USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 1 LEU N :NH3+ -120:sc= -0.0882 (180deg=-1.27!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.209 USER MOD Single : A 6 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.8) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.184) USER MOD Single : A 15 TYR OH : rot -5:sc= 0.807 USER MOD Single : A 16 GLN :FLIP amide:sc= -3.21! C(o=-6.2!,f=-3.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.98 X(o=-2,f=-1.9) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 170:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.252 USER MOD Single : A 31 THR OG1 : rot -150:sc= -0.377 USER MOD Single : A 32 SER OG : rot 180:sc= -0.487 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -89:sc= -0.904 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -19:sc= -2.97 USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= -0.118 (180deg=-0.894) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= -5.28! (180deg=-5.28!) USER MOD Single : A 64 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 69 THR OG1 : rot 130:sc= -1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.816 -9.701 -17.014 1.00 0.00 N ATOM 2 CA LEU A 1 12.837 -9.482 -15.950 1.00 0.00 C ATOM 3 C LEU A 1 14.146 -9.028 -16.587 1.00 0.00 C ATOM 4 O LEU A 1 14.810 -9.791 -17.289 1.00 0.00 O ATOM 5 CB LEU A 1 13.067 -10.788 -15.188 1.00 0.00 C ATOM 6 CG LEU A 1 12.138 -10.842 -13.974 1.00 0.00 C ATOM 7 CD1 LEU A 1 10.801 -11.465 -14.379 1.00 0.00 C ATOM 8 CD2 LEU A 1 12.784 -11.691 -12.877 1.00 0.00 C ATOM 0 H1 LEU A 1 11.004 -9.072 -16.851 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.233 -9.493 -17.944 1.00 0.00 H new ATOM 0 H3 LEU A 1 11.497 -10.691 -16.991 1.00 0.00 H new ATOM 0 HA LEU A 1 12.484 -8.716 -15.260 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.879 -11.640 -15.841 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.106 -10.856 -14.867 1.00 0.00 H new ATOM 0 HG LEU A 1 11.969 -9.832 -13.602 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.140 -11.503 -13.513 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.340 -10.861 -15.161 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.969 -12.475 -14.752 1.00 0.00 H new ATOM 0 HD21 LEU A 1 12.123 -11.731 -12.011 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.953 -12.701 -13.251 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.736 -11.247 -12.587 1.00 0.00 H new ATOM 22 N GLY A 2 14.510 -7.774 -16.333 1.00 0.00 N ATOM 23 CA GLY A 2 15.744 -7.223 -16.886 1.00 0.00 C ATOM 24 C GLY A 2 15.451 -6.365 -18.113 1.00 0.00 C ATOM 25 O GLY A 2 16.252 -6.291 -19.043 1.00 0.00 O ATOM 0 H GLY A 2 13.975 -7.126 -15.754 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.251 -6.623 -16.130 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.421 -8.034 -17.156 1.00 0.00 H new ATOM 29 N ALA A 3 14.289 -5.716 -18.102 1.00 0.00 N ATOM 30 CA ALA A 3 13.894 -4.863 -19.218 1.00 0.00 C ATOM 31 C ALA A 3 13.312 -3.549 -18.706 1.00 0.00 C ATOM 32 O ALA A 3 13.747 -2.467 -19.096 1.00 0.00 O ATOM 33 CB ALA A 3 12.849 -5.566 -20.087 1.00 0.00 C ATOM 0 H ALA A 3 13.611 -5.764 -17.341 1.00 0.00 H new ATOM 0 HA ALA A 3 14.783 -4.658 -19.814 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.566 -4.915 -20.914 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.267 -6.492 -20.481 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.968 -5.792 -19.486 1.00 0.00 H new ATOM 39 N SER A 4 12.322 -3.658 -17.825 1.00 0.00 N ATOM 40 CA SER A 4 11.683 -2.473 -17.260 1.00 0.00 C ATOM 41 C SER A 4 10.643 -2.872 -16.219 1.00 0.00 C ATOM 42 O SER A 4 10.833 -2.668 -15.020 1.00 0.00 O ATOM 43 CB SER A 4 11.003 -1.657 -18.360 1.00 0.00 C ATOM 44 OG SER A 4 10.264 -2.531 -19.203 1.00 0.00 O ATOM 0 H SER A 4 11.947 -4.545 -17.489 1.00 0.00 H new ATOM 0 HA SER A 4 12.456 -1.868 -16.785 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.341 -0.912 -17.919 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.749 -1.116 -18.942 1.00 0.00 H new ATOM 0 HG SER A 4 9.825 -2.011 -19.909 1.00 0.00 H new ATOM 50 N TRP A 5 9.542 -3.441 -16.694 1.00 0.00 N ATOM 51 CA TRP A 5 8.469 -3.869 -15.800 1.00 0.00 C ATOM 52 C TRP A 5 7.718 -5.054 -16.401 1.00 0.00 C ATOM 53 O TRP A 5 7.221 -4.988 -17.525 1.00 0.00 O ATOM 54 CB TRP A 5 7.483 -2.720 -15.559 1.00 0.00 C ATOM 55 CG TRP A 5 7.854 -1.993 -14.305 1.00 0.00 C ATOM 56 CD1 TRP A 5 8.268 -0.706 -14.247 1.00 0.00 C ATOM 57 CD2 TRP A 5 7.854 -2.486 -12.935 1.00 0.00 C ATOM 58 NE1 TRP A 5 8.521 -0.378 -12.927 1.00 0.00 N ATOM 59 CE2 TRP A 5 8.281 -1.442 -12.080 1.00 0.00 C ATOM 60 CE3 TRP A 5 7.527 -3.726 -12.357 1.00 0.00 C ATOM 61 CZ2 TRP A 5 8.380 -1.622 -10.700 1.00 0.00 C ATOM 62 CZ3 TRP A 5 7.626 -3.911 -10.967 1.00 0.00 C ATOM 63 CH2 TRP A 5 8.052 -2.861 -10.141 1.00 0.00 C ATOM 0 H TRP A 5 9.368 -3.616 -17.684 1.00 0.00 H new ATOM 0 HA TRP A 5 8.917 -4.166 -14.852 1.00 0.00 H new ATOM 0 HB2 TRP A 5 7.495 -2.034 -16.406 1.00 0.00 H new ATOM 0 HB3 TRP A 5 6.468 -3.109 -15.479 1.00 0.00 H new ATOM 0 HD1 TRP A 5 8.382 -0.044 -15.092 1.00 0.00 H new ATOM 0 HE1 TRP A 5 8.845 0.538 -12.617 1.00 0.00 H new ATOM 0 HE3 TRP A 5 7.198 -4.541 -12.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 8.708 -0.810 -10.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 7.373 -4.867 -10.533 1.00 0.00 H new ATOM 0 HH2 TRP A 5 8.127 -3.009 -9.074 1.00 0.00 H new ATOM 74 N HIS A 6 7.643 -6.139 -15.635 1.00 0.00 N ATOM 75 CA HIS A 6 6.950 -7.338 -16.098 1.00 0.00 C ATOM 76 C HIS A 6 6.687 -8.285 -14.930 1.00 0.00 C ATOM 77 O HIS A 6 7.480 -8.375 -13.994 1.00 0.00 O ATOM 78 CB HIS A 6 7.785 -8.068 -17.152 1.00 0.00 C ATOM 79 CG HIS A 6 7.446 -7.537 -18.518 1.00 0.00 C ATOM 80 ND1 HIS A 6 6.141 -7.450 -18.974 1.00 0.00 N ATOM 81 CD2 HIS A 6 8.232 -7.061 -19.537 1.00 0.00 C ATOM 82 CE1 HIS A 6 6.179 -6.938 -20.219 1.00 0.00 C ATOM 83 NE2 HIS A 6 7.430 -6.684 -20.610 1.00 0.00 N ATOM 0 H HIS A 6 8.048 -6.213 -14.702 1.00 0.00 H new ATOM 0 HA HIS A 6 6.002 -7.029 -16.538 1.00 0.00 H new ATOM 0 HB2 HIS A 6 8.847 -7.929 -16.950 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.589 -9.139 -17.108 1.00 0.00 H new ATOM 0 HD2 HIS A 6 9.309 -6.990 -19.510 1.00 0.00 H new ATOM 0 HE1 HIS A 6 5.305 -6.755 -20.826 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.733 -6.297 -21.504 1.00 0.00 H new ATOM 91 N ARG A 7 5.561 -8.991 -14.999 1.00 0.00 N ATOM 92 CA ARG A 7 5.195 -9.933 -13.944 1.00 0.00 C ATOM 93 C ARG A 7 5.045 -9.202 -12.600 1.00 0.00 C ATOM 94 O ARG A 7 5.808 -9.447 -11.662 1.00 0.00 O ATOM 95 CB ARG A 7 6.254 -11.032 -13.814 1.00 0.00 C ATOM 96 CG ARG A 7 5.736 -12.137 -12.894 1.00 0.00 C ATOM 97 CD ARG A 7 5.077 -13.234 -13.732 1.00 0.00 C ATOM 98 NE ARG A 7 4.590 -14.317 -12.874 1.00 0.00 N ATOM 99 CZ ARG A 7 3.704 -15.226 -13.308 1.00 0.00 C ATOM 100 NH1 ARG A 7 3.229 -15.184 -14.530 1.00 0.00 N ATOM 101 NH2 ARG A 7 3.305 -16.169 -12.499 1.00 0.00 N ATOM 0 H ARG A 7 4.892 -8.930 -15.766 1.00 0.00 H new ATOM 0 HA ARG A 7 4.241 -10.388 -14.212 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.489 -11.443 -14.796 1.00 0.00 H new ATOM 0 HB3 ARG A 7 7.178 -10.615 -13.414 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.557 -12.554 -12.311 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.018 -11.727 -12.184 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.248 -12.815 -14.303 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.793 -13.628 -14.453 1.00 0.00 H new ATOM 0 HE ARG A 7 4.935 -14.382 -11.916 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.533 -14.450 -15.170 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.556 -15.885 -14.840 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.667 -16.210 -11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.632 -16.865 -12.820 1.00 0.00 H new ATOM 115 N PRO A 8 4.061 -8.294 -12.485 1.00 0.00 N ATOM 116 CA PRO A 8 3.839 -7.541 -11.236 1.00 0.00 C ATOM 117 C PRO A 8 3.017 -8.327 -10.217 1.00 0.00 C ATOM 118 O PRO A 8 2.286 -9.253 -10.567 1.00 0.00 O ATOM 119 CB PRO A 8 3.067 -6.323 -11.726 1.00 0.00 C ATOM 120 CG PRO A 8 2.390 -6.716 -13.035 1.00 0.00 C ATOM 121 CD PRO A 8 3.115 -7.954 -13.574 1.00 0.00 C ATOM 0 HA PRO A 8 4.768 -7.307 -10.716 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.327 -6.014 -10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.738 -5.478 -11.878 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.334 -6.931 -12.871 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.441 -5.898 -13.754 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.422 -8.771 -13.775 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.636 -7.741 -14.508 1.00 0.00 H new ATOM 129 N ASP A 9 3.149 -7.946 -8.949 1.00 0.00 N ATOM 130 CA ASP A 9 2.415 -8.619 -7.881 1.00 0.00 C ATOM 131 C ASP A 9 1.146 -7.846 -7.539 1.00 0.00 C ATOM 132 O ASP A 9 1.196 -6.670 -7.178 1.00 0.00 O ATOM 133 CB ASP A 9 3.282 -8.735 -6.625 1.00 0.00 C ATOM 134 CG ASP A 9 2.744 -9.851 -5.737 1.00 0.00 C ATOM 135 OD1 ASP A 9 1.534 -9.988 -5.658 1.00 0.00 O ATOM 136 OD2 ASP A 9 3.550 -10.551 -5.147 1.00 0.00 O ATOM 0 H ASP A 9 3.751 -7.183 -8.638 1.00 0.00 H new ATOM 0 HA ASP A 9 2.150 -9.617 -8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.316 -8.942 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.281 -7.790 -6.081 1.00 0.00 H new ATOM 141 N LYS A 10 0.006 -8.520 -7.661 1.00 0.00 N ATOM 142 CA LYS A 10 -1.276 -7.886 -7.365 1.00 0.00 C ATOM 143 C LYS A 10 -1.746 -8.261 -5.963 1.00 0.00 C ATOM 144 O LYS A 10 -1.727 -7.440 -5.045 1.00 0.00 O ATOM 145 CB LYS A 10 -2.336 -8.318 -8.381 1.00 0.00 C ATOM 146 CG LYS A 10 -2.146 -7.535 -9.682 1.00 0.00 C ATOM 147 CD LYS A 10 -2.871 -6.192 -9.581 1.00 0.00 C ATOM 148 CE LYS A 10 -3.163 -5.662 -10.985 1.00 0.00 C ATOM 149 NZ LYS A 10 -1.883 -5.505 -11.731 1.00 0.00 N ATOM 0 H LYS A 10 -0.058 -9.493 -7.959 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.138 -6.806 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.256 -9.388 -8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.334 -8.140 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.084 -7.374 -9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.535 -8.108 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.801 -6.310 -9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.259 -5.477 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.823 -6.348 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.681 -4.705 -10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.046 -4.932 -12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.183 -5.032 -11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.525 -6.442 -12.007 1.00 0.00 H new ATOM 163 N CYS A 11 -2.170 -9.511 -5.810 1.00 0.00 N ATOM 164 CA CYS A 11 -2.648 -9.993 -4.517 1.00 0.00 C ATOM 165 C CYS A 11 -1.533 -9.926 -3.478 1.00 0.00 C ATOM 166 O CYS A 11 -0.435 -9.440 -3.752 1.00 0.00 O ATOM 167 CB CYS A 11 -3.125 -11.445 -4.620 1.00 0.00 C ATOM 168 SG CYS A 11 -4.297 -11.627 -5.994 1.00 0.00 S ATOM 0 H CYS A 11 -2.193 -10.204 -6.558 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.478 -9.355 -4.215 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.271 -12.106 -4.771 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.599 -11.746 -3.686 1.00 0.00 H new ATOM 173 N CYS A 12 -1.830 -10.429 -2.283 1.00 0.00 N ATOM 174 CA CYS A 12 -0.853 -10.440 -1.194 1.00 0.00 C ATOM 175 C CYS A 12 -1.479 -11.023 0.068 1.00 0.00 C ATOM 176 O CYS A 12 -2.531 -10.571 0.521 1.00 0.00 O ATOM 177 CB CYS A 12 -0.344 -9.025 -0.895 1.00 0.00 C ATOM 178 SG CYS A 12 -1.744 -7.921 -0.590 1.00 0.00 S ATOM 0 H CYS A 12 -2.735 -10.833 -2.043 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.012 -11.058 -1.508 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.314 -9.041 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.246 -8.656 -1.734 1.00 0.00 H new ATOM 183 N LEU A 13 -0.824 -12.036 0.628 1.00 0.00 N ATOM 184 CA LEU A 13 -1.327 -12.682 1.840 1.00 0.00 C ATOM 185 C LEU A 13 -0.822 -11.982 3.107 1.00 0.00 C ATOM 186 O LEU A 13 -0.985 -12.497 4.213 1.00 0.00 O ATOM 187 CB LEU A 13 -0.888 -14.145 1.879 1.00 0.00 C ATOM 188 CG LEU A 13 -1.757 -15.106 1.063 1.00 0.00 C ATOM 189 CD1 LEU A 13 -1.467 -14.916 -0.426 1.00 0.00 C ATOM 190 CD2 LEU A 13 -1.436 -16.547 1.465 1.00 0.00 C ATOM 0 H LEU A 13 0.047 -12.425 0.268 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.415 -12.615 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.138 -14.210 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.881 -14.478 2.917 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.809 -14.899 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.085 -15.600 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.694 -13.889 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.415 -15.123 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.054 -17.233 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.384 -16.753 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.642 -16.683 2.527 1.00 0.00 H new ATOM 202 N GLY A 14 -0.213 -10.806 2.947 1.00 0.00 N ATOM 203 CA GLY A 14 0.297 -10.065 4.095 1.00 0.00 C ATOM 204 C GLY A 14 0.271 -8.567 3.821 1.00 0.00 C ATOM 205 O GLY A 14 0.373 -8.130 2.675 1.00 0.00 O ATOM 0 H GLY A 14 -0.064 -10.353 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.304 -10.289 4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.316 -10.382 4.316 1.00 0.00 H new ATOM 209 N TYR A 15 0.132 -7.786 4.886 1.00 0.00 N ATOM 210 CA TYR A 15 0.093 -6.333 4.749 1.00 0.00 C ATOM 211 C TYR A 15 1.356 -5.710 5.333 1.00 0.00 C ATOM 212 O TYR A 15 2.261 -6.412 5.783 1.00 0.00 O ATOM 213 CB TYR A 15 -1.131 -5.760 5.466 1.00 0.00 C ATOM 214 CG TYR A 15 -2.384 -6.246 4.778 1.00 0.00 C ATOM 215 CD1 TYR A 15 -2.891 -5.549 3.675 1.00 0.00 C ATOM 216 CD2 TYR A 15 -3.036 -7.395 5.240 1.00 0.00 C ATOM 217 CE1 TYR A 15 -4.051 -6.001 3.035 1.00 0.00 C ATOM 218 CE2 TYR A 15 -4.196 -7.846 4.600 1.00 0.00 C ATOM 219 CZ TYR A 15 -4.703 -7.149 3.497 1.00 0.00 C ATOM 220 OH TYR A 15 -5.847 -7.594 2.865 1.00 0.00 O ATOM 0 H TYR A 15 0.045 -8.128 5.843 1.00 0.00 H new ATOM 0 HA TYR A 15 0.031 -6.095 3.687 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.133 -6.069 6.511 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.096 -4.671 5.456 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.387 -4.663 3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.644 -7.933 6.090 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.443 -5.463 2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.700 -8.732 4.957 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.108 -6.953 2.171 1.00 0.00 H new ATOM 230 N GLN A 16 1.408 -4.381 5.315 1.00 0.00 N ATOM 231 CA GLN A 16 2.570 -3.665 5.839 1.00 0.00 C ATOM 232 C GLN A 16 2.791 -3.989 7.311 1.00 0.00 C ATOM 233 O GLN A 16 3.884 -4.389 7.711 1.00 0.00 O ATOM 234 CB GLN A 16 2.380 -2.146 5.686 1.00 0.00 C ATOM 235 CG GLN A 16 3.628 -1.385 6.170 1.00 0.00 C ATOM 236 CD GLN A 16 4.882 -1.899 5.466 1.00 0.00 C ATOM 237 OE1 GLN A 16 5.423 -1.189 4.518 1.00 0.00 O flip ATOM 238 NE2 GLN A 16 5.385 -2.976 5.789 1.00 0.00 N flip ATOM 0 H GLN A 16 0.668 -3.782 4.948 1.00 0.00 H new ATOM 0 HA GLN A 16 3.440 -3.986 5.267 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.183 -1.903 4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.509 -1.825 6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.508 -0.319 5.976 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.736 -1.503 7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.963 -3.534 6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.224 -3.310 5.314 1.00 0.00 H new ATOM 247 N LYS A 17 1.737 -3.783 8.110 1.00 0.00 N ATOM 248 CA LYS A 17 1.773 -4.020 9.567 1.00 0.00 C ATOM 249 C LYS A 17 2.266 -2.773 10.303 1.00 0.00 C ATOM 250 O LYS A 17 1.715 -2.393 11.336 1.00 0.00 O ATOM 251 CB LYS A 17 2.657 -5.217 9.954 1.00 0.00 C ATOM 252 CG LYS A 17 2.147 -5.826 11.261 1.00 0.00 C ATOM 253 CD LYS A 17 2.436 -7.328 11.271 1.00 0.00 C ATOM 254 CE LYS A 17 3.789 -7.584 11.938 1.00 0.00 C ATOM 255 NZ LYS A 17 4.859 -7.601 10.901 1.00 0.00 N ATOM 0 H LYS A 17 0.835 -3.448 7.771 1.00 0.00 H new ATOM 0 HA LYS A 17 0.750 -4.251 9.864 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.642 -5.965 9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.692 -4.896 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.631 -5.346 12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.076 -5.650 11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.648 -7.857 11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.442 -7.715 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.995 -6.809 12.676 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.770 -8.534 12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.779 -7.775 11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.664 -8.356 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.882 -6.684 10.411 1.00 0.00 H new ATOM 269 N ARG A 18 3.301 -2.133 9.761 1.00 0.00 N ATOM 270 CA ARG A 18 3.842 -0.926 10.378 1.00 0.00 C ATOM 271 C ARG A 18 3.346 0.314 9.627 1.00 0.00 C ATOM 272 O ARG A 18 3.132 0.263 8.417 1.00 0.00 O ATOM 273 CB ARG A 18 5.373 -0.949 10.351 1.00 0.00 C ATOM 274 CG ARG A 18 5.855 -1.189 8.919 1.00 0.00 C ATOM 275 CD ARG A 18 7.351 -0.888 8.828 1.00 0.00 C ATOM 276 NE ARG A 18 8.128 -1.906 9.539 1.00 0.00 N ATOM 277 CZ ARG A 18 9.407 -1.709 9.893 1.00 0.00 C ATOM 278 NH1 ARG A 18 10.025 -0.586 9.615 1.00 0.00 N ATOM 279 NH2 ARG A 18 10.048 -2.653 10.525 1.00 0.00 N ATOM 0 H ARG A 18 3.776 -2.426 8.907 1.00 0.00 H new ATOM 0 HA ARG A 18 3.502 -0.890 11.413 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.768 -0.005 10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.747 -1.734 11.008 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.662 -2.221 8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.303 -0.554 8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.657 -0.854 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.556 0.095 9.252 1.00 0.00 H new ATOM 0 HE ARG A 18 7.682 -2.793 9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.533 0.158 9.121 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.998 -0.457 9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.577 -3.530 10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.021 -2.514 10.799 1.00 0.00 H new ATOM 293 N PRO A 19 3.149 1.445 10.324 1.00 0.00 N ATOM 294 CA PRO A 19 2.668 2.678 9.676 1.00 0.00 C ATOM 295 C PRO A 19 3.784 3.472 9.001 1.00 0.00 C ATOM 296 O PRO A 19 4.814 3.767 9.607 1.00 0.00 O ATOM 297 CB PRO A 19 2.076 3.449 10.847 1.00 0.00 C ATOM 298 CG PRO A 19 2.750 2.931 12.114 1.00 0.00 C ATOM 299 CD PRO A 19 3.384 1.578 11.779 1.00 0.00 C ATOM 0 HA PRO A 19 1.964 2.478 8.868 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.248 4.519 10.730 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.997 3.303 10.898 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.508 3.634 12.460 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.023 2.825 12.919 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.447 1.561 12.018 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.919 0.766 12.338 1.00 0.00 H new ATOM 307 N LEU A 20 3.561 3.811 7.733 1.00 0.00 N ATOM 308 CA LEU A 20 4.548 4.573 6.969 1.00 0.00 C ATOM 309 C LEU A 20 4.143 6.050 6.900 1.00 0.00 C ATOM 310 O LEU A 20 2.955 6.373 6.955 1.00 0.00 O ATOM 311 CB LEU A 20 4.681 4.028 5.537 1.00 0.00 C ATOM 312 CG LEU A 20 4.313 2.550 5.345 1.00 0.00 C ATOM 313 CD1 LEU A 20 4.683 2.115 3.926 1.00 0.00 C ATOM 314 CD2 LEU A 20 5.081 1.696 6.355 1.00 0.00 C ATOM 0 H LEU A 20 2.714 3.573 7.216 1.00 0.00 H new ATOM 0 HA LEU A 20 5.506 4.474 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.050 4.628 4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.710 4.172 5.208 1.00 0.00 H new ATOM 0 HG LEU A 20 3.242 2.419 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.423 1.066 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.136 2.723 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.754 2.246 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.819 0.647 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.152 1.826 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.820 2.006 7.367 1.00 0.00 H new ATOM 326 N PRO A 21 5.117 6.968 6.772 1.00 0.00 N ATOM 327 CA PRO A 21 4.822 8.408 6.692 1.00 0.00 C ATOM 328 C PRO A 21 4.460 8.856 5.279 1.00 0.00 C ATOM 329 O PRO A 21 5.109 8.473 4.306 1.00 0.00 O ATOM 330 CB PRO A 21 6.143 9.034 7.128 1.00 0.00 C ATOM 331 CG PRO A 21 7.237 8.007 6.850 1.00 0.00 C ATOM 332 CD PRO A 21 6.560 6.639 6.703 1.00 0.00 C ATOM 0 HA PRO A 21 3.963 8.692 7.299 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.332 9.957 6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.117 9.292 8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.782 8.264 5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.962 7.990 7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.819 6.160 5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.856 5.955 7.499 1.00 0.00 H new ATOM 340 N GLN A 22 3.422 9.682 5.178 1.00 0.00 N ATOM 341 CA GLN A 22 2.991 10.192 3.878 1.00 0.00 C ATOM 342 C GLN A 22 3.999 11.205 3.318 1.00 0.00 C ATOM 343 O GLN A 22 3.903 11.612 2.160 1.00 0.00 O ATOM 344 CB GLN A 22 1.623 10.868 4.001 1.00 0.00 C ATOM 345 CG GLN A 22 1.003 11.033 2.611 1.00 0.00 C ATOM 346 CD GLN A 22 1.288 12.437 2.086 1.00 0.00 C ATOM 347 OE1 GLN A 22 1.057 13.426 2.782 1.00 0.00 O ATOM 348 NE2 GLN A 22 1.778 12.585 0.886 1.00 0.00 N ATOM 0 H GLN A 22 2.869 10.010 5.970 1.00 0.00 H new ATOM 0 HA GLN A 22 2.926 9.344 3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.967 10.271 4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.729 11.841 4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.413 10.289 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.073 10.863 2.659 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.970 11.766 0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.969 13.520 0.525 1.00 0.00 H new ATOM 357 N VAL A 23 4.966 11.614 4.149 1.00 0.00 N ATOM 358 CA VAL A 23 5.982 12.581 3.733 1.00 0.00 C ATOM 359 C VAL A 23 6.664 12.160 2.422 1.00 0.00 C ATOM 360 O VAL A 23 7.192 12.999 1.693 1.00 0.00 O ATOM 361 CB VAL A 23 7.034 12.726 4.845 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.738 11.387 5.078 1.00 0.00 C ATOM 363 CG2 VAL A 23 8.070 13.784 4.454 1.00 0.00 C ATOM 0 H VAL A 23 5.064 11.289 5.111 1.00 0.00 H new ATOM 0 HA VAL A 23 5.489 13.537 3.557 1.00 0.00 H new ATOM 0 HB VAL A 23 6.532 13.035 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.481 11.499 5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.005 10.637 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.230 11.070 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.811 13.879 5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.565 13.485 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.573 14.742 4.305 1.00 0.00 H new ATOM 373 N LEU A 24 6.651 10.860 2.131 1.00 0.00 N ATOM 374 CA LEU A 24 7.281 10.368 0.902 1.00 0.00 C ATOM 375 C LEU A 24 6.329 9.495 0.073 1.00 0.00 C ATOM 376 O LEU A 24 6.703 9.006 -0.993 1.00 0.00 O ATOM 377 CB LEU A 24 8.571 9.586 1.228 1.00 0.00 C ATOM 378 CG LEU A 24 8.420 8.121 1.693 1.00 0.00 C ATOM 379 CD1 LEU A 24 7.254 7.982 2.673 1.00 0.00 C ATOM 380 CD2 LEU A 24 8.182 7.217 0.481 1.00 0.00 C ATOM 0 H LEU A 24 6.222 10.141 2.713 1.00 0.00 H new ATOM 0 HA LEU A 24 7.534 11.241 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.202 9.593 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.108 10.131 2.004 1.00 0.00 H new ATOM 0 HG LEU A 24 9.338 7.822 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.165 6.942 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.434 8.611 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.330 8.294 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.076 6.184 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.272 7.529 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.028 7.294 -0.202 1.00 0.00 H new ATOM 392 N LEU A 25 5.099 9.301 0.556 1.00 0.00 N ATOM 393 CA LEU A 25 4.132 8.490 -0.177 1.00 0.00 C ATOM 394 C LEU A 25 3.560 9.283 -1.350 1.00 0.00 C ATOM 395 O LEU A 25 3.806 10.482 -1.483 1.00 0.00 O ATOM 396 CB LEU A 25 2.993 8.062 0.749 1.00 0.00 C ATOM 397 CG LEU A 25 2.375 6.690 0.456 1.00 0.00 C ATOM 398 CD1 LEU A 25 3.474 5.626 0.377 1.00 0.00 C ATOM 399 CD2 LEU A 25 1.404 6.331 1.580 1.00 0.00 C ATOM 0 H LEU A 25 4.756 9.688 1.435 1.00 0.00 H new ATOM 0 HA LEU A 25 4.641 7.604 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.364 8.061 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.205 8.813 0.696 1.00 0.00 H new ATOM 0 HG LEU A 25 1.847 6.728 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.026 4.655 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.172 5.882 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.008 5.583 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.960 5.356 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.941 6.297 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.618 7.084 1.636 1.00 0.00 H new ATOM 411 N SER A 26 2.799 8.602 -2.204 1.00 0.00 N ATOM 412 CA SER A 26 2.205 9.260 -3.365 1.00 0.00 C ATOM 413 C SER A 26 0.693 9.038 -3.404 1.00 0.00 C ATOM 414 O SER A 26 -0.089 9.977 -3.259 1.00 0.00 O ATOM 415 CB SER A 26 2.820 8.720 -4.657 1.00 0.00 C ATOM 416 OG SER A 26 2.891 9.768 -5.616 1.00 0.00 O ATOM 0 H SER A 26 2.581 7.609 -2.117 1.00 0.00 H new ATOM 0 HA SER A 26 2.408 10.328 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.816 8.322 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.219 7.897 -5.044 1.00 0.00 H new ATOM 0 HG SER A 26 3.286 9.426 -6.445 1.00 0.00 H new ATOM 422 N SER A 27 0.293 7.786 -3.611 1.00 0.00 N ATOM 423 CA SER A 27 -1.129 7.454 -3.677 1.00 0.00 C ATOM 424 C SER A 27 -1.350 5.984 -3.302 1.00 0.00 C ATOM 425 O SER A 27 -0.465 5.332 -2.748 1.00 0.00 O ATOM 426 CB SER A 27 -1.665 7.714 -5.092 1.00 0.00 C ATOM 427 OG SER A 27 -2.686 8.700 -5.031 1.00 0.00 O ATOM 0 H SER A 27 0.923 6.994 -3.735 1.00 0.00 H new ATOM 0 HA SER A 27 -1.667 8.084 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.858 8.049 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.058 6.792 -5.520 1.00 0.00 H new ATOM 0 HG SER A 27 -2.919 8.987 -5.939 1.00 0.00 H new ATOM 433 N TRP A 28 -2.541 5.477 -3.613 1.00 0.00 N ATOM 434 CA TRP A 28 -2.879 4.085 -3.311 1.00 0.00 C ATOM 435 C TRP A 28 -3.819 3.532 -4.375 1.00 0.00 C ATOM 436 O TRP A 28 -4.768 4.198 -4.788 1.00 0.00 O ATOM 437 CB TRP A 28 -3.564 3.973 -1.944 1.00 0.00 C ATOM 438 CG TRP A 28 -4.687 4.960 -1.862 1.00 0.00 C ATOM 439 CD1 TRP A 28 -4.562 6.243 -1.452 1.00 0.00 C ATOM 440 CD2 TRP A 28 -6.095 4.770 -2.195 1.00 0.00 C ATOM 441 NE1 TRP A 28 -5.801 6.855 -1.514 1.00 0.00 N ATOM 442 CE2 TRP A 28 -6.777 5.989 -1.967 1.00 0.00 C ATOM 443 CE3 TRP A 28 -6.838 3.672 -2.670 1.00 0.00 C ATOM 444 CZ2 TRP A 28 -8.147 6.113 -2.202 1.00 0.00 C ATOM 445 CZ3 TRP A 28 -8.217 3.796 -2.906 1.00 0.00 C ATOM 446 CH2 TRP A 28 -8.869 5.014 -2.675 1.00 0.00 C ATOM 0 H TRP A 28 -3.285 6.004 -4.071 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.952 3.512 -3.297 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.944 2.962 -1.798 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.843 4.160 -1.148 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.645 6.713 -1.129 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.973 7.827 -1.257 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.345 2.729 -2.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.646 7.053 -2.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.778 2.947 -3.268 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.929 5.104 -2.862 1.00 0.00 H new ATOM 457 N TYR A 29 -3.551 2.304 -4.814 1.00 0.00 N ATOM 458 CA TYR A 29 -4.395 1.679 -5.831 1.00 0.00 C ATOM 459 C TYR A 29 -4.954 0.339 -5.320 1.00 0.00 C ATOM 460 O TYR A 29 -4.252 -0.403 -4.634 1.00 0.00 O ATOM 461 CB TYR A 29 -3.614 1.476 -7.146 1.00 0.00 C ATOM 462 CG TYR A 29 -2.588 0.362 -7.029 1.00 0.00 C ATOM 463 CD1 TYR A 29 -1.362 0.588 -6.386 1.00 0.00 C ATOM 464 CD2 TYR A 29 -2.863 -0.894 -7.583 1.00 0.00 C ATOM 465 CE1 TYR A 29 -0.418 -0.440 -6.300 1.00 0.00 C ATOM 466 CE2 TYR A 29 -1.917 -1.921 -7.497 1.00 0.00 C ATOM 467 CZ TYR A 29 -0.694 -1.695 -6.856 1.00 0.00 C ATOM 468 OH TYR A 29 0.239 -2.708 -6.771 1.00 0.00 O ATOM 0 H TYR A 29 -2.772 1.731 -4.490 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.232 2.347 -6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.312 1.244 -7.951 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.112 2.405 -7.417 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.147 1.556 -5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.807 -1.070 -8.077 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.525 -0.266 -5.804 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.131 -2.889 -7.926 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.112 -3.513 -7.206 1.00 0.00 H new ATOM 478 N PRO A 30 -6.222 0.012 -5.637 1.00 0.00 N ATOM 479 CA PRO A 30 -6.835 -1.249 -5.178 1.00 0.00 C ATOM 480 C PRO A 30 -6.469 -2.440 -6.060 1.00 0.00 C ATOM 481 O PRO A 30 -6.433 -2.336 -7.287 1.00 0.00 O ATOM 482 CB PRO A 30 -8.323 -0.942 -5.279 1.00 0.00 C ATOM 483 CG PRO A 30 -8.484 0.172 -6.307 1.00 0.00 C ATOM 484 CD PRO A 30 -7.121 0.856 -6.459 1.00 0.00 C ATOM 0 HA PRO A 30 -6.499 -1.537 -4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.879 -1.829 -5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.719 -0.633 -4.312 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.819 -0.233 -7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.239 0.888 -5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.801 0.888 -7.501 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.145 1.885 -6.101 1.00 0.00 H new ATOM 492 N THR A 31 -6.207 -3.572 -5.417 1.00 0.00 N ATOM 493 CA THR A 31 -5.851 -4.787 -6.145 1.00 0.00 C ATOM 494 C THR A 31 -7.093 -5.646 -6.366 1.00 0.00 C ATOM 495 O THR A 31 -8.188 -5.304 -5.921 1.00 0.00 O ATOM 496 CB THR A 31 -4.805 -5.593 -5.364 1.00 0.00 C ATOM 497 OG1 THR A 31 -4.576 -6.837 -6.012 1.00 0.00 O ATOM 498 CG2 THR A 31 -5.304 -5.841 -3.939 1.00 0.00 C ATOM 0 H THR A 31 -6.233 -3.675 -4.403 1.00 0.00 H new ATOM 0 HA THR A 31 -5.431 -4.501 -7.109 1.00 0.00 H new ATOM 0 HB THR A 31 -3.873 -5.029 -5.327 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.325 -7.511 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.559 -6.414 -3.387 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.470 -4.886 -3.440 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.239 -6.400 -3.973 1.00 0.00 H new ATOM 506 N SER A 32 -6.910 -6.764 -7.062 1.00 0.00 N ATOM 507 CA SER A 32 -8.023 -7.671 -7.343 1.00 0.00 C ATOM 508 C SER A 32 -8.660 -8.158 -6.042 1.00 0.00 C ATOM 509 O SER A 32 -7.967 -8.484 -5.079 1.00 0.00 O ATOM 510 CB SER A 32 -7.536 -8.878 -8.148 1.00 0.00 C ATOM 511 OG SER A 32 -8.516 -9.220 -9.120 1.00 0.00 O ATOM 0 H SER A 32 -6.011 -7.064 -7.440 1.00 0.00 H new ATOM 0 HA SER A 32 -8.766 -7.124 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.589 -8.647 -8.635 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.355 -9.723 -7.484 1.00 0.00 H new ATOM 0 HG SER A 32 -8.207 -9.992 -9.639 1.00 0.00 H new ATOM 517 N GLN A 33 -9.991 -8.198 -6.025 1.00 0.00 N ATOM 518 CA GLN A 33 -10.714 -8.638 -4.840 1.00 0.00 C ATOM 519 C GLN A 33 -11.023 -10.137 -4.895 1.00 0.00 C ATOM 520 O GLN A 33 -11.898 -10.625 -4.180 1.00 0.00 O ATOM 521 CB GLN A 33 -12.029 -7.868 -4.715 1.00 0.00 C ATOM 522 CG GLN A 33 -12.842 -8.021 -6.003 1.00 0.00 C ATOM 523 CD GLN A 33 -14.287 -7.611 -5.745 1.00 0.00 C ATOM 524 OE1 GLN A 33 -14.694 -6.501 -6.085 1.00 0.00 O ATOM 525 NE2 GLN A 33 -15.095 -8.450 -5.155 1.00 0.00 N ATOM 0 H GLN A 33 -10.584 -7.933 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.078 -8.443 -3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.601 -8.242 -3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.827 -6.814 -4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.413 -7.403 -6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.802 -9.054 -6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -14.758 -9.370 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.064 -8.185 -4.976 1.00 0.00 H new ATOM 534 N LEU A 34 -10.297 -10.868 -5.743 1.00 0.00 N ATOM 535 CA LEU A 34 -10.512 -12.307 -5.864 1.00 0.00 C ATOM 536 C LEU A 34 -9.278 -13.066 -5.386 1.00 0.00 C ATOM 537 O LEU A 34 -8.954 -14.139 -5.896 1.00 0.00 O ATOM 538 CB LEU A 34 -10.802 -12.695 -7.319 1.00 0.00 C ATOM 539 CG LEU A 34 -11.861 -11.849 -8.044 1.00 0.00 C ATOM 540 CD1 LEU A 34 -13.100 -11.682 -7.159 1.00 0.00 C ATOM 541 CD2 LEU A 34 -11.279 -10.472 -8.371 1.00 0.00 C ATOM 0 H LEU A 34 -9.566 -10.492 -6.347 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.370 -12.570 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.871 -12.636 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.122 -13.737 -7.340 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.148 -12.355 -8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.843 -11.081 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.520 -12.662 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.820 -11.184 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.030 -9.872 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.985 -9.972 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.406 -10.589 -9.013 1.00 0.00 H new ATOM 553 N CYS A 35 -8.590 -12.494 -4.401 1.00 0.00 N ATOM 554 CA CYS A 35 -7.386 -13.123 -3.859 1.00 0.00 C ATOM 555 C CYS A 35 -7.681 -13.721 -2.487 1.00 0.00 C ATOM 556 O CYS A 35 -8.827 -13.744 -2.037 1.00 0.00 O ATOM 557 CB CYS A 35 -6.242 -12.107 -3.714 1.00 0.00 C ATOM 558 SG CYS A 35 -6.086 -11.101 -5.217 1.00 0.00 S ATOM 0 H CYS A 35 -8.841 -11.606 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 35 -7.082 -13.904 -4.555 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.428 -11.462 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.306 -12.631 -3.522 1.00 0.00 H new ATOM 563 N SER A 36 -6.632 -14.197 -1.821 1.00 0.00 N ATOM 564 CA SER A 36 -6.788 -14.785 -0.494 1.00 0.00 C ATOM 565 C SER A 36 -6.944 -13.684 0.551 1.00 0.00 C ATOM 566 O SER A 36 -7.672 -13.833 1.532 1.00 0.00 O ATOM 567 CB SER A 36 -5.573 -15.642 -0.140 1.00 0.00 C ATOM 568 OG SER A 36 -4.386 -14.934 -0.471 1.00 0.00 O ATOM 0 H SER A 36 -5.675 -14.188 -2.174 1.00 0.00 H new ATOM 0 HA SER A 36 -7.679 -15.413 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.581 -15.884 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.610 -16.587 -0.682 1.00 0.00 H new ATOM 0 HG SER A 36 -4.136 -15.131 -1.398 1.00 0.00 H new ATOM 574 N LYS A 37 -6.250 -12.574 0.320 1.00 0.00 N ATOM 575 CA LYS A 37 -6.311 -11.438 1.236 1.00 0.00 C ATOM 576 C LYS A 37 -6.128 -10.129 0.456 1.00 0.00 C ATOM 577 O LYS A 37 -5.035 -9.561 0.436 1.00 0.00 O ATOM 578 CB LYS A 37 -5.218 -11.545 2.303 1.00 0.00 C ATOM 579 CG LYS A 37 -5.292 -12.917 2.976 1.00 0.00 C ATOM 580 CD LYS A 37 -4.376 -12.935 4.205 1.00 0.00 C ATOM 581 CE LYS A 37 -3.742 -14.320 4.353 1.00 0.00 C ATOM 582 NZ LYS A 37 -3.585 -14.642 5.799 1.00 0.00 N ATOM 0 H LYS A 37 -5.642 -12.436 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.285 -11.444 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.237 -11.404 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.342 -10.757 3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.319 -13.134 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.991 -13.695 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.599 -12.177 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.947 -12.688 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.366 -15.071 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.772 -14.343 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.154 -15.583 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.973 -13.931 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.518 -14.637 6.259 1.00 0.00 H new ATOM 596 N PRO A 38 -7.189 -9.638 -0.206 1.00 0.00 N ATOM 597 CA PRO A 38 -7.108 -8.393 -0.993 1.00 0.00 C ATOM 598 C PRO A 38 -7.248 -7.136 -0.137 1.00 0.00 C ATOM 599 O PRO A 38 -7.518 -7.205 1.061 1.00 0.00 O ATOM 600 CB PRO A 38 -8.289 -8.532 -1.943 1.00 0.00 C ATOM 601 CG PRO A 38 -9.286 -9.480 -1.286 1.00 0.00 C ATOM 602 CD PRO A 38 -8.527 -10.275 -0.218 1.00 0.00 C ATOM 0 HA PRO A 38 -6.142 -8.275 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.748 -7.561 -2.131 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.964 -8.923 -2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.108 -8.922 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.723 -10.151 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.013 -10.208 0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.466 -11.333 -0.472 1.00 0.00 H new ATOM 610 N GLY A 39 -7.059 -5.986 -0.778 1.00 0.00 N ATOM 611 CA GLY A 39 -7.161 -4.704 -0.088 1.00 0.00 C ATOM 612 C GLY A 39 -6.729 -3.574 -1.016 1.00 0.00 C ATOM 613 O GLY A 39 -7.352 -3.329 -2.049 1.00 0.00 O ATOM 0 H GLY A 39 -6.835 -5.916 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.187 -4.541 0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.535 -4.712 0.804 1.00 0.00 H new ATOM 617 N VAL A 40 -5.647 -2.895 -0.645 1.00 0.00 N ATOM 618 CA VAL A 40 -5.136 -1.801 -1.465 1.00 0.00 C ATOM 619 C VAL A 40 -3.627 -1.670 -1.295 1.00 0.00 C ATOM 620 O VAL A 40 -3.096 -1.792 -0.192 1.00 0.00 O ATOM 621 CB VAL A 40 -5.798 -0.472 -1.086 1.00 0.00 C ATOM 622 CG1 VAL A 40 -5.405 0.601 -2.099 1.00 0.00 C ATOM 623 CG2 VAL A 40 -7.317 -0.635 -1.090 1.00 0.00 C ATOM 0 H VAL A 40 -5.114 -3.079 0.205 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.371 -2.031 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.466 -0.176 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.876 1.546 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.322 0.722 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.736 0.301 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.785 0.312 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.648 -0.933 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.603 -1.400 -0.368 1.00 0.00 H new ATOM 633 N ILE A 41 -2.947 -1.416 -2.408 1.00 0.00 N ATOM 634 CA ILE A 41 -1.498 -1.264 -2.388 1.00 0.00 C ATOM 635 C ILE A 41 -1.124 0.217 -2.493 1.00 0.00 C ATOM 636 O ILE A 41 -1.710 0.970 -3.271 1.00 0.00 O ATOM 637 CB ILE A 41 -0.874 -2.058 -3.554 1.00 0.00 C ATOM 638 CG1 ILE A 41 -1.032 -3.552 -3.276 1.00 0.00 C ATOM 639 CG2 ILE A 41 0.622 -1.735 -3.708 1.00 0.00 C ATOM 640 CD1 ILE A 41 -2.473 -3.977 -3.561 1.00 0.00 C ATOM 0 H ILE A 41 -3.373 -1.312 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.110 -1.655 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.385 -1.780 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.344 -4.123 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.777 -3.768 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.035 -2.309 -4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.746 -0.670 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.147 -1.996 -2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.584 -5.043 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.152 -3.416 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.712 -3.776 -4.605 1.00 0.00 H new ATOM 652 N PHE A 42 -0.129 0.613 -1.705 1.00 0.00 N ATOM 653 CA PHE A 42 0.339 1.993 -1.717 1.00 0.00 C ATOM 654 C PHE A 42 1.469 2.143 -2.726 1.00 0.00 C ATOM 655 O PHE A 42 2.164 1.180 -3.037 1.00 0.00 O ATOM 656 CB PHE A 42 0.857 2.399 -0.334 1.00 0.00 C ATOM 657 CG PHE A 42 -0.296 2.859 0.524 1.00 0.00 C ATOM 658 CD1 PHE A 42 -0.829 4.142 0.349 1.00 0.00 C ATOM 659 CD2 PHE A 42 -0.831 2.005 1.494 1.00 0.00 C ATOM 660 CE1 PHE A 42 -1.898 4.569 1.147 1.00 0.00 C ATOM 661 CE2 PHE A 42 -1.900 2.432 2.291 1.00 0.00 C ATOM 662 CZ PHE A 42 -2.433 3.715 2.117 1.00 0.00 C ATOM 0 H PHE A 42 0.365 0.002 -1.055 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.498 2.636 -1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.361 1.556 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.593 3.197 -0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.416 4.801 -0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.419 1.016 1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.310 5.559 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.313 1.772 3.040 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.257 4.045 2.732 1.00 0.00 H new ATOM 672 N LEU A 43 1.648 3.356 -3.235 1.00 0.00 N ATOM 673 CA LEU A 43 2.709 3.610 -4.207 1.00 0.00 C ATOM 674 C LEU A 43 3.498 4.849 -3.807 1.00 0.00 C ATOM 675 O LEU A 43 3.093 5.976 -4.093 1.00 0.00 O ATOM 676 CB LEU A 43 2.134 3.822 -5.612 1.00 0.00 C ATOM 677 CG LEU A 43 0.841 3.057 -5.919 1.00 0.00 C ATOM 678 CD1 LEU A 43 -0.365 3.945 -5.612 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.817 2.664 -7.397 1.00 0.00 C ATOM 0 H LEU A 43 1.082 4.170 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 43 3.362 2.738 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.948 4.887 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.889 3.532 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 43 0.799 2.159 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.283 3.400 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.352 4.225 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.321 4.844 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.102 2.120 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.862 3.562 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.675 2.029 -7.619 1.00 0.00 H new ATOM 691 N THR A 44 4.630 4.635 -3.141 1.00 0.00 N ATOM 692 CA THR A 44 5.458 5.755 -2.714 1.00 0.00 C ATOM 693 C THR A 44 5.997 6.499 -3.932 1.00 0.00 C ATOM 694 O THR A 44 5.918 6.009 -5.059 1.00 0.00 O ATOM 695 CB THR A 44 6.629 5.260 -1.867 1.00 0.00 C ATOM 696 OG1 THR A 44 7.447 4.408 -2.653 1.00 0.00 O ATOM 697 CG2 THR A 44 6.098 4.489 -0.658 1.00 0.00 C ATOM 0 H THR A 44 4.989 3.714 -2.890 1.00 0.00 H new ATOM 0 HA THR A 44 4.844 6.429 -2.116 1.00 0.00 H new ATOM 0 HB THR A 44 7.215 6.111 -1.520 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.938 4.090 -3.428 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.935 4.137 -0.055 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.468 5.144 -0.057 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.512 3.636 -0.999 1.00 0.00 H new ATOM 705 N LYS A 45 6.545 7.687 -3.696 1.00 0.00 N ATOM 706 CA LYS A 45 7.093 8.493 -4.786 1.00 0.00 C ATOM 707 C LYS A 45 8.206 7.735 -5.504 1.00 0.00 C ATOM 708 O LYS A 45 8.155 7.528 -6.716 1.00 0.00 O ATOM 709 CB LYS A 45 7.655 9.810 -4.247 1.00 0.00 C ATOM 710 CG LYS A 45 6.505 10.705 -3.783 1.00 0.00 C ATOM 711 CD LYS A 45 6.975 11.581 -2.620 1.00 0.00 C ATOM 712 CE LYS A 45 7.849 12.717 -3.158 1.00 0.00 C ATOM 713 NZ LYS A 45 7.022 13.621 -4.006 1.00 0.00 N ATOM 0 H LYS A 45 6.622 8.111 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 45 6.286 8.702 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.335 9.615 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.233 10.315 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.162 11.330 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.658 10.094 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.116 11.989 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.538 10.982 -1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.287 13.276 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.675 12.310 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.431 14.577 -3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.005 13.262 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.052 13.655 -3.633 1.00 0.00 H new ATOM 727 N ARG A 46 9.215 7.328 -4.740 1.00 0.00 N ATOM 728 CA ARG A 46 10.345 6.595 -5.308 1.00 0.00 C ATOM 729 C ARG A 46 10.666 5.328 -4.506 1.00 0.00 C ATOM 730 O ARG A 46 11.623 4.618 -4.817 1.00 0.00 O ATOM 731 CB ARG A 46 11.585 7.483 -5.317 1.00 0.00 C ATOM 732 CG ARG A 46 12.687 6.817 -6.143 1.00 0.00 C ATOM 733 CD ARG A 46 13.646 7.886 -6.671 1.00 0.00 C ATOM 734 NE ARG A 46 14.595 7.303 -7.623 1.00 0.00 N ATOM 735 CZ ARG A 46 15.657 7.983 -8.077 1.00 0.00 C ATOM 736 NH1 ARG A 46 15.897 9.212 -7.686 1.00 0.00 N ATOM 737 NH2 ARG A 46 16.469 7.412 -8.925 1.00 0.00 N ATOM 0 H ARG A 46 9.275 7.491 -3.735 1.00 0.00 H new ATOM 0 HA ARG A 46 10.066 6.307 -6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.342 8.460 -5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.932 7.651 -4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.230 6.097 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.249 6.264 -6.974 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.081 8.683 -7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.188 8.339 -5.840 1.00 0.00 H new ATOM 0 HE ARG A 46 14.443 6.349 -7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.269 9.668 -7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.711 9.711 -8.044 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.292 6.457 -9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.280 7.921 -9.276 1.00 0.00 H new ATOM 751 N GLY A 47 9.876 5.047 -3.468 1.00 0.00 N ATOM 752 CA GLY A 47 10.116 3.870 -2.646 1.00 0.00 C ATOM 753 C GLY A 47 9.671 2.598 -3.358 1.00 0.00 C ATOM 754 O GLY A 47 10.284 2.167 -4.335 1.00 0.00 O ATOM 0 H GLY A 47 9.076 5.612 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.177 3.802 -2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.580 3.968 -1.702 1.00 0.00 H new ATOM 758 N ARG A 48 8.600 1.998 -2.847 1.00 0.00 N ATOM 759 CA ARG A 48 8.079 0.763 -3.433 1.00 0.00 C ATOM 760 C ARG A 48 6.581 0.632 -3.169 1.00 0.00 C ATOM 761 O ARG A 48 5.942 1.552 -2.656 1.00 0.00 O ATOM 762 CB ARG A 48 8.810 -0.450 -2.839 1.00 0.00 C ATOM 763 CG ARG A 48 9.890 -0.931 -3.813 1.00 0.00 C ATOM 764 CD ARG A 48 9.299 -1.986 -4.749 1.00 0.00 C ATOM 765 NE ARG A 48 9.277 -3.300 -4.099 1.00 0.00 N ATOM 766 CZ ARG A 48 8.806 -4.392 -4.717 1.00 0.00 C ATOM 767 NH1 ARG A 48 8.341 -4.334 -5.943 1.00 0.00 N ATOM 768 NH2 ARG A 48 8.812 -5.536 -4.089 1.00 0.00 N ATOM 0 H ARG A 48 8.080 2.340 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 48 8.246 0.798 -4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.262 -0.182 -1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.100 -1.254 -2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.274 -0.090 -4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.732 -1.349 -3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.287 -1.699 -5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.887 -2.037 -5.665 1.00 0.00 H new ATOM 0 HE ARG A 48 9.631 -3.386 -3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.333 -3.446 -6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.987 -5.177 -6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.173 -5.593 -3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.456 -6.373 -4.550 1.00 0.00 H new ATOM 782 N GLN A 49 6.030 -0.533 -3.513 1.00 0.00 N ATOM 783 CA GLN A 49 4.610 -0.787 -3.296 1.00 0.00 C ATOM 784 C GLN A 49 4.416 -1.595 -2.015 1.00 0.00 C ATOM 785 O GLN A 49 5.301 -2.345 -1.602 1.00 0.00 O ATOM 786 CB GLN A 49 4.013 -1.559 -4.473 1.00 0.00 C ATOM 787 CG GLN A 49 3.465 -0.572 -5.506 1.00 0.00 C ATOM 788 CD GLN A 49 4.561 -0.223 -6.508 1.00 0.00 C ATOM 789 OE1 GLN A 49 4.783 -0.953 -7.474 1.00 0.00 O ATOM 790 NE2 GLN A 49 5.266 0.861 -6.333 1.00 0.00 N ATOM 0 H GLN A 49 6.541 -1.306 -3.938 1.00 0.00 H new ATOM 0 HA GLN A 49 4.101 0.173 -3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.773 -2.194 -4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.216 -2.216 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.610 -1.008 -6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.111 0.331 -5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.082 1.466 -5.532 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.001 1.104 -6.997 1.00 0.00 H new ATOM 799 N VAL A 50 3.255 -1.432 -1.384 1.00 0.00 N ATOM 800 CA VAL A 50 2.973 -2.152 -0.141 1.00 0.00 C ATOM 801 C VAL A 50 1.471 -2.379 0.032 1.00 0.00 C ATOM 802 O VAL A 50 0.666 -1.465 -0.137 1.00 0.00 O ATOM 803 CB VAL A 50 3.492 -1.354 1.061 1.00 0.00 C ATOM 804 CG1 VAL A 50 3.305 -2.163 2.347 1.00 0.00 C ATOM 805 CG2 VAL A 50 4.980 -1.051 0.872 1.00 0.00 C ATOM 0 H VAL A 50 2.505 -0.819 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 50 3.477 -3.117 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 50 2.932 -0.422 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.676 -1.588 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.246 -2.379 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.859 -3.099 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.347 -0.484 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.534 -1.986 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.120 -0.467 -0.038 1.00 0.00 H new ATOM 815 N CYS A 51 1.112 -3.609 0.401 1.00 0.00 N ATOM 816 CA CYS A 51 -0.290 -3.950 0.629 1.00 0.00 C ATOM 817 C CYS A 51 -0.742 -3.361 1.962 1.00 0.00 C ATOM 818 O CYS A 51 -0.021 -3.435 2.958 1.00 0.00 O ATOM 819 CB CYS A 51 -0.478 -5.474 0.669 1.00 0.00 C ATOM 820 SG CYS A 51 -1.003 -6.076 -0.957 1.00 0.00 S ATOM 0 H CYS A 51 1.766 -4.378 0.547 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.884 -3.541 -0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.455 -5.956 0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.222 -5.737 1.421 1.00 0.00 H new ATOM 825 N ALA A 52 -1.932 -2.769 1.977 1.00 0.00 N ATOM 826 CA ALA A 52 -2.442 -2.169 3.207 1.00 0.00 C ATOM 827 C ALA A 52 -3.960 -2.269 3.278 1.00 0.00 C ATOM 828 O ALA A 52 -4.660 -2.072 2.284 1.00 0.00 O ATOM 829 CB ALA A 52 -2.039 -0.697 3.288 1.00 0.00 C ATOM 0 H ALA A 52 -2.551 -2.692 1.170 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.009 -2.717 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.426 -0.264 4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.952 -0.616 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.451 -0.160 2.434 1.00 0.00 H new ATOM 835 N ASP A 53 -4.459 -2.570 4.473 1.00 0.00 N ATOM 836 CA ASP A 53 -5.899 -2.684 4.684 1.00 0.00 C ATOM 837 C ASP A 53 -6.458 -1.351 5.164 1.00 0.00 C ATOM 838 O ASP A 53 -5.976 -0.775 6.139 1.00 0.00 O ATOM 839 CB ASP A 53 -6.208 -3.759 5.729 1.00 0.00 C ATOM 840 CG ASP A 53 -6.392 -5.110 5.043 1.00 0.00 C ATOM 841 OD1 ASP A 53 -6.878 -5.126 3.924 1.00 0.00 O ATOM 842 OD2 ASP A 53 -6.046 -6.110 5.650 1.00 0.00 O ATOM 0 H ASP A 53 -3.893 -2.738 5.305 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.362 -2.962 3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.397 -3.817 6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.111 -3.495 6.280 1.00 0.00 H new ATOM 847 N LYS A 54 -7.481 -0.862 4.468 1.00 0.00 N ATOM 848 CA LYS A 54 -8.100 0.413 4.831 1.00 0.00 C ATOM 849 C LYS A 54 -8.618 0.378 6.270 1.00 0.00 C ATOM 850 O LYS A 54 -8.710 1.412 6.933 1.00 0.00 O ATOM 851 CB LYS A 54 -9.264 0.730 3.889 1.00 0.00 C ATOM 852 CG LYS A 54 -10.269 -0.425 3.906 1.00 0.00 C ATOM 853 CD LYS A 54 -10.896 -0.578 2.519 1.00 0.00 C ATOM 854 CE LYS A 54 -12.261 -1.257 2.647 1.00 0.00 C ATOM 855 NZ LYS A 54 -12.095 -2.733 2.522 1.00 0.00 N ATOM 0 H LYS A 54 -7.896 -1.322 3.658 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.338 1.188 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.752 1.655 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.893 0.887 2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.771 -1.350 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.044 -0.235 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.007 0.399 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.243 -1.169 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.713 -1.011 3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.936 -0.889 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.023 -3.195 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.681 -2.959 1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.465 -3.077 3.275 1.00 0.00 H new ATOM 869 N SER A 55 -8.952 -0.820 6.746 1.00 0.00 N ATOM 870 CA SER A 55 -9.457 -0.978 8.111 1.00 0.00 C ATOM 871 C SER A 55 -8.453 -0.436 9.131 1.00 0.00 C ATOM 872 O SER A 55 -8.827 -0.019 10.227 1.00 0.00 O ATOM 873 CB SER A 55 -9.729 -2.453 8.410 1.00 0.00 C ATOM 874 OG SER A 55 -10.929 -2.563 9.164 1.00 0.00 O ATOM 0 H SER A 55 -8.884 -1.688 6.214 1.00 0.00 H new ATOM 0 HA SER A 55 -10.385 -0.412 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.817 -3.015 7.480 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.896 -2.884 8.965 1.00 0.00 H new ATOM 0 HG SER A 55 -11.109 -3.507 9.357 1.00 0.00 H new ATOM 880 N LYS A 56 -7.173 -0.442 8.756 1.00 0.00 N ATOM 881 CA LYS A 56 -6.124 0.054 9.646 1.00 0.00 C ATOM 882 C LYS A 56 -6.369 1.519 9.997 1.00 0.00 C ATOM 883 O LYS A 56 -7.397 2.093 9.638 1.00 0.00 O ATOM 884 CB LYS A 56 -4.752 -0.078 8.981 1.00 0.00 C ATOM 885 CG LYS A 56 -4.514 -1.536 8.584 1.00 0.00 C ATOM 886 CD LYS A 56 -3.751 -2.253 9.700 1.00 0.00 C ATOM 887 CE LYS A 56 -3.780 -3.762 9.452 1.00 0.00 C ATOM 888 NZ LYS A 56 -2.707 -4.417 10.251 1.00 0.00 N ATOM 0 H LYS A 56 -6.841 -0.781 7.853 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.145 -0.545 10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.700 0.563 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.971 0.256 9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.466 -2.034 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.947 -1.583 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.720 -1.900 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.200 -2.024 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.753 -4.168 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.637 -3.970 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.726 -5.443 10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.782 -4.037 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.863 -4.229 11.262 1.00 0.00 H new ATOM 902 N ASP A 57 -5.416 2.116 10.706 1.00 0.00 N ATOM 903 CA ASP A 57 -5.541 3.515 11.105 1.00 0.00 C ATOM 904 C ASP A 57 -4.704 4.411 10.197 1.00 0.00 C ATOM 905 O ASP A 57 -5.226 5.307 9.533 1.00 0.00 O ATOM 906 CB ASP A 57 -5.080 3.703 12.551 1.00 0.00 C ATOM 907 CG ASP A 57 -6.228 3.374 13.498 1.00 0.00 C ATOM 908 OD1 ASP A 57 -7.192 4.123 13.512 1.00 0.00 O ATOM 909 OD2 ASP A 57 -6.129 2.379 14.196 1.00 0.00 O ATOM 0 H ASP A 57 -4.557 1.660 11.014 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.591 3.793 11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.227 3.057 12.759 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.748 4.729 12.708 1.00 0.00 H new ATOM 914 N TRP A 58 -3.397 4.165 10.181 1.00 0.00 N ATOM 915 CA TRP A 58 -2.494 4.964 9.355 1.00 0.00 C ATOM 916 C TRP A 58 -2.851 4.834 7.877 1.00 0.00 C ATOM 917 O TRP A 58 -2.634 5.756 7.090 1.00 0.00 O ATOM 918 CB TRP A 58 -1.034 4.546 9.571 1.00 0.00 C ATOM 919 CG TRP A 58 -0.845 3.091 9.262 1.00 0.00 C ATOM 920 CD1 TRP A 58 -1.059 2.075 10.131 1.00 0.00 C ATOM 921 CD2 TRP A 58 -0.384 2.477 8.023 1.00 0.00 C ATOM 922 NE1 TRP A 58 -0.760 0.879 9.502 1.00 0.00 N ATOM 923 CE2 TRP A 58 -0.341 1.074 8.200 1.00 0.00 C ATOM 924 CE3 TRP A 58 -0.004 2.999 6.778 1.00 0.00 C ATOM 925 CZ2 TRP A 58 0.067 0.219 7.171 1.00 0.00 C ATOM 926 CZ3 TRP A 58 0.407 2.145 5.741 1.00 0.00 C ATOM 927 CH2 TRP A 58 0.442 0.758 5.939 1.00 0.00 C ATOM 0 H TRP A 58 -2.943 3.429 10.722 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.609 6.005 9.657 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.382 5.145 8.935 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.743 4.744 10.603 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.406 2.181 11.148 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.839 -0.036 9.946 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.028 4.066 6.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.092 -0.849 7.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.697 2.559 4.787 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.759 0.106 5.138 1.00 0.00 H new ATOM 938 N VAL A 59 -3.412 3.688 7.507 1.00 0.00 N ATOM 939 CA VAL A 59 -3.806 3.464 6.120 1.00 0.00 C ATOM 940 C VAL A 59 -5.043 4.294 5.787 1.00 0.00 C ATOM 941 O VAL A 59 -5.224 4.738 4.655 1.00 0.00 O ATOM 942 CB VAL A 59 -4.109 1.982 5.887 1.00 0.00 C ATOM 943 CG1 VAL A 59 -4.407 1.736 4.403 1.00 0.00 C ATOM 944 CG2 VAL A 59 -2.892 1.154 6.307 1.00 0.00 C ATOM 0 H VAL A 59 -3.602 2.909 8.138 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.983 3.766 5.473 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.979 1.691 6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.622 0.679 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.270 2.330 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.542 2.024 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.098 0.096 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.028 1.451 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.682 1.325 7.363 1.00 0.00 H new ATOM 954 N LYS A 60 -5.892 4.497 6.791 1.00 0.00 N ATOM 955 CA LYS A 60 -7.113 5.274 6.600 1.00 0.00 C ATOM 956 C LYS A 60 -6.786 6.734 6.299 1.00 0.00 C ATOM 957 O LYS A 60 -7.328 7.325 5.365 1.00 0.00 O ATOM 958 CB LYS A 60 -7.986 5.208 7.855 1.00 0.00 C ATOM 959 CG LYS A 60 -9.420 5.603 7.502 1.00 0.00 C ATOM 960 CD LYS A 60 -10.374 5.080 8.577 1.00 0.00 C ATOM 961 CE LYS A 60 -11.804 5.506 8.244 1.00 0.00 C ATOM 962 NZ LYS A 60 -12.694 5.212 9.402 1.00 0.00 N ATOM 0 H LYS A 60 -5.759 4.138 7.736 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.652 4.846 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.967 4.201 8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.592 5.876 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.501 6.687 7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.692 5.193 6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.312 3.993 8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.086 5.469 9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.832 6.570 8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.155 4.977 7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.667 5.502 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.675 4.192 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.362 5.736 10.237 1.00 0.00 H new ATOM 976 N LYS A 61 -5.900 7.314 7.105 1.00 0.00 N ATOM 977 CA LYS A 61 -5.518 8.713 6.915 1.00 0.00 C ATOM 978 C LYS A 61 -4.876 8.919 5.547 1.00 0.00 C ATOM 979 O LYS A 61 -5.064 9.956 4.911 1.00 0.00 O ATOM 980 CB LYS A 61 -4.543 9.167 8.007 1.00 0.00 C ATOM 981 CG LYS A 61 -3.340 8.221 8.061 1.00 0.00 C ATOM 982 CD LYS A 61 -2.290 8.787 9.021 1.00 0.00 C ATOM 983 CE LYS A 61 -1.707 10.075 8.437 1.00 0.00 C ATOM 984 NZ LYS A 61 -0.450 10.422 9.161 1.00 0.00 N ATOM 0 H LYS A 61 -5.438 6.846 7.885 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.426 9.312 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.207 10.184 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.048 9.183 8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.656 7.232 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.912 8.102 7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.741 8.987 9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.497 8.056 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.504 9.946 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.428 10.887 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.052 11.298 8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.658 10.561 10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.238 9.649 9.053 1.00 0.00 H new ATOM 998 N LEU A 62 -4.121 7.922 5.094 1.00 0.00 N ATOM 999 CA LEU A 62 -3.466 8.016 3.792 1.00 0.00 C ATOM 1000 C LEU A 62 -4.504 7.985 2.682 1.00 0.00 C ATOM 1001 O LEU A 62 -4.454 8.773 1.739 1.00 0.00 O ATOM 1002 CB LEU A 62 -2.499 6.854 3.586 1.00 0.00 C ATOM 1003 CG LEU A 62 -1.295 6.836 4.525 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -0.802 5.399 4.673 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -0.178 7.702 3.938 1.00 0.00 C ATOM 0 H LEU A 62 -3.949 7.053 5.599 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.914 8.955 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.048 5.920 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.138 6.881 2.558 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.581 7.230 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.058 5.377 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.600 4.781 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.512 5.011 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.682 7.690 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.114 7.308 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.534 8.726 3.823 1.00 0.00 H new ATOM 1017 N MET A 63 -5.447 7.058 2.807 1.00 0.00 N ATOM 1018 CA MET A 63 -6.511 6.915 1.811 1.00 0.00 C ATOM 1019 C MET A 63 -7.261 8.234 1.626 1.00 0.00 C ATOM 1020 O MET A 63 -7.666 8.585 0.519 1.00 0.00 O ATOM 1021 CB MET A 63 -7.505 5.837 2.242 1.00 0.00 C ATOM 1022 CG MET A 63 -6.917 4.456 1.953 1.00 0.00 C ATOM 1023 SD MET A 63 -8.253 3.241 1.831 1.00 0.00 S ATOM 1024 CE MET A 63 -8.136 2.971 0.047 1.00 0.00 C ATOM 0 H MET A 63 -5.500 6.397 3.582 1.00 0.00 H new ATOM 0 HA MET A 63 -6.046 6.629 0.868 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.726 5.935 3.305 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.447 5.962 1.708 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.347 4.479 1.024 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.224 4.172 2.745 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.884 2.240 -0.260 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.311 3.911 -0.476 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.142 2.598 -0.200 1.00 0.00 H new ATOM 1034 N GLN A 64 -7.434 8.956 2.728 1.00 0.00 N ATOM 1035 CA GLN A 64 -8.131 10.239 2.684 1.00 0.00 C ATOM 1036 C GLN A 64 -7.156 11.364 2.350 1.00 0.00 C ATOM 1037 O GLN A 64 -7.518 12.345 1.700 1.00 0.00 O ATOM 1038 CB GLN A 64 -8.791 10.535 4.033 1.00 0.00 C ATOM 1039 CG GLN A 64 -10.015 11.428 3.817 1.00 0.00 C ATOM 1040 CD GLN A 64 -10.954 11.303 5.012 1.00 0.00 C ATOM 1041 OE1 GLN A 64 -10.956 10.285 5.704 1.00 0.00 O ATOM 1042 NE2 GLN A 64 -11.760 12.288 5.298 1.00 0.00 N ATOM 0 H GLN A 64 -7.106 8.680 3.653 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.896 10.180 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.087 9.604 4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.081 11.028 4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.704 12.465 3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.533 11.138 2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.758 13.131 4.724 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.392 12.215 6.095 1.00 0.00 H new ATOM 1051 N GLN A 65 -5.915 11.210 2.804 1.00 0.00 N ATOM 1052 CA GLN A 65 -4.889 12.219 2.552 1.00 0.00 C ATOM 1053 C GLN A 65 -4.480 12.211 1.082 1.00 0.00 C ATOM 1054 O GLN A 65 -4.154 13.250 0.509 1.00 0.00 O ATOM 1055 CB GLN A 65 -3.657 11.948 3.415 1.00 0.00 C ATOM 1056 CG GLN A 65 -3.831 12.617 4.783 1.00 0.00 C ATOM 1057 CD GLN A 65 -3.052 13.928 4.819 1.00 0.00 C ATOM 1058 OE1 GLN A 65 -1.823 13.929 4.751 1.00 0.00 O ATOM 1059 NE2 GLN A 65 -3.700 15.056 4.922 1.00 0.00 N ATOM 0 H GLN A 65 -5.597 10.405 3.343 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.304 13.195 2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.516 10.874 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.764 12.332 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.887 12.806 4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.478 11.952 5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.718 15.056 4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.188 15.938 4.946 1.00 0.00 H new ATOM 1068 N LEU A 66 -4.503 11.026 0.482 1.00 0.00 N ATOM 1069 CA LEU A 66 -4.134 10.885 -0.923 1.00 0.00 C ATOM 1070 C LEU A 66 -5.386 10.660 -1.772 1.00 0.00 C ATOM 1071 O LEU A 66 -6.390 10.150 -1.274 1.00 0.00 O ATOM 1072 CB LEU A 66 -3.185 9.701 -1.109 1.00 0.00 C ATOM 1073 CG LEU A 66 -2.119 9.547 -0.020 1.00 0.00 C ATOM 1074 CD1 LEU A 66 -1.574 8.118 -0.035 1.00 0.00 C ATOM 1075 CD2 LEU A 66 -0.978 10.532 -0.282 1.00 0.00 C ATOM 0 H LEU A 66 -4.771 10.155 0.941 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.634 11.800 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.775 8.785 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.686 9.803 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.562 9.754 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.816 8.010 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.387 7.417 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.130 7.908 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.219 10.423 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.535 10.325 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.366 11.550 -0.269 1.00 0.00 H new ATOM 1087 N PRO A 67 -5.355 11.033 -3.060 1.00 0.00 N ATOM 1088 CA PRO A 67 -6.518 10.850 -3.943 1.00 0.00 C ATOM 1089 C PRO A 67 -6.653 9.406 -4.433 1.00 0.00 C ATOM 1090 O PRO A 67 -7.460 8.643 -3.908 1.00 0.00 O ATOM 1091 CB PRO A 67 -6.220 11.817 -5.086 1.00 0.00 C ATOM 1092 CG PRO A 67 -4.712 12.039 -5.101 1.00 0.00 C ATOM 1093 CD PRO A 67 -4.177 11.648 -3.720 1.00 0.00 C ATOM 0 HA PRO A 67 -7.468 11.046 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.559 11.406 -6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.747 12.760 -4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.243 11.436 -5.879 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.480 13.081 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.346 10.947 -3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.814 12.515 -3.169 1.00 0.00 H new ATOM 1101 N VAL A 68 -5.847 9.038 -5.436 1.00 0.00 N ATOM 1102 CA VAL A 68 -5.866 7.681 -5.995 1.00 0.00 C ATOM 1103 C VAL A 68 -4.985 7.652 -7.252 1.00 0.00 C ATOM 1104 O VAL A 68 -4.693 8.691 -7.847 1.00 0.00 O ATOM 1105 CB VAL A 68 -7.335 7.223 -6.295 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -7.473 6.487 -7.640 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -7.816 6.284 -5.174 1.00 0.00 C ATOM 0 H VAL A 68 -5.172 9.662 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.462 6.974 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.942 8.127 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.512 6.196 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.160 7.147 -8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.844 5.597 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.837 5.964 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.165 5.411 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.787 6.811 -4.220 1.00 0.00 H new ATOM 1117 N THR A 69 -4.568 6.452 -7.644 1.00 0.00 N ATOM 1118 CA THR A 69 -3.726 6.296 -8.826 1.00 0.00 C ATOM 1119 C THR A 69 -4.476 6.743 -10.077 1.00 0.00 C ATOM 1120 O THR A 69 -3.991 7.570 -10.849 1.00 0.00 O ATOM 1121 CB THR A 69 -3.301 4.837 -8.993 1.00 0.00 C ATOM 1122 OG1 THR A 69 -4.299 3.988 -8.440 1.00 0.00 O ATOM 1123 CG2 THR A 69 -1.973 4.605 -8.269 1.00 0.00 C ATOM 0 H THR A 69 -4.797 5.580 -7.166 1.00 0.00 H new ATOM 0 HA THR A 69 -2.840 6.917 -8.692 1.00 0.00 H new ATOM 0 HB THR A 69 -3.179 4.612 -10.053 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.535 3.294 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.670 3.565 -8.388 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.209 5.256 -8.693 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.093 4.829 -7.209 1.00 0.00 H new ATOM 1131 N ALA A 70 -5.670 6.184 -10.267 1.00 0.00 N ATOM 1132 CA ALA A 70 -6.489 6.528 -11.430 1.00 0.00 C ATOM 1133 C ALA A 70 -5.757 6.177 -12.722 1.00 0.00 C ATOM 1134 O ALA A 70 -5.058 7.007 -13.301 1.00 0.00 O ATOM 1135 CB ALA A 70 -6.817 8.022 -11.433 1.00 0.00 C ATOM 0 H ALA A 70 -6.089 5.498 -9.639 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.414 5.954 -11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.426 8.259 -12.305 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.366 8.276 -10.526 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.892 8.598 -11.470 1.00 0.00 H new ATOM 1141 N ARG A 71 -5.929 4.935 -13.166 1.00 0.00 N ATOM 1142 CA ARG A 71 -5.280 4.478 -14.392 1.00 0.00 C ATOM 1143 C ARG A 71 -6.321 3.971 -15.386 1.00 0.00 C ATOM 1144 O ARG A 71 -6.376 4.506 -16.480 1.00 0.00 O ATOM 1145 CB ARG A 71 -4.290 3.353 -14.088 1.00 0.00 C ATOM 1146 CG ARG A 71 -2.976 3.951 -13.582 1.00 0.00 C ATOM 1147 CD ARG A 71 -1.887 2.878 -13.600 1.00 0.00 C ATOM 1148 NE ARG A 71 -1.251 2.810 -14.917 1.00 0.00 N ATOM 1149 CZ ARG A 71 -0.401 3.752 -15.350 1.00 0.00 C ATOM 1150 NH1 ARG A 71 -0.098 4.788 -14.603 1.00 0.00 N ATOM 1151 NH2 ARG A 71 0.135 3.638 -16.534 1.00 0.00 N ATOM 1152 OXT ARG A 71 -7.045 3.053 -15.037 1.00 0.00 O ATOM 0 H ARG A 71 -6.506 4.233 -12.702 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.744 5.323 -14.825 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.707 2.680 -13.339 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.110 2.760 -14.985 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.682 4.793 -14.209 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.105 4.336 -12.571 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.138 3.100 -12.840 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.319 1.909 -13.349 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.462 2.019 -15.526 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.511 4.887 -13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.551 5.494 -14.950 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.094 2.837 -17.122 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.783 4.350 -16.871 1.00 0.00 H new TER 1166 ARG A 71