USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=10 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 141:sc= -2.2! USER MOD Set 1.2: A 51 GLN : amide:sc= -4.71! C(o=-6.9!,f=-10!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -122:sc= 0.135 USER MOD Single : A 20 SER OG : rot -50:sc= 0.898 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.353 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.4 K(o=-0.4,f=-2!) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -2.69 (180deg=-3.24!) USER MOD Single : A 39 ASN : amide:sc= -0.669 K(o=-0.67,f=-6!) USER MOD Single : A 41 ASN : amide:sc= -1.83! X(o=-1.8!,f=-1.4) USER MOD Single : A 45 MET CE :methyl -118:sc= -0.0149 (180deg=-2.3!) USER MOD Single : A 46 ASN : amide:sc= -3.39! C(o=-3.4!,f=-4.6!) USER MOD Single : A 48 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.063) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= -2.45! (180deg=-2.67!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.064) USER MOD Single : A 59 LYS NZ :NH3+ -154:sc=0.000365 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.451 13.677 -2.631 1.00 0.00 N ATOM 2 CA ILE A 6 0.569 14.258 -1.713 1.00 0.00 C ATOM 3 C ILE A 6 1.956 13.704 -2.113 1.00 0.00 C ATOM 4 O ILE A 6 2.063 12.558 -2.500 1.00 0.00 O ATOM 5 CB ILE A 6 0.196 13.857 -0.250 1.00 0.00 C ATOM 6 CG1 ILE A 6 -0.297 15.093 0.522 1.00 0.00 C ATOM 7 CG2 ILE A 6 1.395 13.241 0.499 1.00 0.00 C ATOM 8 CD1 ILE A 6 -0.864 14.668 1.879 1.00 0.00 C ATOM 0 HA ILE A 6 0.597 15.346 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.593 13.108 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.525 15.795 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.062 15.612 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.094 12.976 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.731 12.346 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.209 13.965 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.211 15.548 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.698 13.983 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.087 14.169 2.458 1.00 0.00 H new ATOM 20 N PRO A 7 3.019 14.478 -2.002 1.00 0.00 N ATOM 21 CA PRO A 7 4.374 13.967 -2.346 1.00 0.00 C ATOM 22 C PRO A 7 4.664 12.644 -1.620 1.00 0.00 C ATOM 23 O PRO A 7 4.770 12.592 -0.410 1.00 0.00 O ATOM 24 CB PRO A 7 5.345 15.075 -1.906 1.00 0.00 C ATOM 25 CG PRO A 7 4.515 16.320 -1.751 1.00 0.00 C ATOM 26 CD PRO A 7 3.052 15.886 -1.556 1.00 0.00 C ATOM 0 HA PRO A 7 4.471 13.749 -3.410 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.835 14.814 -0.968 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.131 15.221 -2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.858 16.904 -0.897 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.611 16.956 -2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.746 15.979 -0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.373 16.504 -2.144 1.00 0.00 H new ATOM 34 N ILE A 8 4.767 11.582 -2.366 1.00 0.00 N ATOM 35 CA ILE A 8 5.021 10.236 -1.791 1.00 0.00 C ATOM 36 C ILE A 8 5.967 10.287 -0.566 1.00 0.00 C ATOM 37 O ILE A 8 5.940 9.406 0.268 1.00 0.00 O ATOM 38 CB ILE A 8 5.634 9.379 -2.903 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.591 7.920 -2.491 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.065 9.806 -3.157 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.162 7.053 -3.613 1.00 0.00 C ATOM 0 H ILE A 8 4.683 11.593 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 8 4.083 9.812 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 8 5.063 9.513 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.165 7.773 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.565 7.623 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.493 9.191 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.084 10.853 -3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.649 9.681 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.130 6.005 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.569 7.191 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.194 7.344 -3.808 1.00 0.00 H new ATOM 53 N TRP A 9 6.811 11.289 -0.449 1.00 0.00 N ATOM 54 CA TRP A 9 7.753 11.353 0.732 1.00 0.00 C ATOM 55 C TRP A 9 7.118 12.188 1.859 1.00 0.00 C ATOM 56 O TRP A 9 7.788 12.573 2.796 1.00 0.00 O ATOM 57 CB TRP A 9 9.103 11.997 0.306 1.00 0.00 C ATOM 58 CG TRP A 9 8.871 12.834 -0.901 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.409 14.103 -0.897 1.00 0.00 C ATOM 60 CD2 TRP A 9 9.041 12.463 -2.290 1.00 0.00 C ATOM 61 NE1 TRP A 9 8.276 14.530 -2.201 1.00 0.00 N ATOM 62 CE2 TRP A 9 8.643 13.551 -3.097 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.490 11.293 -2.921 1.00 0.00 C ATOM 64 CZ2 TRP A 9 8.680 13.481 -4.483 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.523 11.216 -4.319 1.00 0.00 C ATOM 66 CH2 TRP A 9 9.114 12.308 -5.096 1.00 0.00 C ATOM 0 H TRP A 9 6.892 12.061 -1.111 1.00 0.00 H new ATOM 0 HA TRP A 9 7.938 10.340 1.090 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.504 12.605 1.117 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.841 11.223 0.093 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.181 14.687 -0.017 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.946 15.457 -2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.811 10.450 -2.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.375 14.328 -5.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.865 10.312 -4.800 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.135 12.240 -6.174 1.00 0.00 H new ATOM 77 N GLU A 10 5.838 12.479 1.771 1.00 0.00 N ATOM 78 CA GLU A 10 5.164 13.300 2.836 1.00 0.00 C ATOM 79 C GLU A 10 3.916 12.575 3.358 1.00 0.00 C ATOM 80 O GLU A 10 3.342 12.961 4.356 1.00 0.00 O ATOM 81 CB GLU A 10 4.752 14.656 2.242 1.00 0.00 C ATOM 82 CG GLU A 10 5.968 15.587 2.183 1.00 0.00 C ATOM 83 CD GLU A 10 6.266 16.134 3.580 1.00 0.00 C ATOM 84 OE1 GLU A 10 6.977 15.469 4.316 1.00 0.00 O ATOM 85 OE2 GLU A 10 5.780 17.209 3.891 1.00 0.00 O ATOM 0 H GLU A 10 5.230 12.184 1.007 1.00 0.00 H new ATOM 0 HA GLU A 10 5.858 13.449 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.341 14.516 1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.967 15.106 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.834 15.046 1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.776 16.409 1.493 1.00 0.00 H new ATOM 92 N ARG A 11 3.483 11.536 2.697 1.00 0.00 N ATOM 93 CA ARG A 11 2.264 10.810 3.175 1.00 0.00 C ATOM 94 C ARG A 11 2.644 9.832 4.290 1.00 0.00 C ATOM 95 O ARG A 11 3.771 9.786 4.736 1.00 0.00 O ATOM 96 CB ARG A 11 1.596 10.043 2.012 1.00 0.00 C ATOM 97 CG ARG A 11 2.648 9.527 1.019 1.00 0.00 C ATOM 98 CD ARG A 11 3.632 8.577 1.719 1.00 0.00 C ATOM 99 NE ARG A 11 4.730 9.373 2.341 1.00 0.00 N ATOM 100 CZ ARG A 11 5.572 8.803 3.160 1.00 0.00 C ATOM 101 NH1 ARG A 11 5.460 7.531 3.433 1.00 0.00 N ATOM 102 NH2 ARG A 11 6.525 9.506 3.709 1.00 0.00 N ATOM 0 H ARG A 11 3.914 11.158 1.853 1.00 0.00 H new ATOM 0 HA ARG A 11 1.555 11.542 3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.021 9.205 2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.893 10.697 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.156 9.008 0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.191 10.367 0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.113 7.995 2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.044 7.868 1.001 1.00 0.00 H new ATOM 0 HE ARG A 11 4.823 10.366 2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.714 6.982 3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.118 7.087 4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.612 10.500 3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.183 9.061 4.349 1.00 0.00 H new ATOM 116 N TYR A 12 1.696 9.046 4.733 1.00 0.00 N ATOM 117 CA TYR A 12 1.958 8.043 5.810 1.00 0.00 C ATOM 118 C TYR A 12 1.698 6.654 5.226 1.00 0.00 C ATOM 119 O TYR A 12 2.052 5.643 5.798 1.00 0.00 O ATOM 120 CB TYR A 12 1.016 8.301 6.992 1.00 0.00 C ATOM 121 CG TYR A 12 -0.386 8.568 6.486 1.00 0.00 C ATOM 122 CD1 TYR A 12 -0.682 9.774 5.835 1.00 0.00 C ATOM 123 CD2 TYR A 12 -1.389 7.608 6.669 1.00 0.00 C ATOM 124 CE1 TYR A 12 -1.979 10.017 5.367 1.00 0.00 C ATOM 125 CE2 TYR A 12 -2.686 7.851 6.202 1.00 0.00 C ATOM 126 CZ TYR A 12 -2.981 9.055 5.551 1.00 0.00 C ATOM 127 OH TYR A 12 -4.260 9.293 5.089 1.00 0.00 O ATOM 0 H TYR A 12 0.736 9.057 4.388 1.00 0.00 H new ATOM 0 HA TYR A 12 2.986 8.117 6.165 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.013 7.440 7.660 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.371 9.153 7.572 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.091 10.516 5.695 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.162 6.679 7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.207 10.945 4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.459 7.110 6.344 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.831 8.524 5.297 1.00 0.00 H new ATOM 137 N THR A 13 1.090 6.618 4.070 1.00 0.00 N ATOM 138 CA THR A 13 0.794 5.326 3.385 1.00 0.00 C ATOM 139 C THR A 13 0.959 5.550 1.879 1.00 0.00 C ATOM 140 O THR A 13 0.802 6.653 1.396 1.00 0.00 O ATOM 141 CB THR A 13 -0.651 4.898 3.703 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.492 6.042 3.646 1.00 0.00 O ATOM 143 CG2 THR A 13 -0.755 4.265 5.112 1.00 0.00 C ATOM 0 H THR A 13 0.780 7.446 3.562 1.00 0.00 H new ATOM 0 HA THR A 13 1.470 4.541 3.725 1.00 0.00 H new ATOM 0 HB THR A 13 -0.960 4.153 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.348 5.799 3.235 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.788 3.974 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.114 3.385 5.164 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.436 4.990 5.861 1.00 0.00 H new ATOM 151 N LEU A 14 1.302 4.526 1.132 1.00 0.00 N ATOM 152 CA LEU A 14 1.511 4.701 -0.346 1.00 0.00 C ATOM 153 C LEU A 14 0.313 4.161 -1.130 1.00 0.00 C ATOM 154 O LEU A 14 -0.314 3.192 -0.754 1.00 0.00 O ATOM 155 CB LEU A 14 2.785 3.937 -0.766 1.00 0.00 C ATOM 156 CG LEU A 14 4.013 4.846 -0.661 1.00 0.00 C ATOM 157 CD1 LEU A 14 4.354 5.088 0.807 1.00 0.00 C ATOM 158 CD2 LEU A 14 5.199 4.172 -1.348 1.00 0.00 C ATOM 0 H LEU A 14 1.446 3.578 1.479 1.00 0.00 H new ATOM 0 HA LEU A 14 1.618 5.763 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.918 3.061 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.679 3.575 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 14 3.798 5.799 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.228 5.735 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.509 5.566 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.568 4.136 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.075 4.816 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.408 3.219 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.961 3.999 -2.398 1.00 0.00 H new ATOM 170 N THR A 15 0.010 4.789 -2.235 1.00 0.00 N ATOM 171 CA THR A 15 -1.126 4.334 -3.078 1.00 0.00 C ATOM 172 C THR A 15 -0.672 3.163 -3.936 1.00 0.00 C ATOM 173 O THR A 15 0.459 2.729 -3.861 1.00 0.00 O ATOM 174 CB THR A 15 -1.561 5.474 -3.998 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.411 6.085 -4.565 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.342 6.508 -3.202 1.00 0.00 C ATOM 0 H THR A 15 0.508 5.605 -2.590 1.00 0.00 H new ATOM 0 HA THR A 15 -1.956 4.033 -2.439 1.00 0.00 H new ATOM 0 HB THR A 15 -2.195 5.077 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.401 7.038 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.650 7.319 -3.862 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.225 6.040 -2.765 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.712 6.907 -2.407 1.00 0.00 H new ATOM 184 N ILE A 16 -1.532 2.665 -4.776 1.00 0.00 N ATOM 185 CA ILE A 16 -1.123 1.553 -5.649 1.00 0.00 C ATOM 186 C ILE A 16 -0.056 2.092 -6.602 1.00 0.00 C ATOM 187 O ILE A 16 0.912 1.430 -6.913 1.00 0.00 O ATOM 188 CB ILE A 16 -2.327 1.062 -6.463 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.318 0.299 -5.555 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.833 0.159 -7.600 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.887 -1.162 -5.382 1.00 0.00 C ATOM 0 H ILE A 16 -2.494 2.983 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.738 0.722 -5.058 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.851 1.919 -6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.372 0.784 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.318 0.339 -5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.685 -0.193 -8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.160 0.723 -8.246 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.302 -0.696 -7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.600 -1.678 -4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.857 -1.650 -6.356 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.897 -1.198 -4.928 1.00 0.00 H new ATOM 203 N GLU A 17 -0.237 3.299 -7.064 1.00 0.00 N ATOM 204 CA GLU A 17 0.758 3.897 -7.993 1.00 0.00 C ATOM 205 C GLU A 17 2.047 4.153 -7.219 1.00 0.00 C ATOM 206 O GLU A 17 3.125 3.824 -7.674 1.00 0.00 O ATOM 207 CB GLU A 17 0.221 5.205 -8.587 1.00 0.00 C ATOM 208 CG GLU A 17 -0.266 6.134 -7.474 1.00 0.00 C ATOM 209 CD GLU A 17 -1.048 7.298 -8.086 1.00 0.00 C ATOM 210 OE1 GLU A 17 -2.022 7.035 -8.772 1.00 0.00 O ATOM 211 OE2 GLU A 17 -0.661 8.432 -7.857 1.00 0.00 O ATOM 0 H GLU A 17 -1.032 3.896 -6.837 1.00 0.00 H new ATOM 0 HA GLU A 17 0.951 3.212 -8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.003 5.698 -9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.597 4.991 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.898 5.584 -6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.583 6.512 -6.904 1.00 0.00 H new ATOM 218 N GLU A 18 1.956 4.705 -6.035 1.00 0.00 N ATOM 219 CA GLU A 18 3.186 4.928 -5.246 1.00 0.00 C ATOM 220 C GLU A 18 3.757 3.558 -4.888 1.00 0.00 C ATOM 221 O GLU A 18 4.946 3.329 -4.943 1.00 0.00 O ATOM 222 CB GLU A 18 2.856 5.666 -3.949 1.00 0.00 C ATOM 223 CG GLU A 18 2.435 7.120 -4.223 1.00 0.00 C ATOM 224 CD GLU A 18 1.526 7.619 -3.094 1.00 0.00 C ATOM 225 OE1 GLU A 18 1.977 7.633 -1.961 1.00 0.00 O ATOM 226 OE2 GLU A 18 0.396 7.975 -3.383 1.00 0.00 O ATOM 0 H GLU A 18 1.088 5.005 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 18 3.894 5.522 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.054 5.145 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.725 5.655 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.317 7.755 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.913 7.183 -5.178 1.00 0.00 H new ATOM 233 N ALA A 19 2.900 2.644 -4.515 1.00 0.00 N ATOM 234 CA ALA A 19 3.367 1.282 -4.139 1.00 0.00 C ATOM 235 C ALA A 19 4.029 0.615 -5.336 1.00 0.00 C ATOM 236 O ALA A 19 5.072 0.017 -5.223 1.00 0.00 O ATOM 237 CB ALA A 19 2.177 0.439 -3.691 1.00 0.00 C ATOM 0 H ALA A 19 1.892 2.786 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 19 4.087 1.365 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.521 -0.558 -3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.701 0.909 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.458 0.363 -4.506 1.00 0.00 H new ATOM 243 N SER A 20 3.438 0.692 -6.485 1.00 0.00 N ATOM 244 CA SER A 20 4.073 0.042 -7.654 1.00 0.00 C ATOM 245 C SER A 20 5.497 0.578 -7.836 1.00 0.00 C ATOM 246 O SER A 20 6.426 -0.170 -7.975 1.00 0.00 O ATOM 247 CB SER A 20 3.256 0.323 -8.898 1.00 0.00 C ATOM 248 OG SER A 20 3.314 1.711 -9.200 1.00 0.00 O ATOM 0 H SER A 20 2.555 1.169 -6.666 1.00 0.00 H new ATOM 0 HA SER A 20 4.116 -1.034 -7.488 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.639 -0.259 -9.736 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.221 0.017 -8.743 1.00 0.00 H new ATOM 0 HG SER A 20 3.109 2.230 -8.394 1.00 0.00 H new ATOM 254 N LYS A 21 5.685 1.863 -7.841 1.00 0.00 N ATOM 255 CA LYS A 21 7.068 2.401 -8.018 1.00 0.00 C ATOM 256 C LYS A 21 7.903 2.108 -6.763 1.00 0.00 C ATOM 257 O LYS A 21 8.979 1.547 -6.826 1.00 0.00 O ATOM 258 CB LYS A 21 6.992 3.918 -8.249 1.00 0.00 C ATOM 259 CG LYS A 21 8.403 4.502 -8.528 1.00 0.00 C ATOM 260 CD LYS A 21 8.977 5.174 -7.264 1.00 0.00 C ATOM 261 CE LYS A 21 8.267 6.512 -6.987 1.00 0.00 C ATOM 262 NZ LYS A 21 9.178 7.402 -6.212 1.00 0.00 N ATOM 0 H LYS A 21 4.952 2.564 -7.732 1.00 0.00 H new ATOM 0 HA LYS A 21 7.540 1.923 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.332 4.130 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.559 4.403 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.072 3.707 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.347 5.229 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.859 4.510 -6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.046 5.344 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.986 6.989 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.347 6.340 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.701 8.307 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.425 6.946 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.044 7.575 -6.761 1.00 0.00 H new ATOM 276 N TYR A 22 7.399 2.499 -5.632 1.00 0.00 N ATOM 277 CA TYR A 22 8.113 2.286 -4.330 1.00 0.00 C ATOM 278 C TYR A 22 8.160 0.786 -3.988 1.00 0.00 C ATOM 279 O TYR A 22 9.213 0.197 -3.839 1.00 0.00 O ATOM 280 CB TYR A 22 7.303 3.034 -3.262 1.00 0.00 C ATOM 281 CG TYR A 22 8.162 3.508 -2.114 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.768 4.769 -2.167 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.315 2.705 -0.980 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.529 5.226 -1.085 1.00 0.00 C ATOM 285 CE2 TYR A 22 9.079 3.156 0.101 1.00 0.00 C ATOM 286 CZ TYR A 22 9.686 4.419 0.050 1.00 0.00 C ATOM 287 OH TYR A 22 10.437 4.868 1.118 1.00 0.00 O ATOM 0 H TYR A 22 6.499 2.971 -5.545 1.00 0.00 H new ATOM 0 HA TYR A 22 9.139 2.650 -4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.808 3.891 -3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.520 2.380 -2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.648 5.389 -3.043 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.842 1.735 -0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.995 6.200 -1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.201 2.532 0.974 1.00 0.00 H new ATOM 0 HH TYR A 22 10.443 4.187 1.823 1.00 0.00 H new ATOM 297 N PHE A 23 7.009 0.179 -3.872 1.00 0.00 N ATOM 298 CA PHE A 23 6.916 -1.276 -3.548 1.00 0.00 C ATOM 299 C PHE A 23 6.787 -2.057 -4.854 1.00 0.00 C ATOM 300 O PHE A 23 5.763 -2.641 -5.133 1.00 0.00 O ATOM 301 CB PHE A 23 5.673 -1.525 -2.678 1.00 0.00 C ATOM 302 CG PHE A 23 5.967 -1.148 -1.245 1.00 0.00 C ATOM 303 CD1 PHE A 23 5.781 0.169 -0.811 1.00 0.00 C ATOM 304 CD2 PHE A 23 6.434 -2.117 -0.355 1.00 0.00 C ATOM 305 CE1 PHE A 23 6.064 0.518 0.514 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.716 -1.773 0.971 1.00 0.00 C ATOM 307 CZ PHE A 23 6.533 -0.454 1.406 1.00 0.00 C ATOM 0 H PHE A 23 6.108 0.642 -3.991 1.00 0.00 H new ATOM 0 HA PHE A 23 7.805 -1.598 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.833 -0.940 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.382 -2.574 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.418 0.918 -1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.578 -3.133 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.921 1.535 0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.075 -2.524 1.659 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.754 -0.187 2.429 1.00 0.00 H new ATOM 317 N ARG A 24 7.811 -2.049 -5.658 1.00 0.00 N ATOM 318 CA ARG A 24 7.759 -2.770 -6.967 1.00 0.00 C ATOM 319 C ARG A 24 7.167 -4.165 -6.796 1.00 0.00 C ATOM 320 O ARG A 24 7.870 -5.142 -6.638 1.00 0.00 O ATOM 321 CB ARG A 24 9.171 -2.858 -7.543 1.00 0.00 C ATOM 322 CG ARG A 24 9.559 -1.491 -8.154 1.00 0.00 C ATOM 323 CD ARG A 24 8.895 -1.276 -9.539 1.00 0.00 C ATOM 324 NE ARG A 24 9.936 -0.935 -10.565 1.00 0.00 N ATOM 325 CZ ARG A 24 10.825 0.001 -10.349 1.00 0.00 C ATOM 326 NH1 ARG A 24 10.791 0.702 -9.248 1.00 0.00 N ATOM 327 NH2 ARG A 24 11.739 0.247 -11.247 1.00 0.00 N ATOM 0 H ARG A 24 8.691 -1.571 -5.466 1.00 0.00 H new ATOM 0 HA ARG A 24 7.117 -2.219 -7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.879 -3.134 -6.761 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.218 -3.636 -8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.258 -0.691 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.643 -1.432 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.361 -2.178 -9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.159 -0.475 -9.477 1.00 0.00 H new ATOM 0 HE ARG A 24 9.951 -1.443 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.069 0.521 -8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.487 1.430 -9.085 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.759 -0.289 -12.114 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.433 0.976 -11.082 1.00 0.00 H new ATOM 341 N ILE A 25 5.864 -4.249 -6.846 1.00 0.00 N ATOM 342 CA ILE A 25 5.163 -5.559 -6.704 1.00 0.00 C ATOM 343 C ILE A 25 4.077 -5.626 -7.793 1.00 0.00 C ATOM 344 O ILE A 25 3.824 -4.657 -8.482 1.00 0.00 O ATOM 345 CB ILE A 25 4.563 -5.636 -5.262 1.00 0.00 C ATOM 346 CG1 ILE A 25 4.999 -6.939 -4.560 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.026 -5.554 -5.273 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.439 -6.794 -4.053 1.00 0.00 C ATOM 0 H ILE A 25 5.245 -3.450 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 25 5.833 -6.409 -6.833 1.00 0.00 H new ATOM 0 HB ILE A 25 4.948 -4.777 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.330 -7.157 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.929 -7.778 -5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.651 -5.611 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.715 -4.610 -5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.622 -6.382 -5.855 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.745 -7.715 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.103 -6.597 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.494 -5.966 -3.346 1.00 0.00 H new ATOM 360 N GLY A 26 3.432 -6.747 -7.952 1.00 0.00 N ATOM 361 CA GLY A 26 2.368 -6.846 -8.993 1.00 0.00 C ATOM 362 C GLY A 26 1.313 -5.759 -8.756 1.00 0.00 C ATOM 363 O GLY A 26 0.604 -5.771 -7.771 1.00 0.00 O ATOM 0 H GLY A 26 3.593 -7.596 -7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.805 -6.733 -9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.903 -7.831 -8.960 1.00 0.00 H new ATOM 367 N GLU A 27 1.200 -4.823 -9.656 1.00 0.00 N ATOM 368 CA GLU A 27 0.187 -3.740 -9.487 1.00 0.00 C ATOM 369 C GLU A 27 -1.175 -4.362 -9.147 1.00 0.00 C ATOM 370 O GLU A 27 -1.771 -4.082 -8.121 1.00 0.00 O ATOM 371 CB GLU A 27 0.067 -2.961 -10.804 1.00 0.00 C ATOM 372 CG GLU A 27 1.242 -1.988 -10.944 1.00 0.00 C ATOM 373 CD GLU A 27 1.393 -1.563 -12.407 1.00 0.00 C ATOM 374 OE1 GLU A 27 0.382 -1.468 -13.083 1.00 0.00 O ATOM 375 OE2 GLU A 27 2.517 -1.337 -12.826 1.00 0.00 O ATOM 0 H GLU A 27 1.765 -4.760 -10.503 1.00 0.00 H new ATOM 0 HA GLU A 27 0.494 -3.072 -8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.055 -3.653 -11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.875 -2.413 -10.828 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.077 -1.112 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.161 -2.461 -10.597 1.00 0.00 H new ATOM 382 N ASN A 28 -1.672 -5.192 -10.021 1.00 0.00 N ATOM 383 CA ASN A 28 -2.998 -5.835 -9.798 1.00 0.00 C ATOM 384 C ASN A 28 -2.970 -6.723 -8.554 1.00 0.00 C ATOM 385 O ASN A 28 -4.000 -7.042 -7.994 1.00 0.00 O ATOM 386 CB ASN A 28 -3.346 -6.692 -11.012 1.00 0.00 C ATOM 387 CG ASN A 28 -3.646 -5.787 -12.209 1.00 0.00 C ATOM 388 OD1 ASN A 28 -2.755 -5.166 -12.753 1.00 0.00 O ATOM 389 ND2 ASN A 28 -4.872 -5.685 -12.644 1.00 0.00 N ATOM 0 H ASN A 28 -1.210 -5.456 -10.891 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.745 -5.054 -9.654 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.518 -7.361 -11.247 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.210 -7.319 -10.792 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.082 -5.084 -13.441 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.620 -6.206 -12.187 1.00 0.00 H new ATOM 396 N LYS A 29 -1.815 -7.126 -8.105 1.00 0.00 N ATOM 397 CA LYS A 29 -1.769 -7.986 -6.893 1.00 0.00 C ATOM 398 C LYS A 29 -2.206 -7.141 -5.701 1.00 0.00 C ATOM 399 O LYS A 29 -3.125 -7.478 -4.982 1.00 0.00 O ATOM 400 CB LYS A 29 -0.337 -8.479 -6.674 1.00 0.00 C ATOM 401 CG LYS A 29 -0.297 -9.519 -5.540 1.00 0.00 C ATOM 402 CD LYS A 29 1.072 -9.474 -4.853 1.00 0.00 C ATOM 403 CE LYS A 29 1.282 -10.755 -4.049 1.00 0.00 C ATOM 404 NZ LYS A 29 2.623 -10.725 -3.399 1.00 0.00 N ATOM 0 H LYS A 29 -0.911 -6.900 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.426 -8.848 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.048 -8.919 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.311 -7.638 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.086 -9.314 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.482 -10.516 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.861 -9.366 -5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.133 -8.606 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.503 -10.853 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.203 -11.623 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.763 -11.598 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.361 -10.651 -4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.682 -9.905 -2.762 1.00 0.00 H new ATOM 418 N LEU A 30 -1.556 -6.032 -5.506 1.00 0.00 N ATOM 419 CA LEU A 30 -1.922 -5.125 -4.382 1.00 0.00 C ATOM 420 C LEU A 30 -3.441 -4.949 -4.336 1.00 0.00 C ATOM 421 O LEU A 30 -4.074 -5.174 -3.324 1.00 0.00 O ATOM 422 CB LEU A 30 -1.281 -3.760 -4.621 1.00 0.00 C ATOM 423 CG LEU A 30 0.250 -3.865 -4.537 1.00 0.00 C ATOM 424 CD1 LEU A 30 0.892 -2.672 -5.261 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.707 -3.864 -3.070 1.00 0.00 C ATOM 0 H LEU A 30 -0.778 -5.710 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.573 -5.552 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.573 -3.381 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.644 -3.046 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 30 0.560 -4.797 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.977 -2.750 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.587 -2.674 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.568 -1.744 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.794 -3.939 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.388 -2.939 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.264 -4.714 -2.550 1.00 0.00 H new ATOM 437 N ARG A 31 -4.029 -4.539 -5.426 1.00 0.00 N ATOM 438 CA ARG A 31 -5.506 -4.338 -5.445 1.00 0.00 C ATOM 439 C ARG A 31 -6.211 -5.598 -4.934 1.00 0.00 C ATOM 440 O ARG A 31 -6.939 -5.560 -3.962 1.00 0.00 O ATOM 441 CB ARG A 31 -5.962 -4.043 -6.873 1.00 0.00 C ATOM 442 CG ARG A 31 -7.403 -3.531 -6.850 1.00 0.00 C ATOM 443 CD ARG A 31 -7.941 -3.461 -8.279 1.00 0.00 C ATOM 444 NE ARG A 31 -9.233 -2.721 -8.286 1.00 0.00 N ATOM 445 CZ ARG A 31 -9.722 -2.271 -9.408 1.00 0.00 C ATOM 446 NH1 ARG A 31 -9.075 -2.466 -10.525 1.00 0.00 N ATOM 447 NH2 ARG A 31 -10.855 -1.624 -9.412 1.00 0.00 N ATOM 0 H ARG A 31 -3.551 -4.335 -6.304 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.761 -3.498 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.308 -3.300 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.894 -4.945 -7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.026 -4.192 -6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.443 -2.545 -6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.220 -2.962 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.083 -4.466 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.736 -2.566 -7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.188 -2.970 -10.519 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.456 -2.115 -11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.358 -1.470 -8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.238 -1.272 -10.289 1.00 0.00 H new ATOM 461 N ARG A 32 -6.008 -6.713 -5.582 1.00 0.00 N ATOM 462 CA ARG A 32 -6.676 -7.967 -5.131 1.00 0.00 C ATOM 463 C ARG A 32 -6.351 -8.227 -3.658 1.00 0.00 C ATOM 464 O ARG A 32 -7.149 -8.779 -2.928 1.00 0.00 O ATOM 465 CB ARG A 32 -6.182 -9.146 -5.979 1.00 0.00 C ATOM 466 CG ARG A 32 -6.544 -8.925 -7.458 1.00 0.00 C ATOM 467 CD ARG A 32 -8.000 -9.336 -7.726 1.00 0.00 C ATOM 468 NE ARG A 32 -8.228 -10.733 -7.259 1.00 0.00 N ATOM 469 CZ ARG A 32 -9.445 -11.177 -7.105 1.00 0.00 C ATOM 470 NH1 ARG A 32 -10.460 -10.396 -7.355 1.00 0.00 N ATOM 471 NH2 ARG A 32 -9.648 -12.401 -6.700 1.00 0.00 N ATOM 0 H ARG A 32 -5.410 -6.810 -6.402 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.754 -7.860 -5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.102 -9.252 -5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.630 -10.073 -5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.402 -7.876 -7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.874 -9.505 -8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.679 -8.656 -7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.218 -9.259 -8.791 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.434 -11.341 -7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.302 -9.439 -7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.412 -10.742 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.855 -13.011 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.600 -12.747 -6.580 1.00 0.00 H new ATOM 485 N LEU A 33 -5.186 -7.840 -3.216 1.00 0.00 N ATOM 486 CA LEU A 33 -4.816 -8.072 -1.790 1.00 0.00 C ATOM 487 C LEU A 33 -5.733 -7.235 -0.883 1.00 0.00 C ATOM 488 O LEU A 33 -6.134 -7.668 0.179 1.00 0.00 O ATOM 489 CB LEU A 33 -3.334 -7.665 -1.584 1.00 0.00 C ATOM 490 CG LEU A 33 -2.441 -8.908 -1.464 1.00 0.00 C ATOM 491 CD1 LEU A 33 -0.989 -8.525 -1.757 1.00 0.00 C ATOM 492 CD2 LEU A 33 -2.534 -9.473 -0.042 1.00 0.00 C ATOM 0 H LEU A 33 -4.475 -7.374 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.938 -9.125 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.001 -7.051 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.241 -7.056 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.774 -9.660 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.356 -9.408 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.916 -8.122 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.660 -7.772 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.899 -10.355 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.202 -8.719 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.567 -9.747 0.174 1.00 0.00 H new ATOM 504 N ALA A 34 -6.055 -6.038 -1.288 1.00 0.00 N ATOM 505 CA ALA A 34 -6.937 -5.168 -0.448 1.00 0.00 C ATOM 506 C ALA A 34 -8.406 -5.418 -0.801 1.00 0.00 C ATOM 507 O ALA A 34 -9.214 -5.740 0.048 1.00 0.00 O ATOM 508 CB ALA A 34 -6.604 -3.699 -0.719 1.00 0.00 C ATOM 0 H ALA A 34 -5.746 -5.620 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.772 -5.402 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.245 -3.062 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.560 -3.510 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.770 -3.477 -1.773 1.00 0.00 H new ATOM 514 N GLU A 35 -8.757 -5.255 -2.045 1.00 0.00 N ATOM 515 CA GLU A 35 -10.174 -5.460 -2.464 1.00 0.00 C ATOM 516 C GLU A 35 -10.718 -6.774 -1.892 1.00 0.00 C ATOM 517 O GLU A 35 -11.899 -6.905 -1.642 1.00 0.00 O ATOM 518 CB GLU A 35 -10.241 -5.502 -3.996 1.00 0.00 C ATOM 519 CG GLU A 35 -11.684 -5.295 -4.470 1.00 0.00 C ATOM 520 CD GLU A 35 -12.511 -6.542 -4.157 1.00 0.00 C ATOM 521 OE1 GLU A 35 -11.935 -7.616 -4.116 1.00 0.00 O ATOM 522 OE2 GLU A 35 -13.708 -6.402 -3.964 1.00 0.00 O ATOM 0 H GLU A 35 -8.120 -4.987 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.781 -4.638 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.598 -4.729 -4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.866 -6.460 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.118 -4.425 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.700 -5.095 -5.541 1.00 0.00 H new ATOM 529 N GLU A 36 -9.879 -7.754 -1.688 1.00 0.00 N ATOM 530 CA GLU A 36 -10.377 -9.054 -1.143 1.00 0.00 C ATOM 531 C GLU A 36 -10.487 -8.981 0.383 1.00 0.00 C ATOM 532 O GLU A 36 -11.253 -9.703 0.989 1.00 0.00 O ATOM 533 CB GLU A 36 -9.413 -10.179 -1.542 1.00 0.00 C ATOM 534 CG GLU A 36 -8.122 -10.078 -0.722 1.00 0.00 C ATOM 535 CD GLU A 36 -7.030 -10.940 -1.361 1.00 0.00 C ATOM 536 OE1 GLU A 36 -7.167 -11.275 -2.526 1.00 0.00 O ATOM 537 OE2 GLU A 36 -6.071 -11.250 -0.673 1.00 0.00 O ATOM 0 H GLU A 36 -8.877 -7.713 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.365 -9.258 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.884 -11.148 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.184 -10.113 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.794 -9.040 -0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.304 -10.406 0.301 1.00 0.00 H new ATOM 544 N ASN A 37 -9.722 -8.120 1.009 1.00 0.00 N ATOM 545 CA ASN A 37 -9.770 -7.999 2.503 1.00 0.00 C ATOM 546 C ASN A 37 -9.901 -6.526 2.893 1.00 0.00 C ATOM 547 O ASN A 37 -9.016 -5.952 3.495 1.00 0.00 O ATOM 548 CB ASN A 37 -8.480 -8.571 3.093 1.00 0.00 C ATOM 549 CG ASN A 37 -8.497 -10.095 2.965 1.00 0.00 C ATOM 550 OD1 ASN A 37 -9.542 -10.711 3.038 1.00 0.00 O ATOM 551 ND2 ASN A 37 -7.376 -10.734 2.773 1.00 0.00 N ATOM 0 H ASN A 37 -9.063 -7.492 0.549 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.627 -8.551 2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.615 -8.161 2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.387 -8.284 4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.377 -11.750 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.499 -10.217 2.712 1.00 0.00 H new ATOM 558 N LYS A 38 -11.005 -5.912 2.560 1.00 0.00 N ATOM 559 CA LYS A 38 -11.203 -4.477 2.917 1.00 0.00 C ATOM 560 C LYS A 38 -10.806 -4.252 4.379 1.00 0.00 C ATOM 561 O LYS A 38 -10.502 -3.150 4.789 1.00 0.00 O ATOM 562 CB LYS A 38 -12.679 -4.100 2.744 1.00 0.00 C ATOM 563 CG LYS A 38 -13.045 -4.025 1.252 1.00 0.00 C ATOM 564 CD LYS A 38 -13.137 -5.438 0.649 1.00 0.00 C ATOM 565 CE LYS A 38 -13.962 -5.398 -0.642 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.243 -4.588 -1.666 1.00 0.00 N ATOM 0 H LYS A 38 -11.779 -6.343 2.055 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.585 -3.861 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.309 -4.836 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.873 -3.139 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.997 -3.508 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.296 -3.442 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.138 -5.821 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.597 -6.120 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.126 -6.410 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.944 -4.967 -0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.912 -4.289 -2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.827 -3.748 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.488 -5.161 -2.094 1.00 0.00 H new ATOM 580 N ASN A 39 -10.826 -5.292 5.172 1.00 0.00 N ATOM 581 CA ASN A 39 -10.476 -5.158 6.616 1.00 0.00 C ATOM 582 C ASN A 39 -9.029 -5.593 6.854 1.00 0.00 C ATOM 583 O ASN A 39 -8.656 -5.952 7.954 1.00 0.00 O ATOM 584 CB ASN A 39 -11.408 -6.054 7.428 1.00 0.00 C ATOM 585 CG ASN A 39 -12.854 -5.589 7.244 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.169 -4.911 6.286 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.752 -5.926 8.128 1.00 0.00 N ATOM 0 H ASN A 39 -11.072 -6.237 4.877 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.585 -4.117 6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.305 -7.090 7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.135 -6.019 8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.719 -5.620 8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.488 -6.495 8.932 1.00 0.00 H new ATOM 594 N ALA A 40 -8.208 -5.566 5.842 1.00 0.00 N ATOM 595 CA ALA A 40 -6.789 -5.981 6.029 1.00 0.00 C ATOM 596 C ALA A 40 -6.162 -5.140 7.153 1.00 0.00 C ATOM 597 O ALA A 40 -6.507 -3.994 7.353 1.00 0.00 O ATOM 598 CB ALA A 40 -6.022 -5.774 4.705 1.00 0.00 C ATOM 0 H ALA A 40 -8.456 -5.276 4.896 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.737 -7.034 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.983 -6.076 4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.480 -6.378 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.061 -4.722 4.422 1.00 0.00 H new ATOM 604 N ASN A 41 -5.249 -5.700 7.893 1.00 0.00 N ATOM 605 CA ASN A 41 -4.604 -4.925 8.991 1.00 0.00 C ATOM 606 C ASN A 41 -3.514 -4.010 8.416 1.00 0.00 C ATOM 607 O ASN A 41 -2.861 -3.288 9.143 1.00 0.00 O ATOM 608 CB ASN A 41 -3.974 -5.894 9.994 1.00 0.00 C ATOM 609 CG ASN A 41 -3.559 -5.126 11.252 1.00 0.00 C ATOM 610 OD1 ASN A 41 -4.241 -5.169 12.256 1.00 0.00 O ATOM 611 ND2 ASN A 41 -2.462 -4.420 11.238 1.00 0.00 N ATOM 0 H ASN A 41 -4.920 -6.660 7.787 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.358 -4.316 9.490 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.684 -6.680 10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.106 -6.382 9.549 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.177 -3.904 12.070 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.889 -4.384 10.395 1.00 0.00 H new ATOM 618 N TRP A 42 -3.285 -4.059 7.120 1.00 0.00 N ATOM 619 CA TRP A 42 -2.201 -3.220 6.497 1.00 0.00 C ATOM 620 C TRP A 42 -2.769 -2.261 5.437 1.00 0.00 C ATOM 621 O TRP A 42 -2.099 -1.337 5.020 1.00 0.00 O ATOM 622 CB TRP A 42 -1.196 -4.156 5.825 1.00 0.00 C ATOM 623 CG TRP A 42 -1.950 -5.152 5.012 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.246 -6.412 5.404 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.525 -4.988 3.687 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.972 -7.031 4.403 1.00 0.00 N ATOM 627 CE2 TRP A 42 -3.169 -6.192 3.323 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.551 -3.918 2.774 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.818 -6.332 2.099 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.201 -4.055 1.539 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.836 -5.259 1.202 1.00 0.00 C ATOM 0 H TRP A 42 -3.803 -4.645 6.465 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.729 -2.624 7.278 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.514 -3.588 5.192 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.588 -4.661 6.575 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.962 -6.861 6.344 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.319 -7.989 4.455 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.068 -2.986 3.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.304 -7.262 1.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.213 -3.229 0.844 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.338 -5.358 0.251 1.00 0.00 H new ATOM 642 N LEU A 43 -3.979 -2.465 4.980 1.00 0.00 N ATOM 643 CA LEU A 43 -4.543 -1.555 3.933 1.00 0.00 C ATOM 644 C LEU A 43 -5.251 -0.369 4.600 1.00 0.00 C ATOM 645 O LEU A 43 -5.481 -0.361 5.793 1.00 0.00 O ATOM 646 CB LEU A 43 -5.504 -2.370 3.030 1.00 0.00 C ATOM 647 CG LEU A 43 -6.994 -2.286 3.474 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.157 -2.474 5.002 1.00 0.00 C ATOM 649 CD2 LEU A 43 -7.640 -0.945 3.021 1.00 0.00 C ATOM 0 H LEU A 43 -4.598 -3.217 5.283 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.747 -1.148 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.418 -2.011 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.192 -3.414 3.030 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.516 -3.107 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.212 -2.408 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.771 -3.451 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.602 -1.695 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.680 -0.915 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.097 -0.111 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.596 -0.869 1.935 1.00 0.00 H new ATOM 661 N ILE A 44 -5.563 0.649 3.837 1.00 0.00 N ATOM 662 CA ILE A 44 -6.224 1.857 4.402 1.00 0.00 C ATOM 663 C ILE A 44 -7.368 2.275 3.469 1.00 0.00 C ATOM 664 O ILE A 44 -7.150 2.675 2.343 1.00 0.00 O ATOM 665 CB ILE A 44 -5.172 2.976 4.478 1.00 0.00 C ATOM 666 CG1 ILE A 44 -4.222 2.745 5.671 1.00 0.00 C ATOM 667 CG2 ILE A 44 -5.849 4.341 4.600 1.00 0.00 C ATOM 668 CD1 ILE A 44 -4.980 2.738 7.011 1.00 0.00 C ATOM 0 H ILE A 44 -5.384 0.691 2.834 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.629 1.658 5.394 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.587 2.958 3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.701 1.796 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.462 3.526 5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.089 5.121 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.484 4.511 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.457 4.366 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.276 2.573 7.826 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.479 3.697 7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.722 1.940 7.005 1.00 0.00 H new ATOM 680 N MET A 45 -8.587 2.188 3.934 1.00 0.00 N ATOM 681 CA MET A 45 -9.751 2.582 3.083 1.00 0.00 C ATOM 682 C MET A 45 -10.115 4.044 3.378 1.00 0.00 C ATOM 683 O MET A 45 -10.115 4.481 4.511 1.00 0.00 O ATOM 684 CB MET A 45 -10.950 1.652 3.407 1.00 0.00 C ATOM 685 CG MET A 45 -11.208 0.669 2.254 1.00 0.00 C ATOM 686 SD MET A 45 -12.182 1.500 0.971 1.00 0.00 S ATOM 687 CE MET A 45 -11.779 0.406 -0.417 1.00 0.00 C ATOM 0 H MET A 45 -8.828 1.860 4.869 1.00 0.00 H new ATOM 0 HA MET A 45 -9.499 2.485 2.027 1.00 0.00 H new ATOM 0 HB2 MET A 45 -10.749 1.098 4.324 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.843 2.251 3.586 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.262 0.319 1.840 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.740 -0.209 2.620 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.262 0.974 -1.190 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.135 -0.402 -0.069 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.697 -0.014 -0.828 1.00 0.00 H new ATOM 697 N ASN A 46 -10.432 4.794 2.358 1.00 0.00 N ATOM 698 CA ASN A 46 -10.809 6.224 2.556 1.00 0.00 C ATOM 699 C ASN A 46 -11.789 6.625 1.455 1.00 0.00 C ATOM 700 O ASN A 46 -11.437 7.305 0.512 1.00 0.00 O ATOM 701 CB ASN A 46 -9.557 7.100 2.470 1.00 0.00 C ATOM 702 CG ASN A 46 -8.656 6.827 3.676 1.00 0.00 C ATOM 703 OD1 ASN A 46 -9.136 6.621 4.773 1.00 0.00 O ATOM 704 ND2 ASN A 46 -7.360 6.819 3.519 1.00 0.00 N ATOM 0 H ASN A 46 -10.446 4.476 1.389 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.271 6.357 3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.018 6.892 1.546 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.838 8.153 2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.751 6.640 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.957 6.992 2.598 1.00 0.00 H new ATOM 711 N GLY A 47 -13.017 6.195 1.561 1.00 0.00 N ATOM 712 CA GLY A 47 -14.020 6.535 0.515 1.00 0.00 C ATOM 713 C GLY A 47 -13.870 5.562 -0.645 1.00 0.00 C ATOM 714 O GLY A 47 -14.641 4.634 -0.797 1.00 0.00 O ATOM 0 H GLY A 47 -13.368 5.622 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.028 6.479 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.873 7.559 0.170 1.00 0.00 H new ATOM 718 N ASN A 48 -12.885 5.770 -1.472 1.00 0.00 N ATOM 719 CA ASN A 48 -12.682 4.864 -2.635 1.00 0.00 C ATOM 720 C ASN A 48 -11.192 4.789 -2.992 1.00 0.00 C ATOM 721 O ASN A 48 -10.814 4.165 -3.964 1.00 0.00 O ATOM 722 CB ASN A 48 -13.478 5.421 -3.817 1.00 0.00 C ATOM 723 CG ASN A 48 -13.705 4.322 -4.859 1.00 0.00 C ATOM 724 OD1 ASN A 48 -13.394 4.497 -6.020 1.00 0.00 O ATOM 725 ND2 ASN A 48 -14.237 3.189 -4.489 1.00 0.00 N ATOM 0 H ASN A 48 -12.210 6.531 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.024 3.858 -2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.436 5.809 -3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.940 6.255 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.392 2.450 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.498 3.042 -3.514 1.00 0.00 H new ATOM 732 N ARG A 49 -10.343 5.424 -2.220 1.00 0.00 N ATOM 733 CA ARG A 49 -8.875 5.400 -2.518 1.00 0.00 C ATOM 734 C ARG A 49 -8.162 4.447 -1.556 1.00 0.00 C ATOM 735 O ARG A 49 -8.035 4.716 -0.378 1.00 0.00 O ATOM 736 CB ARG A 49 -8.314 6.812 -2.342 1.00 0.00 C ATOM 737 CG ARG A 49 -8.947 7.748 -3.382 1.00 0.00 C ATOM 738 CD ARG A 49 -8.826 9.200 -2.916 1.00 0.00 C ATOM 739 NE ARG A 49 -9.079 10.109 -4.069 1.00 0.00 N ATOM 740 CZ ARG A 49 -9.321 11.376 -3.864 1.00 0.00 C ATOM 741 NH1 ARG A 49 -9.339 11.851 -2.649 1.00 0.00 N ATOM 742 NH2 ARG A 49 -9.544 12.167 -4.878 1.00 0.00 N ATOM 0 H ARG A 49 -10.604 5.960 -1.393 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.715 5.057 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.523 7.175 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.230 6.801 -2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.452 7.623 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.996 7.489 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.541 9.399 -2.118 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.832 9.381 -2.506 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.063 9.741 -5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.164 11.233 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.528 12.841 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.529 11.795 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.733 13.157 -4.721 1.00 0.00 H new ATOM 756 N ILE A 50 -7.687 3.337 -2.054 1.00 0.00 N ATOM 757 CA ILE A 50 -6.972 2.364 -1.177 1.00 0.00 C ATOM 758 C ILE A 50 -5.504 2.782 -1.053 1.00 0.00 C ATOM 759 O ILE A 50 -4.889 3.185 -2.022 1.00 0.00 O ATOM 760 CB ILE A 50 -7.050 0.970 -1.802 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.510 0.512 -1.844 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.234 -0.011 -0.961 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.626 -0.747 -2.705 1.00 0.00 C ATOM 0 H ILE A 50 -7.763 3.061 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.434 2.349 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.649 1.002 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.868 0.309 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.139 1.303 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.289 -1.005 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.194 0.315 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.636 -0.044 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.666 -1.073 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.285 -0.528 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.010 -1.538 -2.278 1.00 0.00 H new ATOM 775 N GLN A 51 -4.934 2.687 0.129 1.00 0.00 N ATOM 776 CA GLN A 51 -3.495 3.076 0.316 1.00 0.00 C ATOM 777 C GLN A 51 -2.759 1.967 1.084 1.00 0.00 C ATOM 778 O GLN A 51 -3.320 1.299 1.930 1.00 0.00 O ATOM 779 CB GLN A 51 -3.411 4.424 1.076 1.00 0.00 C ATOM 780 CG GLN A 51 -2.238 5.268 0.541 1.00 0.00 C ATOM 781 CD GLN A 51 -2.242 6.655 1.192 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.045 6.929 2.061 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.367 7.550 0.802 1.00 0.00 N ATOM 0 H GLN A 51 -5.403 2.357 0.972 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.018 3.200 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.345 4.973 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.279 4.240 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.294 4.764 0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.316 5.367 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.693 7.320 0.072 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.361 8.477 1.228 1.00 0.00 H new ATOM 792 N ILE A 52 -1.507 1.760 0.767 1.00 0.00 N ATOM 793 CA ILE A 52 -0.709 0.688 1.437 1.00 0.00 C ATOM 794 C ILE A 52 0.036 1.257 2.650 1.00 0.00 C ATOM 795 O ILE A 52 0.471 2.390 2.646 1.00 0.00 O ATOM 796 CB ILE A 52 0.324 0.153 0.442 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.348 -0.222 -0.897 1.00 0.00 C ATOM 798 CG2 ILE A 52 1.042 -1.057 1.040 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.312 -1.405 -0.744 1.00 0.00 C ATOM 0 H ILE A 52 -0.997 2.294 0.064 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.381 -0.104 1.766 1.00 0.00 H new ATOM 0 HB ILE A 52 1.056 0.936 0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.891 0.640 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.419 -0.472 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.776 -1.433 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.547 -0.762 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.315 -1.839 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.762 -1.635 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.765 -2.276 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.095 -1.146 -0.031 1.00 0.00 H new ATOM 811 N LYS A 53 0.202 0.471 3.686 1.00 0.00 N ATOM 812 CA LYS A 53 0.930 0.967 4.894 1.00 0.00 C ATOM 813 C LYS A 53 2.441 0.857 4.667 1.00 0.00 C ATOM 814 O LYS A 53 2.992 -0.218 4.563 1.00 0.00 O ATOM 815 CB LYS A 53 0.520 0.135 6.138 1.00 0.00 C ATOM 816 CG LYS A 53 -0.611 0.831 6.928 1.00 0.00 C ATOM 817 CD LYS A 53 -0.650 0.284 8.359 1.00 0.00 C ATOM 818 CE LYS A 53 -1.764 0.977 9.143 1.00 0.00 C ATOM 819 NZ LYS A 53 -3.070 0.742 8.466 1.00 0.00 N ATOM 0 H LYS A 53 -0.134 -0.490 3.747 1.00 0.00 H new ATOM 0 HA LYS A 53 0.669 2.011 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.191 -0.856 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.385 -0.007 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.447 1.909 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.569 0.661 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.819 -0.793 8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.310 0.449 8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.797 0.594 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.565 2.047 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.839 1.126 9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.071 1.215 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.213 -0.279 8.333 1.00 0.00 H new ATOM 833 N ARG A 54 3.111 1.971 4.612 1.00 0.00 N ATOM 834 CA ARG A 54 4.585 1.953 4.415 1.00 0.00 C ATOM 835 C ARG A 54 5.235 1.266 5.617 1.00 0.00 C ATOM 836 O ARG A 54 5.914 0.272 5.494 1.00 0.00 O ATOM 837 CB ARG A 54 5.084 3.396 4.334 1.00 0.00 C ATOM 838 CG ARG A 54 6.568 3.414 3.973 1.00 0.00 C ATOM 839 CD ARG A 54 7.074 4.857 4.003 1.00 0.00 C ATOM 840 NE ARG A 54 8.564 4.864 3.965 1.00 0.00 N ATOM 841 CZ ARG A 54 9.205 5.965 3.683 1.00 0.00 C ATOM 842 NH1 ARG A 54 8.543 7.059 3.423 1.00 0.00 N ATOM 843 NH2 ARG A 54 10.510 5.973 3.662 1.00 0.00 N ATOM 0 H ARG A 54 2.698 2.900 4.696 1.00 0.00 H new ATOM 0 HA ARG A 54 4.838 1.417 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.512 3.946 3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.927 3.898 5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.133 2.803 4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.719 2.983 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.676 5.411 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.721 5.359 4.904 1.00 0.00 H new ATOM 0 HE ARG A 54 9.083 4.008 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.523 7.054 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.045 7.919 3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.029 5.119 3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.011 6.834 3.442 1.00 0.00 H new ATOM 857 N LYS A 55 5.023 1.798 6.783 1.00 0.00 N ATOM 858 CA LYS A 55 5.615 1.198 8.011 1.00 0.00 C ATOM 859 C LYS A 55 5.421 -0.325 8.016 1.00 0.00 C ATOM 860 O LYS A 55 6.372 -1.080 7.958 1.00 0.00 O ATOM 861 CB LYS A 55 4.930 1.806 9.251 1.00 0.00 C ATOM 862 CG LYS A 55 3.377 1.806 9.091 1.00 0.00 C ATOM 863 CD LYS A 55 2.788 3.174 9.487 1.00 0.00 C ATOM 864 CE LYS A 55 3.054 4.214 8.385 1.00 0.00 C ATOM 865 NZ LYS A 55 3.166 5.565 9.002 1.00 0.00 N ATOM 0 H LYS A 55 4.459 2.633 6.942 1.00 0.00 H new ATOM 0 HA LYS A 55 6.683 1.413 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.207 1.238 10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.283 2.826 9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.113 1.576 8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.942 1.024 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.715 3.080 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.230 3.509 10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.972 3.968 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.246 4.201 7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.346 6.272 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.279 5.797 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.951 5.571 9.684 1.00 0.00 H new ATOM 879 N GLN A 56 4.201 -0.776 8.103 1.00 0.00 N ATOM 880 CA GLN A 56 3.931 -2.245 8.140 1.00 0.00 C ATOM 881 C GLN A 56 4.558 -2.957 6.936 1.00 0.00 C ATOM 882 O GLN A 56 5.334 -3.880 7.085 1.00 0.00 O ATOM 883 CB GLN A 56 2.417 -2.470 8.123 1.00 0.00 C ATOM 884 CG GLN A 56 2.101 -3.911 8.537 1.00 0.00 C ATOM 885 CD GLN A 56 2.227 -4.051 10.056 1.00 0.00 C ATOM 886 OE1 GLN A 56 1.314 -3.718 10.786 1.00 0.00 O ATOM 887 NE2 GLN A 56 3.328 -4.530 10.567 1.00 0.00 N ATOM 0 H GLN A 56 3.370 -0.186 8.151 1.00 0.00 H new ATOM 0 HA GLN A 56 4.372 -2.656 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.929 -1.771 8.803 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.022 -2.274 7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.093 -4.178 8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.784 -4.600 8.041 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.095 -4.810 9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.422 -4.625 11.578 1.00 0.00 H new ATOM 896 N PHE A 57 4.201 -2.563 5.747 1.00 0.00 N ATOM 897 CA PHE A 57 4.747 -3.246 4.537 1.00 0.00 C ATOM 898 C PHE A 57 6.269 -3.025 4.425 1.00 0.00 C ATOM 899 O PHE A 57 7.028 -3.967 4.314 1.00 0.00 O ATOM 900 CB PHE A 57 4.026 -2.696 3.287 1.00 0.00 C ATOM 901 CG PHE A 57 3.854 -3.794 2.246 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.951 -4.568 1.843 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.595 -4.027 1.678 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.789 -5.566 0.877 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.433 -5.029 0.714 1.00 0.00 C ATOM 906 CZ PHE A 57 3.529 -5.796 0.312 1.00 0.00 C ATOM 0 H PHE A 57 3.554 -1.797 5.558 1.00 0.00 H new ATOM 0 HA PHE A 57 4.574 -4.319 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.051 -2.297 3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.598 -1.871 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.923 -4.393 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.747 -3.432 1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.636 -6.160 0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.460 -5.209 0.281 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.404 -6.566 -0.435 1.00 0.00 H new ATOM 916 N GLU A 58 6.711 -1.794 4.430 1.00 0.00 N ATOM 917 CA GLU A 58 8.179 -1.500 4.303 1.00 0.00 C ATOM 918 C GLU A 58 9.014 -2.509 5.096 1.00 0.00 C ATOM 919 O GLU A 58 10.131 -2.820 4.730 1.00 0.00 O ATOM 920 CB GLU A 58 8.472 -0.093 4.840 1.00 0.00 C ATOM 921 CG GLU A 58 9.964 0.239 4.665 1.00 0.00 C ATOM 922 CD GLU A 58 10.775 -0.373 5.813 1.00 0.00 C ATOM 923 OE1 GLU A 58 10.424 -0.128 6.955 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.732 -1.074 5.529 1.00 0.00 O ATOM 0 H GLU A 58 6.116 -0.970 4.517 1.00 0.00 H new ATOM 0 HA GLU A 58 8.445 -1.569 3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.864 0.641 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.199 -0.033 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.321 -0.147 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.105 1.320 4.645 1.00 0.00 H new ATOM 931 N LYS A 59 8.503 -3.014 6.182 1.00 0.00 N ATOM 932 CA LYS A 59 9.306 -3.978 6.985 1.00 0.00 C ATOM 933 C LYS A 59 9.464 -5.285 6.208 1.00 0.00 C ATOM 934 O LYS A 59 10.485 -5.939 6.287 1.00 0.00 O ATOM 935 CB LYS A 59 8.581 -4.262 8.331 1.00 0.00 C ATOM 936 CG LYS A 59 9.381 -3.703 9.524 1.00 0.00 C ATOM 937 CD LYS A 59 9.223 -2.172 9.602 1.00 0.00 C ATOM 938 CE LYS A 59 7.972 -1.809 10.412 1.00 0.00 C ATOM 939 NZ LYS A 59 7.905 -0.329 10.580 1.00 0.00 N ATOM 0 H LYS A 59 7.574 -2.805 6.547 1.00 0.00 H new ATOM 0 HA LYS A 59 10.290 -3.552 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.588 -3.813 8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.444 -5.336 8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.032 -4.159 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.434 -3.962 9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.106 -1.731 10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.148 -1.755 8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.078 -2.169 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.002 -2.296 11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.368 -0.101 11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.868 0.055 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.432 0.093 9.756 1.00 0.00 H new ATOM 953 N ILE A 60 8.451 -5.689 5.489 1.00 0.00 N ATOM 954 CA ILE A 60 8.528 -6.979 4.741 1.00 0.00 C ATOM 955 C ILE A 60 8.814 -6.757 3.251 1.00 0.00 C ATOM 956 O ILE A 60 8.349 -7.503 2.419 1.00 0.00 O ATOM 957 CB ILE A 60 7.202 -7.726 4.894 1.00 0.00 C ATOM 958 CG1 ILE A 60 6.044 -6.787 4.556 1.00 0.00 C ATOM 959 CG2 ILE A 60 7.055 -8.210 6.339 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.721 -7.550 4.653 1.00 0.00 C ATOM 0 H ILE A 60 7.572 -5.181 5.387 1.00 0.00 H new ATOM 0 HA ILE A 60 9.349 -7.563 5.157 1.00 0.00 H new ATOM 0 HB ILE A 60 7.187 -8.580 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.038 -5.939 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.170 -6.384 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.110 -8.743 6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.880 -8.879 6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.070 -7.353 7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.896 -6.880 4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.729 -8.383 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.594 -7.931 5.666 1.00 0.00 H new ATOM 972 N ILE A 61 9.575 -5.758 2.885 1.00 0.00 N ATOM 973 CA ILE A 61 9.857 -5.563 1.424 1.00 0.00 C ATOM 974 C ILE A 61 11.013 -6.481 0.998 1.00 0.00 C ATOM 975 O ILE A 61 11.073 -6.934 -0.127 1.00 0.00 O ATOM 976 CB ILE A 61 10.223 -4.097 1.140 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.613 -3.919 -0.342 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.405 -3.686 2.016 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.523 -4.482 -1.259 1.00 0.00 C ATOM 0 H ILE A 61 10.006 -5.081 3.515 1.00 0.00 H new ATOM 0 HA ILE A 61 8.963 -5.815 0.854 1.00 0.00 H new ATOM 0 HB ILE A 61 9.358 -3.472 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.767 -2.862 -0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.558 -4.426 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.664 -2.647 1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 61 11.135 -3.795 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.261 -4.323 1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.817 -4.347 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.389 -5.544 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.586 -3.956 -1.076 1.00 0.00 H new ATOM 991 N ASP A 62 11.933 -6.764 1.888 1.00 0.00 N ATOM 992 CA ASP A 62 13.086 -7.654 1.529 1.00 0.00 C ATOM 993 C ASP A 62 12.804 -9.090 1.986 1.00 0.00 C ATOM 994 O ASP A 62 13.568 -9.997 1.723 1.00 0.00 O ATOM 995 CB ASP A 62 14.350 -7.147 2.227 1.00 0.00 C ATOM 996 CG ASP A 62 15.576 -7.833 1.621 1.00 0.00 C ATOM 997 OD1 ASP A 62 15.607 -7.986 0.411 1.00 0.00 O ATOM 998 OD2 ASP A 62 16.462 -8.195 2.378 1.00 0.00 O ATOM 0 H ASP A 62 11.937 -6.418 2.848 1.00 0.00 H new ATOM 0 HA ASP A 62 13.224 -7.641 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.432 -6.066 2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.296 -7.353 3.296 1.00 0.00 H new ATOM 1003 N THR A 63 11.715 -9.301 2.672 1.00 0.00 N ATOM 1004 CA THR A 63 11.376 -10.674 3.159 1.00 0.00 C ATOM 1005 C THR A 63 10.611 -11.420 2.064 1.00 0.00 C ATOM 1006 O THR A 63 10.434 -12.621 2.124 1.00 0.00 O ATOM 1007 CB THR A 63 10.527 -10.532 4.444 1.00 0.00 C ATOM 1008 OG1 THR A 63 11.309 -10.919 5.563 1.00 0.00 O ATOM 1009 CG2 THR A 63 9.244 -11.382 4.414 1.00 0.00 C ATOM 0 H THR A 63 11.039 -8.578 2.919 1.00 0.00 H new ATOM 0 HA THR A 63 12.275 -11.245 3.389 1.00 0.00 H new ATOM 0 HB THR A 63 10.223 -9.488 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.777 -10.829 6.381 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.691 -11.240 5.343 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.624 -11.075 3.572 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.507 -12.434 4.306 1.00 0.00 H new ATOM 1017 N LEU A 64 10.140 -10.719 1.079 1.00 0.00 N ATOM 1018 CA LEU A 64 9.368 -11.394 0.006 1.00 0.00 C ATOM 1019 C LEU A 64 10.335 -12.176 -0.891 1.00 0.00 C ATOM 1020 O LEU A 64 10.929 -13.152 -0.478 1.00 0.00 O ATOM 1021 CB LEU A 64 8.597 -10.356 -0.837 1.00 0.00 C ATOM 1022 CG LEU A 64 8.224 -9.115 -0.006 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.551 -8.090 -0.918 1.00 0.00 C ATOM 1024 CD2 LEU A 64 7.261 -9.496 1.134 1.00 0.00 C ATOM 0 H LEU A 64 10.255 -9.711 0.969 1.00 0.00 H new ATOM 0 HA LEU A 64 8.648 -12.077 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.206 -10.054 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.692 -10.812 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 64 9.130 -8.694 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.283 -7.207 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.238 -7.806 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.651 -8.525 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.009 -8.606 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.352 -9.926 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.740 -10.226 1.786 1.00 0.00 H new