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.792 1.606 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.733 4.493 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.850 3.216 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.753 4.750 4.036 1.00 0.00 H new ATOM 354 N PRO A 50 1.716 1.692 1.497 1.00 0.00 N ATOM 355 CA PRO A 50 0.887 0.580 1.056 1.00 0.00 C ATOM 356 C PRO A 50 1.434 -0.040 -0.227 1.00 0.00 C ATOM 357 O PRO A 50 1.163 -1.204 -0.524 1.00 0.00 O ATOM 358 CB PRO A 50 -0.504 1.174 0.885 1.00 0.00 C ATOM 359 CG PRO A 50 -0.308 2.675 0.783 1.00 0.00 C ATOM 360 CD PRO A 50 1.108 2.995 1.237 1.00 0.00 C ATOM 0 HA PRO A 50 0.871 -0.243 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.988 0.782 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.143 0.921 1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.465 3.011 -0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.035 3.198 1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.656 3.542 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.106 3.617 2.132 1.00 0.00 H new ATOM 361 N ALA A 51 2.196 0.762 -0.956 1.00 0.00 N ATOM 362 CA ALA A 51 2.787 0.305 -2.204 1.00 0.00 C ATOM 363 C ALA A 51 3.887 -0.711 -1.900 1.00 0.00 C ATOM 364 O ALA A 51 4.007 -1.725 -2.587 1.00 0.00 O ATOM 365 CB ALA A 51 3.305 1.510 -2.994 1.00 0.00 C ATOM 0 H ALA A 51 2.418 1.726 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 51 2.041 -0.194 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.748 1.169 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.478 2.186 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.058 2.034 -2.406 1.00 0.00 H new ATOM 366 N ILE A 52 4.663 -0.404 -0.872 1.00 0.00 N ATOM 367 CA ILE A 52 5.753 -1.279 -0.470 1.00 0.00 C ATOM 368 C ILE A 52 5.177 -2.520 0.216 1.00 0.00 C ATOM 369 O ILE A 52 5.654 -3.632 -0.006 1.00 0.00 O ATOM 370 CB ILE A 52 6.762 -0.516 0.390 1.00 0.00 C ATOM 371 CG1 ILE A 52 7.487 0.551 -0.434 1.00 0.00 C ATOM 372 CG2 ILE A 52 7.739 -1.477 1.073 1.00 0.00 C ATOM 373 CD1 ILE A 52 8.650 -0.060 -1.218 1.00 0.00 C ATOM 0 H ILE A 52 4.560 0.438 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 52 6.307 -1.623 -1.343 1.00 0.00 H new ATOM 0 HB ILE A 52 6.217 0.002 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.786 1.022 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.860 1.334 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.445 -0.909 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.186 -2.165 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.283 -2.042 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.149 0.719 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.361 -0.509 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.270 -0.826 -1.894 1.00 0.00 H new ATOM 374 N ALA A 53 4.159 -2.287 1.035 1.00 0.00 N ATOM 375 CA ALA A 53 3.515 -3.373 1.753 1.00 0.00 C ATOM 376 C ALA A 53 2.943 -4.374 0.748 1.00 0.00 C ATOM 377 O ALA A 53 3.057 -5.586 0.940 1.00 0.00 O ATOM 378 CB ALA A 53 2.441 -2.803 2.683 1.00 0.00 C ATOM 0 H ALA A 53 3.766 -1.363 1.216 1.00 0.00 H new ATOM 0 HA ALA A 53 4.236 -3.904 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.957 -3.617 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.902 -2.119 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.698 -2.266 2.094 1.00 0.00 H new ATOM 379 N PHE A 54 2.343 -3.835 -0.303 1.00 0.00 N ATOM 380 CA PHE A 54 1.753 -4.668 -1.336 1.00 0.00 C ATOM 381 C PHE A 54 2.833 -5.419 -2.116 1.00 0.00 C ATOM 382 O PHE A 54 2.660 -6.589 -2.454 1.00 0.00 O ATOM 383 CB PHE A 54 1.007 -3.731 -2.291 1.00 0.00 C ATOM 384 CG PHE A 54 0.487 -4.422 -3.554 1.00 0.00 C ATOM 385 CD1 PHE A 54 -0.727 -5.158 -3.510 1.00 0.00 C ATOM 386 CD2 PHE A 54 1.182 -4.325 -4.719 1.00 0.00 C ATOM 387 CE1 PHE A 54 -1.190 -5.770 -4.634 1.00 0.00 C ATOM 388 CE2 PHE A 54 0.698 -4.962 -5.889 1.00 0.00 C ATOM 389 CZ PHE A 54 -0.464 -5.671 -5.849 1.00 0.00 C ATOM 0 H PHE A 54 2.253 -2.831 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 54 1.088 -5.406 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.167 -3.282 -1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.672 -2.918 -2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.282 -5.232 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.103 -3.762 -4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.112 -6.332 -4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.251 -4.885 -6.813 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.832 -6.157 -6.740 1.00 0.00 H new ATOM 390 N THR A 55 3.924 -4.713 -2.383 1.00 0.00 N ATOM 391 CA THR A 55 5.032 -5.300 -3.117 1.00 0.00 C ATOM 392 C THR A 55 5.613 -6.489 -2.347 1.00 0.00 C ATOM 393 O THR A 55 5.924 -7.523 -2.938 1.00 0.00 O ATOM 394 CB THR A 55 6.053 -4.196 -3.392 1.00 0.00 C ATOM 395 OG1 THR A 55 5.363 -3.289 -4.246 1.00 0.00 O ATOM 396 CG2 THR A 55 7.230 -4.684 -4.238 1.00 0.00 C ATOM 0 H THR A 55 4.063 -3.742 -2.104 1.00 0.00 H new ATOM 0 HA THR A 55 4.703 -5.704 -4.074 1.00 0.00 H new ATOM 0 HB THR A 55 6.425 -3.803 -2.446 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.974 -2.567 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.925 -3.861 -4.404 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.743 -5.492 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.862 -5.047 -5.198 1.00 0.00 H new ATOM 397 N MET A 56 5.744 -6.301 -1.043 1.00 0.00 N ATOM 398 CA MET A 56 6.281 -7.346 -0.187 1.00 0.00 C ATOM 399 C MET A 56 5.327 -8.538 -0.111 1.00 0.00 C ATOM 400 O MET A 56 5.758 -9.686 -0.202 1.00 0.00 O ATOM 401 CB MET A 56 6.511 -6.784 1.218 1.00 0.00 C ATOM 402 CG MET A 56 7.621 -5.731 1.213 1.00 0.00 C ATOM 403 SD MET A 56 8.960 -6.249 2.274 1.00 0.00 S ATOM 404 CE MET A 56 9.765 -7.430 1.204 1.00 0.00 C ATOM 0 H MET A 56 5.488 -5.441 -0.558 1.00 0.00 H new ATOM 0 HA MET A 56 7.225 -7.689 -0.611 1.00 0.00 H new ATOM 0 HB2 MET A 56 5.588 -6.342 1.592 1.00 0.00 H new ATOM 0 HB3 MET A 56 6.776 -7.593 1.898 1.00 0.00 H new ATOM 0 HG2 MET A 56 7.988 -5.582 0.197 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.227 -4.773 1.553 1.00 0.00 H new ATOM 0 HE1 MET A 56 10.630 -7.853 1.715 1.00 0.00 H new ATOM 0 HE2 MET A 56 9.066 -8.228 0.952 1.00 0.00 H new ATOM 0 HE3 MET A 56 10.091 -6.931 0.291 1.00 0.00 H new ATOM 405 N TYR A 57 4.051 -8.225 0.054 1.00 0.00 N ATOM 406 CA TYR A 57 3.033 -9.256 0.143 1.00 0.00 C ATOM 407 C TYR A 57 2.893 -10.006 -1.182 1.00 0.00 C ATOM 408 O TYR A 57 2.539 -11.184 -1.200 1.00 0.00 O ATOM 409 CB TYR A 57 1.719 -8.529 0.445 1.00 0.00 C ATOM 410 CG TYR A 57 0.491 -9.440 0.453 1.00 0.00 C ATOM 411 CD1 TYR A 57 0.200 -10.247 1.610 1.00 0.00 C ATOM 412 CD2 TYR A 57 -0.326 -9.489 -0.633 1.00 0.00 C ATOM 413 CE1 TYR A 57 -0.894 -11.058 1.616 1.00 0.00 C ATOM 414 CE2 TYR A 57 -1.483 -10.347 -0.627 1.00 0.00 C ATOM 415 CZ TYR A 57 -1.758 -11.108 0.465 1.00 0.00 C ATOM 416 OH TYR A 57 -2.851 -11.919 0.471 1.00 0.00 O ATOM 0 H TYR A 57 3.699 -7.271 0.128 1.00 0.00 H new ATOM 0 HA TYR A 57 3.294 -9.985 0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.802 -8.039 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.571 -7.744 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.849 -10.209 2.472 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.107 -8.884 -1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.113 -11.663 2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.132 -10.386 -1.490 1.00 0.00 H new ATOM 417 N LEU A 58 3.178 -9.294 -2.260 1.00 0.00 N ATOM 418 CA LEU A 58 3.088 -9.875 -3.591 1.00 0.00 C ATOM 419 C LEU A 58 4.324 -10.740 -3.847 1.00 0.00 C ATOM 420 O LEU A 58 4.243 -11.760 -4.530 1.00 0.00 O ATOM 421 CB LEU A 58 2.873 -8.783 -4.641 1.00 0.00 C ATOM 422 CG LEU A 58 2.584 -9.407 -6.007 1.00 0.00 C ATOM 423 CD1 LEU A 58 1.119 -9.836 -6.113 1.00 0.00 C ATOM 424 CD2 LEU A 58 2.987 -8.460 -7.138 1.00 0.00 C ATOM 0 H LEU A 58 3.472 -8.318 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 58 2.218 -10.528 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.043 -8.142 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.758 -8.150 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 58 3.192 -10.306 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.939 -10.277 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.898 -10.571 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.475 -8.966 -5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.771 -8.928 -8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.424 -7.531 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.054 -8.246 -7.070 1.00 0.00 H new ATOM 425 N SER A 59 5.442 -10.301 -3.281 1.00 0.00 N ATOM 426 CA SER A 59 6.693 -11.023 -3.440 1.00 0.00 C ATOM 427 C SER A 59 6.638 -12.340 -2.667 1.00 0.00 C ATOM 428 O SER A 59 7.464 -13.226 -2.885 1.00 0.00 O ATOM 429 CB SER A 59 7.878 -10.180 -2.971 1.00 0.00 C ATOM 430 OG SER A 59 9.113 -10.877 -3.099 1.00 0.00 O ATOM 0 H SER A 59 5.506 -9.456 -2.713 1.00 0.00 H new ATOM 0 HA SER A 59 6.832 -11.237 -4.500 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.920 -9.259 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.730 -9.894 -1.930 1.00 0.00 H new ATOM 0 HG SER A 59 9.846 -10.304 -2.790 1.00 0.00 H new ATOM 431 N MET A 60 5.660 -12.430 -1.780 1.00 0.00 N ATOM 432 CA MET A 60 5.487 -13.625 -0.971 1.00 0.00 C ATOM 433 C MET A 60 4.351 -14.493 -1.512 1.00 0.00 C ATOM 434 O MET A 60 4.549 -15.674 -1.800 1.00 0.00 O ATOM 435 CB MET A 60 5.181 -13.225 0.473 1.00 0.00 C ATOM 436 CG MET A 60 5.102 -14.453 1.379 1.00 0.00 C ATOM 437 SD MET A 60 4.870 -13.951 3.077 1.00 0.00 S ATOM 438 CE MET A 60 3.108 -13.670 3.079 1.00 0.00 C ATOM 0 H MET A 60 4.977 -11.693 -1.603 1.00 0.00 H new ATOM 0 HA MET A 60 6.410 -14.203 -1.009 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.954 -12.549 0.838 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.238 -12.680 0.511 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.277 -15.093 1.065 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.015 -15.041 1.287 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.896 -12.692 3.511 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.733 -13.704 2.056 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.617 -14.443 3.671 1.00 0.00 H new ATOM 439 N LEU A 61 3.184 -13.877 -1.635 1.00 0.00 N ATOM 440 CA LEU A 61 2.017 -14.581 -2.137 1.00 0.00 C ATOM 441 C LEU A 61 2.327 -15.160 -3.518 1.00 0.00 C ATOM 442 O LEU A 61 2.296 -16.372 -3.708 1.00 0.00 O ATOM 443 CB LEU A 61 0.790 -13.667 -2.115 1.00 0.00 C ATOM 444 CG LEU A 61 -0.482 -14.478 -1.871 1.00 0.00 C ATOM 445 CD1 LEU A 61 -0.605 -15.623 -2.881 1.00 0.00 C ATOM 446 CD2 LEU A 61 -0.545 -14.980 -0.427 1.00 0.00 C ATOM 0 H LEU A 61 3.022 -12.899 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 61 1.773 -15.422 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.904 -12.916 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.711 -13.133 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.339 -13.821 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.519 -16.184 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.639 -15.215 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.255 -16.286 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.460 -15.554 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.318 -15.615 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.538 -14.129 0.255 1.00 0.00 H new ATOM 447 N LEU A 62 2.622 -14.262 -4.446 1.00 0.00 N ATOM 448 CA LEU A 62 2.939 -14.665 -5.807 1.00 0.00 C ATOM 449 C LEU A 62 4.266 -15.433 -5.807 1.00 0.00 C ATOM 450 O LEU A 62 4.406 -16.431 -6.513 1.00 0.00 O ATOM 451 CB LEU A 62 2.930 -13.457 -6.741 1.00 0.00 C ATOM 452 CG LEU A 62 2.272 -13.816 -8.075 1.00 0.00 C ATOM 453 CD1 LEU A 62 2.982 -15.001 -8.735 1.00 0.00 C ATOM 454 CD2 LEU A 62 0.774 -14.071 -7.897 1.00 0.00 C ATOM 0 H LEU A 62 2.648 -13.255 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 62 2.175 -15.340 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.392 -12.632 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.951 -13.115 -6.913 1.00 0.00 H new ATOM 0 HG LEU A 62 2.375 -12.964 -8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.495 -15.236 -9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.025 -14.744 -8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.932 -15.868 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.331 -14.324 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.626 -14.897 -7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.297 -13.174 -7.503 1.00 0.00 H new ATOM 455 N GLY A 63 5.198 -14.938 -5.010 1.00 0.00 N ATOM 456 CA GLY A 63 6.505 -15.568 -4.911 1.00 0.00 C ATOM 457 C GLY A 63 7.440 -15.063 -6.014 1.00 0.00 C ATOM 458 O GLY A 63 7.535 -15.674 -7.078 1.00 0.00 O ATOM 0 H GLY A 63 5.077 -14.110 -4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.941 -15.358 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.398 -16.650 -4.986 1.00 0.00 H new ATOM 459 N TYR A 64 8.104 -13.956 -5.722 1.00 0.00 N ATOM 460 CA TYR A 64 9.028 -13.363 -6.676 1.00 0.00 C ATOM 461 C TYR A 64 10.381 -13.078 -6.026 1.00 0.00 C ATOM 462 O TYR A 64 11.254 -12.464 -6.638 1.00 0.00 O ATOM 463 CB TYR A 64 8.395 -12.040 -7.109 1.00 0.00 C ATOM 464 CG TYR A 64 7.282 -12.192 -8.148 1.00 0.00 C ATOM 465 CD1 TYR A 64 7.510 -12.969 -9.341 1.00 0.00 C ATOM 466 CD2 TYR A 64 6.077 -11.591 -7.947 1.00 0.00 C ATOM 467 CE1 TYR A 64 6.520 -13.105 -10.262 1.00 0.00 C ATOM 468 CE2 TYR A 64 5.031 -11.735 -8.924 1.00 0.00 C ATOM 469 CZ TYR A 64 5.247 -12.470 -10.051 1.00 0.00 C ATOM 470 OH TYR A 64 4.258 -12.605 -10.973 1.00 0.00 O ATOM 0 H TYR A 64 8.022 -13.453 -4.839 1.00 0.00 H new ATOM 0 HA TYR A 64 9.200 -14.039 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.991 -11.538 -6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.172 -11.394 -7.516 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.467 -13.443 -9.503 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.907 -11.007 -7.055 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.689 -13.691 -11.153 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.074 -11.260 -8.764 1.00 0.00 H new ATOM 0 HH TYR A 64 3.464 -12.114 -10.675 1.00 0.00 H new ATOM 471 N GLY A 65 10.517 -13.539 -4.789 1.00 0.00 N ATOM 472 CA GLY A 65 11.750 -13.340 -4.047 1.00 0.00 C ATOM 473 C GLY A 65 11.631 -13.899 -2.627 1.00 0.00 C ATOM 474 O GLY A 65 12.493 -14.655 -2.178 1.00 0.00 O ATOM 0 H GLY A 65 9.793 -14.049 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.574 -13.829 -4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.986 -12.277 -4.005 1.00 0.00 H new ATOM 475 N LEU A 66 10.559 -13.502 -1.958 1.00 0.00 N ATOM 476 CA LEU A 66 10.317 -13.953 -0.598 1.00 0.00 C ATOM 477 C LEU A 66 10.158 -15.475 -0.590 1.00 0.00 C ATOM 478 O LEU A 66 10.773 -16.163 0.225 1.00 0.00 O ATOM 479 CB LEU A 66 9.123 -13.209 0.009 1.00 0.00 C ATOM 480 CG LEU A 66 9.607 -12.092 0.938 1.00 0.00 C ATOM 481 CD1 LEU A 66 10.353 -11.012 0.155 1.00 0.00 C ATOM 482 CD2 LEU A 66 8.447 -11.518 1.754 1.00 0.00 C ATOM 0 H LEU A 66 9.848 -12.873 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 66 11.170 -13.717 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.506 -12.789 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.496 -13.906 0.564 1.00 0.00 H new ATOM 0 HG LEU A 66 10.317 -12.519 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.686 -10.231 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.218 -11.453 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.688 -10.580 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.817 -10.727 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.694 -11.110 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.002 -12.308 2.359 1.00 0.00 H new ATOM 483 N THR A 67 9.331 -15.955 -1.507 1.00 0.00 N ATOM 484 CA THR A 67 9.086 -17.386 -1.618 1.00 0.00 C ATOM 485 C THR A 67 10.217 -18.065 -2.391 1.00 0.00 C ATOM 486 O THR A 67 10.631 -19.172 -2.050 1.00 0.00 O ATOM 487 CB THR A 67 7.711 -17.578 -2.259 1.00 0.00 C ATOM 488 OG1 THR A 67 6.855 -16.719 -1.510 1.00 0.00 O ATOM 489 CG2 THR A 67 7.141 -18.978 -2.011 1.00 0.00 C ATOM 0 H THR A 67 8.822 -15.381 -2.179 1.00 0.00 H new ATOM 0 HA THR A 67 9.076 -17.863 -0.638 1.00 0.00 H new ATOM 0 HB THR A 67 7.782 -17.398 -3.332 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.981 -16.664 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.164 -19.063 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.815 -19.725 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.038 -19.144 -0.939 1.00 0.00 H new ATOM 490 N MET A 68 10.690 -17.371 -3.419 1.00 0.00 N ATOM 491 CA MET A 68 11.765 -17.892 -4.244 1.00 0.00 C ATOM 492 C MET A 68 13.116 -17.335 -3.796 1.00 0.00 C ATOM 493 O MET A 68 13.745 -16.565 -4.524 1.00 0.00 O ATOM 494 CB MET A 68 11.515 -17.518 -5.705 1.00 0.00 C ATOM 495 CG MET A 68 10.196 -18.112 -6.205 1.00 0.00 C ATOM 496 SD MET A 68 10.323 -18.505 -7.943 1.00 0.00 S ATOM 497 CE MET A 68 10.488 -16.861 -8.621 1.00 0.00 C ATOM 0 H MET A 68 10.347 -16.452 -3.698 1.00 0.00 H new ATOM 0 HA MET A 68 11.788 -18.977 -4.138 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.491 -16.433 -5.808 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.338 -17.879 -6.322 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.954 -19.010 -5.637 1.00 0.00 H new ATOM 0 HG3 MET A 68 9.384 -17.404 -6.042 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.881 -16.776 -9.522 1.00 0.00 H new ATOM 0 HE2 MET A 68 10.151 -16.129 -7.887 1.00 0.00 H new ATOM 0 HE3 MET A 68 11.533 -16.673 -8.868 1.00 0.00 H new ATOM 498 N VAL A 69 13.526 -17.744 -2.605 1.00 0.00 N ATOM 499 CA VAL A 69 14.794 -17.293 -2.054 1.00 0.00 C ATOM 500 C VAL A 69 15.931 -17.727 -2.981 1.00 0.00 C ATOM 501 O VAL A 69 16.783 -16.916 -3.346 1.00 0.00 O ATOM 502 CB VAL A 69 14.956 -17.815 -0.624 1.00 0.00 C ATOM 503 CG1 VAL A 69 16.425 -18.120 -0.317 1.00 0.00 C ATOM 504 CG2 VAL A 69 14.376 -16.826 0.391 1.00 0.00 C ATOM 0 H VAL A 69 13.003 -18.383 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 69 14.821 -16.205 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 69 14.395 -18.746 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.514 -18.489 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 69 16.792 -18.877 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.016 -17.211 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.504 -17.222 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.896 -15.872 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 69 13.315 -16.680 0.191 1.00 0.00 H new ATOM 505 N PRO A 70 15.908 -19.036 -3.345 1.00 0.00 N ATOM 506 CA PRO A 70 16.925 -19.586 -4.225 1.00 0.00 C ATOM 507 C PRO A 70 16.699 -19.145 -5.670 1.00 0.00 C ATOM 508 CB PRO A 70 16.833 -21.093 -4.041 1.00 0.00 C ATOM 509 CG PRO A 70 15.464 -21.354 -3.428 1.00 0.00 C ATOM 510 CD PRO A 70 14.915 -20.025 -2.933 1.00 0.00 C ATOM 511 OXT PRO A 70 17.657 -18.924 -6.412 1.00 0.00 O ATOM 0 HA PRO A 70 17.926 -19.229 -3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.939 -21.610 -4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 70 17.628 -21.457 -3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.793 -21.794 -4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.543 -22.065 -2.605 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.939 -19.812 -3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 70 14.785 -20.029 -1.851 1.00 0.00 H new TER 512 PRO A 70