USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -154:sc= -0.594 USER MOD Single : A 6 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 125:sc= 1.01 USER MOD Single : A 16 GLN : amide:sc= -1.93 K(o=-1.9,f=-3.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -2.42 K(o=-2.4,f=-6.9!) USER MOD Single : A 26 SER OG : rot -170:sc= -0.966 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 157:sc= 0.455 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.835 K(o=-0.83,f=-4.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -17:sc= -2.79 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.9! C(o=-1.9!,f=-2.8!) 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 -165:sc= -8! (180deg=-8.59!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 65 GLN : amide:sc= -0.0502 K(o=-0.05,f=-0.88) USER MOD Single : A 69 THR OG1 : rot 110:sc= -1.63 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 10.905 -14.870 -7.177 1.00 0.00 N ATOM 2 CA LEU A 1 9.709 -14.605 -8.026 1.00 0.00 C ATOM 3 C LEU A 1 9.497 -15.774 -8.984 1.00 0.00 C ATOM 4 O LEU A 1 10.093 -15.831 -10.058 1.00 0.00 O ATOM 5 CB LEU A 1 9.929 -13.317 -8.834 1.00 0.00 C ATOM 6 CG LEU A 1 8.586 -12.634 -9.137 1.00 0.00 C ATOM 7 CD1 LEU A 1 7.680 -13.582 -9.930 1.00 0.00 C ATOM 8 CD2 LEU A 1 7.894 -12.242 -7.828 1.00 0.00 C ATOM 0 H1 LEU A 1 11.050 -14.074 -6.524 1.00 0.00 H new ATOM 0 H2 LEU A 1 10.757 -15.743 -6.631 1.00 0.00 H new ATOM 0 H3 LEU A 1 11.744 -14.978 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 1 8.831 -14.490 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.572 -12.636 -8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.444 -13.549 -9.766 1.00 0.00 H new ATOM 0 HG LEU A 1 8.774 -11.739 -9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.731 -13.088 -10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.165 -13.849 -10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.498 -14.485 -9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.943 -11.758 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.716 -13.135 -7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.530 -11.553 -7.272 1.00 0.00 H new ATOM 22 N GLY A 2 8.639 -16.707 -8.578 1.00 0.00 N ATOM 23 CA GLY A 2 8.352 -17.874 -9.406 1.00 0.00 C ATOM 24 C GLY A 2 7.175 -17.603 -10.336 1.00 0.00 C ATOM 25 O GLY A 2 7.039 -16.510 -10.886 1.00 0.00 O ATOM 0 H GLY A 2 8.136 -16.679 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.233 -18.134 -9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.129 -18.731 -8.770 1.00 0.00 H new ATOM 29 N ALA A 3 6.325 -18.612 -10.505 1.00 0.00 N ATOM 30 CA ALA A 3 5.158 -18.475 -11.372 1.00 0.00 C ATOM 31 C ALA A 3 4.032 -19.388 -10.897 1.00 0.00 C ATOM 32 O ALA A 3 4.001 -20.577 -11.216 1.00 0.00 O ATOM 33 CB ALA A 3 5.517 -18.834 -12.815 1.00 0.00 C ATOM 0 H ALA A 3 6.420 -19.524 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 3 4.827 -17.437 -11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.635 -18.726 -13.447 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.302 -18.167 -13.171 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.869 -19.865 -12.857 1.00 0.00 H new ATOM 39 N SER A 4 3.106 -18.818 -10.131 1.00 0.00 N ATOM 40 CA SER A 4 1.978 -19.588 -9.616 1.00 0.00 C ATOM 41 C SER A 4 1.070 -20.034 -10.757 1.00 0.00 C ATOM 42 O SER A 4 0.464 -21.104 -10.704 1.00 0.00 O ATOM 43 CB SER A 4 1.165 -18.751 -8.628 1.00 0.00 C ATOM 44 OG SER A 4 2.041 -18.175 -7.668 1.00 0.00 O ATOM 0 H SER A 4 3.113 -17.836 -9.855 1.00 0.00 H new ATOM 0 HA SER A 4 2.375 -20.465 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.622 -17.968 -9.158 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.422 -19.374 -8.131 1.00 0.00 H new ATOM 0 HG SER A 4 1.549 -18.002 -6.838 1.00 0.00 H new ATOM 50 N TRP A 5 0.983 -19.196 -11.792 1.00 0.00 N ATOM 51 CA TRP A 5 0.147 -19.495 -12.959 1.00 0.00 C ATOM 52 C TRP A 5 -1.332 -19.416 -12.594 1.00 0.00 C ATOM 53 O TRP A 5 -2.058 -18.543 -13.073 1.00 0.00 O ATOM 54 CB TRP A 5 0.452 -20.891 -13.518 1.00 0.00 C ATOM 55 CG TRP A 5 0.137 -20.922 -14.979 1.00 0.00 C ATOM 56 CD1 TRP A 5 0.906 -20.378 -15.951 1.00 0.00 C ATOM 57 CD2 TRP A 5 -1.012 -21.516 -15.650 1.00 0.00 C ATOM 58 NE1 TRP A 5 0.301 -20.601 -17.175 1.00 0.00 N ATOM 59 CE2 TRP A 5 -0.883 -21.299 -17.041 1.00 0.00 C ATOM 60 CE3 TRP A 5 -2.142 -22.216 -15.188 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -1.842 -21.758 -17.944 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -3.109 -22.680 -16.095 1.00 0.00 C ATOM 63 CH2 TRP A 5 -2.959 -22.452 -17.471 1.00 0.00 C ATOM 0 H TRP A 5 1.480 -18.307 -11.847 1.00 0.00 H new ATOM 0 HA TRP A 5 0.375 -18.751 -13.722 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.501 -21.138 -13.356 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.137 -21.642 -12.992 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.839 -19.856 -15.796 1.00 0.00 H new ATOM 0 HE1 TRP A 5 0.683 -20.288 -18.068 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -2.266 -22.397 -14.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.722 -21.578 -19.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.973 -23.216 -15.731 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.705 -22.812 -18.164 1.00 0.00 H new ATOM 74 N HIS A 6 -1.769 -20.335 -11.744 1.00 0.00 N ATOM 75 CA HIS A 6 -3.166 -20.365 -11.317 1.00 0.00 C ATOM 76 C HIS A 6 -3.522 -19.084 -10.571 1.00 0.00 C ATOM 77 O HIS A 6 -4.266 -18.241 -11.073 1.00 0.00 O ATOM 78 CB HIS A 6 -3.421 -21.563 -10.401 1.00 0.00 C ATOM 79 CG HIS A 6 -3.259 -22.837 -11.186 1.00 0.00 C ATOM 80 ND1 HIS A 6 -2.353 -23.820 -10.818 1.00 0.00 N ATOM 81 CD2 HIS A 6 -3.879 -23.301 -12.318 1.00 0.00 C ATOM 82 CE1 HIS A 6 -2.454 -24.818 -11.717 1.00 0.00 C ATOM 83 NE2 HIS A 6 -3.370 -24.553 -12.652 1.00 0.00 N ATOM 0 H HIS A 6 -1.184 -21.065 -11.338 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.788 -20.452 -12.208 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -2.724 -21.548 -9.563 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.426 -21.507 -9.982 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -4.646 -22.775 -12.867 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -1.865 -25.723 -11.685 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -3.639 -25.141 -13.441 1.00 0.00 H new ATOM 91 N ARG A 7 -2.981 -18.949 -9.366 1.00 0.00 N ATOM 92 CA ARG A 7 -3.244 -17.767 -8.550 1.00 0.00 C ATOM 93 C ARG A 7 -1.932 -17.188 -8.009 1.00 0.00 C ATOM 94 O ARG A 7 -1.507 -17.535 -6.907 1.00 0.00 O ATOM 95 CB ARG A 7 -4.155 -18.122 -7.372 1.00 0.00 C ATOM 96 CG ARG A 7 -5.550 -18.470 -7.894 1.00 0.00 C ATOM 97 CD ARG A 7 -6.602 -18.024 -6.876 1.00 0.00 C ATOM 98 NE ARG A 7 -7.868 -17.711 -7.545 1.00 0.00 N ATOM 99 CZ ARG A 7 -8.828 -16.987 -6.950 1.00 0.00 C ATOM 100 NH1 ARG A 7 -8.675 -16.523 -5.733 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.934 -16.741 -7.596 1.00 0.00 N ATOM 0 H ARG A 7 -2.363 -19.636 -8.934 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.737 -17.026 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.741 -18.965 -6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.213 -17.284 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.724 -17.979 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.628 -19.543 -8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.759 -18.811 -6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.244 -17.148 -6.335 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.024 -18.054 -8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.813 -16.710 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.418 -15.975 -5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.062 -17.098 -8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.671 -16.192 -7.154 1.00 0.00 H new ATOM 115 N PRO A 8 -1.272 -16.301 -8.772 1.00 0.00 N ATOM 116 CA PRO A 8 -0.002 -15.690 -8.336 1.00 0.00 C ATOM 117 C PRO A 8 -0.214 -14.503 -7.398 1.00 0.00 C ATOM 118 O PRO A 8 -1.345 -14.164 -7.047 1.00 0.00 O ATOM 119 CB PRO A 8 0.609 -15.234 -9.654 1.00 0.00 C ATOM 120 CG PRO A 8 -0.539 -15.056 -10.644 1.00 0.00 C ATOM 121 CD PRO A 8 -1.736 -15.848 -10.105 1.00 0.00 C ATOM 0 HA PRO A 8 0.621 -16.380 -7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.153 -14.299 -9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.324 -15.970 -10.022 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.793 -14.002 -10.751 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.253 -15.417 -11.632 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.629 -15.227 -10.031 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.986 -16.689 -10.751 1.00 0.00 H new ATOM 129 N ASP A 9 0.889 -13.878 -6.998 1.00 0.00 N ATOM 130 CA ASP A 9 0.819 -12.728 -6.100 1.00 0.00 C ATOM 131 C ASP A 9 0.087 -11.572 -6.773 1.00 0.00 C ATOM 132 O ASP A 9 0.475 -11.113 -7.848 1.00 0.00 O ATOM 133 CB ASP A 9 2.224 -12.268 -5.708 1.00 0.00 C ATOM 134 CG ASP A 9 3.048 -12.017 -6.965 1.00 0.00 C ATOM 135 OD1 ASP A 9 3.270 -12.964 -7.703 1.00 0.00 O ATOM 136 OD2 ASP A 9 3.444 -10.882 -7.174 1.00 0.00 O ATOM 0 H ASP A 9 1.833 -14.144 -7.277 1.00 0.00 H new ATOM 0 HA ASP A 9 0.275 -13.032 -5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.166 -11.358 -5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.706 -13.025 -5.090 1.00 0.00 H new ATOM 141 N LYS A 10 -0.977 -11.106 -6.127 1.00 0.00 N ATOM 142 CA LYS A 10 -1.762 -10.000 -6.670 1.00 0.00 C ATOM 143 C LYS A 10 -2.506 -9.272 -5.555 1.00 0.00 C ATOM 144 O LYS A 10 -2.508 -8.043 -5.489 1.00 0.00 O ATOM 145 CB LYS A 10 -2.776 -10.513 -7.696 1.00 0.00 C ATOM 146 CG LYS A 10 -3.441 -9.327 -8.399 1.00 0.00 C ATOM 147 CD LYS A 10 -2.397 -8.567 -9.222 1.00 0.00 C ATOM 148 CE LYS A 10 -3.041 -8.043 -10.508 1.00 0.00 C ATOM 149 NZ LYS A 10 -3.773 -6.779 -10.218 1.00 0.00 N ATOM 0 H LYS A 10 -1.314 -11.471 -5.236 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.073 -9.309 -7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.278 -11.149 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.530 -11.125 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.244 -9.679 -9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.893 -8.662 -7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.994 -7.738 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.561 -9.223 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.276 -7.867 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.726 -8.787 -10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.211 -6.423 -11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.512 -6.961 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.108 -6.069 -9.850 1.00 0.00 H new ATOM 163 N CYS A 11 -3.137 -10.047 -4.679 1.00 0.00 N ATOM 164 CA CYS A 11 -3.886 -9.467 -3.566 1.00 0.00 C ATOM 165 C CYS A 11 -3.010 -9.326 -2.316 1.00 0.00 C ATOM 166 O CYS A 11 -3.520 -9.117 -1.216 1.00 0.00 O ATOM 167 CB CYS A 11 -5.093 -10.342 -3.221 1.00 0.00 C ATOM 168 SG CYS A 11 -6.112 -10.582 -4.698 1.00 0.00 S ATOM 0 H CYS A 11 -3.146 -11.066 -4.715 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.219 -8.478 -3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.758 -11.306 -2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.682 -9.872 -2.433 1.00 0.00 H new ATOM 173 N CYS A 12 -1.690 -9.436 -2.488 1.00 0.00 N ATOM 174 CA CYS A 12 -0.770 -9.312 -1.358 1.00 0.00 C ATOM 175 C CYS A 12 -1.074 -10.362 -0.293 1.00 0.00 C ATOM 176 O CYS A 12 -2.057 -10.258 0.440 1.00 0.00 O ATOM 177 CB CYS A 12 -0.882 -7.923 -0.726 1.00 0.00 C ATOM 178 SG CYS A 12 -0.184 -6.691 -1.853 1.00 0.00 S ATOM 0 H CYS A 12 -1.240 -9.608 -3.387 1.00 0.00 H new ATOM 0 HA CYS A 12 0.241 -9.463 -1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.926 -7.690 -0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.353 -7.901 0.227 1.00 0.00 H new ATOM 183 N LEU A 13 -0.213 -11.373 -0.211 1.00 0.00 N ATOM 184 CA LEU A 13 -0.394 -12.435 0.776 1.00 0.00 C ATOM 185 C LEU A 13 -0.341 -11.855 2.187 1.00 0.00 C ATOM 186 O LEU A 13 -1.014 -12.337 3.099 1.00 0.00 O ATOM 187 CB LEU A 13 0.698 -13.496 0.631 1.00 0.00 C ATOM 188 CG LEU A 13 0.459 -14.525 -0.476 1.00 0.00 C ATOM 189 CD1 LEU A 13 -0.808 -15.325 -0.166 1.00 0.00 C ATOM 190 CD2 LEU A 13 0.291 -13.803 -1.814 1.00 0.00 C ATOM 0 H LEU A 13 0.607 -11.480 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.367 -12.896 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.647 -12.995 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.800 -14.023 1.580 1.00 0.00 H new ATOM 0 HG LEU A 13 1.311 -15.203 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.978 -16.058 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.689 -15.839 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.661 -14.648 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.121 -14.535 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.561 -13.125 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.193 -13.233 -2.036 1.00 0.00 H new ATOM 202 N GLY A 14 0.464 -10.810 2.351 1.00 0.00 N ATOM 203 CA GLY A 14 0.602 -10.156 3.649 1.00 0.00 C ATOM 204 C GLY A 14 0.431 -8.648 3.507 1.00 0.00 C ATOM 205 O GLY A 14 -0.094 -8.161 2.506 1.00 0.00 O ATOM 0 H GLY A 14 1.028 -10.399 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.142 -10.549 4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.581 -10.379 4.073 1.00 0.00 H new ATOM 209 N TYR A 15 0.879 -7.913 4.520 1.00 0.00 N ATOM 210 CA TYR A 15 0.771 -6.457 4.496 1.00 0.00 C ATOM 211 C TYR A 15 1.982 -5.825 5.174 1.00 0.00 C ATOM 212 O TYR A 15 2.818 -6.519 5.753 1.00 0.00 O ATOM 213 CB TYR A 15 -0.499 -6.002 5.217 1.00 0.00 C ATOM 214 CG TYR A 15 -1.709 -6.476 4.448 1.00 0.00 C ATOM 215 CD1 TYR A 15 -2.200 -7.772 4.643 1.00 0.00 C ATOM 216 CD2 TYR A 15 -2.339 -5.619 3.538 1.00 0.00 C ATOM 217 CE1 TYR A 15 -3.321 -8.211 3.928 1.00 0.00 C ATOM 218 CE2 TYR A 15 -3.459 -6.057 2.823 1.00 0.00 C ATOM 219 CZ TYR A 15 -3.950 -7.353 3.018 1.00 0.00 C ATOM 220 OH TYR A 15 -5.055 -7.786 2.313 1.00 0.00 O ATOM 0 H TYR A 15 1.316 -8.295 5.359 1.00 0.00 H new ATOM 0 HA TYR A 15 0.729 -6.138 3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.519 -6.403 6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.512 -4.916 5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.714 -8.434 5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.960 -4.619 3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.700 -9.211 4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.944 -5.395 2.121 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.799 -7.164 2.457 1.00 0.00 H new ATOM 230 N GLN A 16 2.069 -4.497 5.097 1.00 0.00 N ATOM 231 CA GLN A 16 3.188 -3.779 5.710 1.00 0.00 C ATOM 232 C GLN A 16 3.264 -4.077 7.205 1.00 0.00 C ATOM 233 O GLN A 16 4.343 -4.312 7.750 1.00 0.00 O ATOM 234 CB GLN A 16 3.037 -2.261 5.522 1.00 0.00 C ATOM 235 CG GLN A 16 4.409 -1.627 5.250 1.00 0.00 C ATOM 236 CD GLN A 16 5.346 -1.863 6.431 1.00 0.00 C ATOM 237 OE1 GLN A 16 5.984 -2.911 6.526 1.00 0.00 O ATOM 238 NE2 GLN A 16 5.471 -0.938 7.342 1.00 0.00 N ATOM 0 H GLN A 16 1.389 -3.903 4.623 1.00 0.00 H new ATOM 0 HA GLN A 16 4.100 -4.118 5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.361 -2.054 4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.593 -1.818 6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.841 -2.053 4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.295 -0.557 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.942 -0.069 7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.098 -1.083 8.134 1.00 0.00 H new ATOM 247 N LYS A 17 2.095 -4.048 7.856 1.00 0.00 N ATOM 248 CA LYS A 17 1.976 -4.301 9.306 1.00 0.00 C ATOM 249 C LYS A 17 2.214 -3.020 10.107 1.00 0.00 C ATOM 250 O LYS A 17 1.467 -2.710 11.034 1.00 0.00 O ATOM 251 CB LYS A 17 2.948 -5.388 9.796 1.00 0.00 C ATOM 252 CG LYS A 17 2.356 -6.089 11.020 1.00 0.00 C ATOM 253 CD LYS A 17 3.409 -7.008 11.640 1.00 0.00 C ATOM 254 CE LYS A 17 3.274 -8.413 11.049 1.00 0.00 C ATOM 255 NZ LYS A 17 4.218 -9.336 11.742 1.00 0.00 N ATOM 0 H LYS A 17 1.205 -3.850 7.399 1.00 0.00 H new ATOM 0 HA LYS A 17 0.958 -4.655 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.130 -6.112 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.910 -4.943 10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.026 -5.351 11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.478 -6.667 10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.408 -6.616 11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.284 -7.044 12.722 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.250 -8.770 11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.488 -8.392 9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.127 -10.291 11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.193 -8.997 11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.994 -9.364 12.757 1.00 0.00 H new ATOM 269 N ARG A 18 3.253 -2.275 9.740 1.00 0.00 N ATOM 270 CA ARG A 18 3.563 -1.029 10.433 1.00 0.00 C ATOM 271 C ARG A 18 3.101 0.167 9.592 1.00 0.00 C ATOM 272 O ARG A 18 2.879 0.031 8.389 1.00 0.00 O ATOM 273 CB ARG A 18 5.069 -0.917 10.692 1.00 0.00 C ATOM 274 CG ARG A 18 5.388 -1.426 12.101 1.00 0.00 C ATOM 275 CD ARG A 18 5.432 -0.247 13.075 1.00 0.00 C ATOM 276 NE ARG A 18 6.037 -0.650 14.347 1.00 0.00 N ATOM 277 CZ ARG A 18 5.394 -1.432 15.226 1.00 0.00 C ATOM 278 NH1 ARG A 18 4.185 -1.877 14.983 1.00 0.00 N ATOM 279 NH2 ARG A 18 5.985 -1.758 16.343 1.00 0.00 N ATOM 0 H ARG A 18 3.887 -2.509 8.976 1.00 0.00 H new ATOM 0 HA ARG A 18 3.038 -1.028 11.388 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.620 -1.497 9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.390 0.119 10.588 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.633 -2.145 12.418 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.345 -1.948 12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.004 0.572 12.638 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.423 0.126 13.248 1.00 0.00 H new ATOM 0 HE ARG A 18 6.978 -0.325 14.571 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.716 -1.629 14.112 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.713 -2.471 15.665 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.926 -1.418 16.540 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.505 -2.352 17.019 1.00 0.00 H new ATOM 293 N PRO A 19 2.935 1.347 10.210 1.00 0.00 N ATOM 294 CA PRO A 19 2.480 2.547 9.485 1.00 0.00 C ATOM 295 C PRO A 19 3.604 3.280 8.754 1.00 0.00 C ATOM 296 O PRO A 19 4.749 3.306 9.205 1.00 0.00 O ATOM 297 CB PRO A 19 1.905 3.402 10.606 1.00 0.00 C ATOM 298 CG PRO A 19 2.568 2.951 11.903 1.00 0.00 C ATOM 299 CD PRO A 19 3.185 1.571 11.652 1.00 0.00 C ATOM 0 HA PRO A 19 1.774 2.306 8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.099 4.459 10.422 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.823 3.282 10.665 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.334 3.663 12.209 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.837 2.903 12.710 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.250 1.558 11.883 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.716 0.802 12.266 1.00 0.00 H new ATOM 307 N LEU A 20 3.250 3.875 7.615 1.00 0.00 N ATOM 308 CA LEU A 20 4.221 4.613 6.810 1.00 0.00 C ATOM 309 C LEU A 20 3.905 6.113 6.841 1.00 0.00 C ATOM 310 O LEU A 20 2.742 6.500 6.950 1.00 0.00 O ATOM 311 CB LEU A 20 4.191 4.147 5.348 1.00 0.00 C ATOM 312 CG LEU A 20 3.863 2.665 5.120 1.00 0.00 C ATOM 313 CD1 LEU A 20 3.104 2.507 3.800 1.00 0.00 C ATOM 314 CD2 LEU A 20 5.164 1.858 5.060 1.00 0.00 C ATOM 0 H LEU A 20 2.305 3.861 7.232 1.00 0.00 H new ATOM 0 HA LEU A 20 5.208 4.425 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.457 4.748 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.163 4.356 4.901 1.00 0.00 H new ATOM 0 HG LEU A 20 3.245 2.299 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.871 1.455 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.179 3.081 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.721 2.872 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.932 0.805 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.782 2.224 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.705 1.970 5.999 1.00 0.00 H new ATOM 326 N PRO A 21 4.927 6.980 6.736 1.00 0.00 N ATOM 327 CA PRO A 21 4.711 8.437 6.743 1.00 0.00 C ATOM 328 C PRO A 21 4.359 8.977 5.359 1.00 0.00 C ATOM 329 O PRO A 21 5.020 8.665 4.370 1.00 0.00 O ATOM 330 CB PRO A 21 6.069 8.963 7.190 1.00 0.00 C ATOM 331 CG PRO A 21 7.101 7.898 6.834 1.00 0.00 C ATOM 332 CD PRO A 21 6.348 6.582 6.608 1.00 0.00 C ATOM 0 HA PRO A 21 3.879 8.736 7.380 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.300 9.905 6.693 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.072 9.160 8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.652 8.183 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.831 7.789 7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.561 6.159 5.626 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.623 5.828 7.346 1.00 0.00 H new ATOM 340 N GLN A 22 3.317 9.802 5.302 1.00 0.00 N ATOM 341 CA GLN A 22 2.897 10.393 4.032 1.00 0.00 C ATOM 342 C GLN A 22 3.914 11.433 3.541 1.00 0.00 C ATOM 343 O GLN A 22 3.835 11.902 2.406 1.00 0.00 O ATOM 344 CB GLN A 22 1.531 11.067 4.186 1.00 0.00 C ATOM 345 CG GLN A 22 0.968 11.414 2.803 1.00 0.00 C ATOM 346 CD GLN A 22 1.219 12.888 2.496 1.00 0.00 C ATOM 347 OE1 GLN A 22 2.079 13.521 3.109 1.00 0.00 O ATOM 348 NE2 GLN A 22 0.512 13.478 1.571 1.00 0.00 N ATOM 0 H GLN A 22 2.754 10.075 6.108 1.00 0.00 H new ATOM 0 HA GLN A 22 2.832 9.588 3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.845 10.404 4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.626 11.971 4.788 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.437 10.790 2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.101 11.204 2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.201 12.955 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.672 14.462 1.357 1.00 0.00 H new ATOM 357 N VAL A 23 4.868 11.795 4.408 1.00 0.00 N ATOM 358 CA VAL A 23 5.890 12.782 4.062 1.00 0.00 C ATOM 359 C VAL A 23 6.599 12.432 2.744 1.00 0.00 C ATOM 360 O VAL A 23 7.150 13.307 2.077 1.00 0.00 O ATOM 361 CB VAL A 23 6.920 12.872 5.201 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.637 11.528 5.366 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.950 13.960 4.893 1.00 0.00 C ATOM 0 H VAL A 23 4.951 11.418 5.352 1.00 0.00 H new ATOM 0 HA VAL A 23 5.397 13.745 3.926 1.00 0.00 H new ATOM 0 HB VAL A 23 6.398 13.120 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.364 11.601 6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.908 10.753 5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.150 11.273 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.675 14.016 5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.465 13.720 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.445 14.921 4.791 1.00 0.00 H new ATOM 373 N LEU A 24 6.590 11.149 2.381 1.00 0.00 N ATOM 374 CA LEU A 24 7.253 10.725 1.144 1.00 0.00 C ATOM 375 C LEU A 24 6.342 9.857 0.263 1.00 0.00 C ATOM 376 O LEU A 24 6.753 9.416 -0.811 1.00 0.00 O ATOM 377 CB LEU A 24 8.558 9.969 1.462 1.00 0.00 C ATOM 378 CG LEU A 24 8.439 8.490 1.884 1.00 0.00 C ATOM 379 CD1 LEU A 24 7.258 8.289 2.837 1.00 0.00 C ATOM 380 CD2 LEU A 24 8.248 7.613 0.644 1.00 0.00 C ATOM 0 H LEU A 24 6.143 10.400 2.910 1.00 0.00 H new ATOM 0 HA LEU A 24 7.487 11.629 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.198 10.017 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.072 10.506 2.259 1.00 0.00 H new ATOM 0 HG LEU A 24 9.356 8.205 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.194 7.239 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.403 8.898 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.335 8.587 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.164 6.569 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.340 7.914 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.104 7.731 -0.020 1.00 0.00 H new ATOM 392 N LEU A 25 5.108 9.615 0.707 1.00 0.00 N ATOM 393 CA LEU A 25 4.180 8.804 -0.078 1.00 0.00 C ATOM 394 C LEU A 25 3.614 9.625 -1.235 1.00 0.00 C ATOM 395 O LEU A 25 3.823 10.835 -1.315 1.00 0.00 O ATOM 396 CB LEU A 25 3.029 8.315 0.805 1.00 0.00 C ATOM 397 CG LEU A 25 2.460 6.939 0.452 1.00 0.00 C ATOM 398 CD1 LEU A 25 3.590 5.907 0.381 1.00 0.00 C ATOM 399 CD2 LEU A 25 1.462 6.523 1.532 1.00 0.00 C ATOM 0 H LEU A 25 4.734 9.962 1.590 1.00 0.00 H new ATOM 0 HA LEU A 25 4.721 7.945 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.374 8.291 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.221 9.045 0.755 1.00 0.00 H new ATOM 0 HG LEU A 25 1.964 6.990 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.176 4.931 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.307 6.205 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.092 5.850 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.051 5.543 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.968 6.475 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.654 7.253 1.582 1.00 0.00 H new ATOM 411 N SER A 26 2.896 8.954 -2.135 1.00 0.00 N ATOM 412 CA SER A 26 2.310 9.639 -3.286 1.00 0.00 C ATOM 413 C SER A 26 0.836 9.268 -3.447 1.00 0.00 C ATOM 414 O SER A 26 -0.052 10.071 -3.164 1.00 0.00 O ATOM 415 CB SER A 26 3.066 9.278 -4.566 1.00 0.00 C ATOM 416 OG SER A 26 4.065 10.259 -4.814 1.00 0.00 O ATOM 0 H SER A 26 2.708 7.952 -2.091 1.00 0.00 H new ATOM 0 HA SER A 26 2.389 10.712 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.523 8.294 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.375 9.225 -5.407 1.00 0.00 H new ATOM 0 HG SER A 26 4.444 10.122 -5.707 1.00 0.00 H new ATOM 422 N SER A 27 0.587 8.046 -3.911 1.00 0.00 N ATOM 423 CA SER A 27 -0.786 7.583 -4.112 1.00 0.00 C ATOM 424 C SER A 27 -0.908 6.098 -3.782 1.00 0.00 C ATOM 425 O SER A 27 0.044 5.469 -3.318 1.00 0.00 O ATOM 426 CB SER A 27 -1.221 7.808 -5.560 1.00 0.00 C ATOM 427 OG SER A 27 -0.467 8.876 -6.120 1.00 0.00 O ATOM 0 H SER A 27 1.307 7.365 -4.153 1.00 0.00 H new ATOM 0 HA SER A 27 -1.431 8.155 -3.445 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.071 6.898 -6.142 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.285 8.040 -5.600 1.00 0.00 H new ATOM 0 HG SER A 27 -0.744 9.020 -7.049 1.00 0.00 H new ATOM 433 N TRP A 28 -2.094 5.545 -4.027 1.00 0.00 N ATOM 434 CA TRP A 28 -2.343 4.128 -3.754 1.00 0.00 C ATOM 435 C TRP A 28 -3.247 3.529 -4.827 1.00 0.00 C ATOM 436 O TRP A 28 -4.195 4.169 -5.283 1.00 0.00 O ATOM 437 CB TRP A 28 -3.017 3.950 -2.390 1.00 0.00 C ATOM 438 CG TRP A 28 -4.215 4.845 -2.299 1.00 0.00 C ATOM 439 CD1 TRP A 28 -4.182 6.149 -1.938 1.00 0.00 C ATOM 440 CD2 TRP A 28 -5.614 4.530 -2.568 1.00 0.00 C ATOM 441 NE1 TRP A 28 -5.469 6.655 -1.968 1.00 0.00 N ATOM 442 CE2 TRP A 28 -6.386 5.696 -2.351 1.00 0.00 C ATOM 443 CE3 TRP A 28 -6.283 3.360 -2.976 1.00 0.00 C ATOM 444 CZ2 TRP A 28 -7.770 5.701 -2.531 1.00 0.00 C ATOM 445 CZ3 TRP A 28 -7.675 3.363 -3.159 1.00 0.00 C ATOM 446 CH2 TRP A 28 -8.417 4.531 -2.936 1.00 0.00 C ATOM 0 H TRP A 28 -2.893 6.050 -4.411 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.381 3.616 -3.755 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.316 2.911 -2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.313 4.186 -1.592 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.295 6.704 -1.670 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.711 7.618 -1.736 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.721 2.454 -3.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.337 6.604 -2.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.177 2.460 -3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.488 4.526 -3.077 1.00 0.00 H new ATOM 457 N TYR A 29 -2.955 2.288 -5.220 1.00 0.00 N ATOM 458 CA TYR A 29 -3.766 1.618 -6.235 1.00 0.00 C ATOM 459 C TYR A 29 -4.419 0.352 -5.643 1.00 0.00 C ATOM 460 O TYR A 29 -3.755 -0.418 -4.950 1.00 0.00 O ATOM 461 CB TYR A 29 -2.914 1.273 -7.478 1.00 0.00 C ATOM 462 CG TYR A 29 -2.039 0.050 -7.254 1.00 0.00 C ATOM 463 CD1 TYR A 29 -0.785 0.175 -6.640 1.00 0.00 C ATOM 464 CD2 TYR A 29 -2.483 -1.207 -7.684 1.00 0.00 C ATOM 465 CE1 TYR A 29 0.018 -0.956 -6.455 1.00 0.00 C ATOM 466 CE2 TYR A 29 -1.678 -2.337 -7.500 1.00 0.00 C ATOM 467 CZ TYR A 29 -0.427 -2.211 -6.887 1.00 0.00 C ATOM 468 OH TYR A 29 0.367 -3.325 -6.705 1.00 0.00 O ATOM 0 H TYR A 29 -2.178 1.736 -4.858 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.557 2.297 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.572 1.096 -8.329 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.285 2.126 -7.733 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.439 1.143 -6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.448 -1.304 -8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.982 -0.861 -5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.022 -3.306 -7.831 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.091 -4.115 -7.060 1.00 0.00 H new ATOM 478 N PRO A 30 -5.722 0.118 -5.896 1.00 0.00 N ATOM 479 CA PRO A 30 -6.414 -1.066 -5.357 1.00 0.00 C ATOM 480 C PRO A 30 -6.185 -2.320 -6.198 1.00 0.00 C ATOM 481 O PRO A 30 -5.852 -2.241 -7.381 1.00 0.00 O ATOM 482 CB PRO A 30 -7.876 -0.642 -5.411 1.00 0.00 C ATOM 483 CG PRO A 30 -7.990 0.438 -6.481 1.00 0.00 C ATOM 484 CD PRO A 30 -6.584 0.997 -6.723 1.00 0.00 C ATOM 0 HA PRO A 30 -6.059 -1.338 -4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.515 -1.492 -5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.203 -0.262 -4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.402 0.024 -7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.666 1.229 -6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.310 0.954 -7.777 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.507 2.040 -6.416 1.00 0.00 H new ATOM 492 N THR A 31 -6.374 -3.477 -5.570 1.00 0.00 N ATOM 493 CA THR A 31 -6.192 -4.749 -6.264 1.00 0.00 C ATOM 494 C THR A 31 -7.516 -5.502 -6.341 1.00 0.00 C ATOM 495 O THR A 31 -8.539 -5.045 -5.830 1.00 0.00 O ATOM 496 CB THR A 31 -5.158 -5.613 -5.534 1.00 0.00 C ATOM 497 OG1 THR A 31 -5.061 -6.882 -6.167 1.00 0.00 O ATOM 498 CG2 THR A 31 -5.581 -5.799 -4.075 1.00 0.00 C ATOM 0 H THR A 31 -6.650 -3.561 -4.592 1.00 0.00 H new ATOM 0 HA THR A 31 -5.836 -4.540 -7.273 1.00 0.00 H new ATOM 0 HB THR A 31 -4.188 -5.118 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.191 -7.284 -5.962 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.844 -6.414 -3.558 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.647 -4.826 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.553 -6.290 -4.038 1.00 0.00 H new ATOM 506 N SER A 32 -7.485 -6.663 -6.985 1.00 0.00 N ATOM 507 CA SER A 32 -8.686 -7.480 -7.126 1.00 0.00 C ATOM 508 C SER A 32 -9.146 -7.989 -5.763 1.00 0.00 C ATOM 509 O SER A 32 -8.340 -8.444 -4.951 1.00 0.00 O ATOM 510 CB SER A 32 -8.417 -8.675 -8.041 1.00 0.00 C ATOM 511 OG SER A 32 -8.702 -8.311 -9.385 1.00 0.00 O ATOM 0 H SER A 32 -6.649 -7.058 -7.415 1.00 0.00 H new ATOM 0 HA SER A 32 -9.467 -6.858 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.378 -8.990 -7.950 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.035 -9.522 -7.743 1.00 0.00 H new ATOM 0 HG SER A 32 -8.529 -9.075 -9.974 1.00 0.00 H new ATOM 517 N GLN A 33 -10.451 -7.904 -5.521 1.00 0.00 N ATOM 518 CA GLN A 33 -11.013 -8.354 -4.256 1.00 0.00 C ATOM 519 C GLN A 33 -11.595 -9.761 -4.391 1.00 0.00 C ATOM 520 O GLN A 33 -12.539 -10.126 -3.689 1.00 0.00 O ATOM 521 CB GLN A 33 -12.119 -7.402 -3.801 1.00 0.00 C ATOM 522 CG GLN A 33 -13.152 -7.227 -4.919 1.00 0.00 C ATOM 523 CD GLN A 33 -12.881 -5.925 -5.670 1.00 0.00 C ATOM 524 OE1 GLN A 33 -11.732 -5.500 -5.795 1.00 0.00 O ATOM 525 NE2 GLN A 33 -13.881 -5.262 -6.182 1.00 0.00 N ATOM 0 H GLN A 33 -11.133 -7.530 -6.181 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.210 -8.367 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.602 -7.794 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.691 -6.435 -3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -13.105 -8.071 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -14.158 -7.214 -4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -14.833 -5.614 -6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.711 -4.392 -6.686 1.00 0.00 H new ATOM 534 N LEU A 34 -11.022 -10.547 -5.299 1.00 0.00 N ATOM 535 CA LEU A 34 -11.492 -11.912 -5.517 1.00 0.00 C ATOM 536 C LEU A 34 -10.791 -12.879 -4.566 1.00 0.00 C ATOM 537 O LEU A 34 -11.355 -13.897 -4.166 1.00 0.00 O ATOM 538 CB LEU A 34 -11.218 -12.348 -6.958 1.00 0.00 C ATOM 539 CG LEU A 34 -11.407 -11.258 -8.016 1.00 0.00 C ATOM 540 CD1 LEU A 34 -10.633 -11.633 -9.279 1.00 0.00 C ATOM 541 CD2 LEU A 34 -12.895 -11.127 -8.348 1.00 0.00 C ATOM 0 H LEU A 34 -10.240 -10.266 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.565 -11.931 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.195 -12.719 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.875 -13.184 -7.199 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.034 -10.308 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.768 -10.857 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.573 -11.728 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.005 -12.582 -9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.033 -10.351 -9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.267 -12.077 -8.733 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.447 -10.860 -7.447 1.00 0.00 H new ATOM 553 N CYS A 35 -9.550 -12.549 -4.210 1.00 0.00 N ATOM 554 CA CYS A 35 -8.772 -13.395 -3.306 1.00 0.00 C ATOM 555 C CYS A 35 -9.481 -13.539 -1.961 1.00 0.00 C ATOM 556 O CYS A 35 -10.605 -13.072 -1.781 1.00 0.00 O ATOM 557 CB CYS A 35 -7.383 -12.797 -3.078 1.00 0.00 C ATOM 558 SG CYS A 35 -6.560 -12.551 -4.671 1.00 0.00 S ATOM 0 H CYS A 35 -9.066 -11.710 -4.530 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.673 -14.377 -3.768 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.467 -11.847 -2.550 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.789 -13.460 -2.449 1.00 0.00 H new ATOM 563 N SER A 36 -8.809 -14.197 -1.020 1.00 0.00 N ATOM 564 CA SER A 36 -9.380 -14.406 0.308 1.00 0.00 C ATOM 565 C SER A 36 -9.078 -13.221 1.221 1.00 0.00 C ATOM 566 O SER A 36 -9.850 -12.906 2.125 1.00 0.00 O ATOM 567 CB SER A 36 -8.811 -15.677 0.939 1.00 0.00 C ATOM 568 OG SER A 36 -9.347 -16.812 0.272 1.00 0.00 O ATOM 0 H SER A 36 -7.877 -14.591 -1.150 1.00 0.00 H new ATOM 0 HA SER A 36 -10.459 -14.505 0.194 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.723 -15.678 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.059 -15.713 2.000 1.00 0.00 H new ATOM 0 HG SER A 36 -8.983 -17.629 0.673 1.00 0.00 H new ATOM 574 N LYS A 37 -7.943 -12.567 0.978 1.00 0.00 N ATOM 575 CA LYS A 37 -7.553 -11.418 1.791 1.00 0.00 C ATOM 576 C LYS A 37 -7.012 -10.289 0.907 1.00 0.00 C ATOM 577 O LYS A 37 -5.800 -10.136 0.758 1.00 0.00 O ATOM 578 CB LYS A 37 -6.482 -11.817 2.814 1.00 0.00 C ATOM 579 CG LYS A 37 -5.298 -12.474 2.099 1.00 0.00 C ATOM 580 CD LYS A 37 -4.610 -13.455 3.050 1.00 0.00 C ATOM 581 CE LYS A 37 -3.568 -14.269 2.279 1.00 0.00 C ATOM 582 NZ LYS A 37 -2.786 -15.105 3.232 1.00 0.00 N ATOM 0 H LYS A 37 -7.286 -12.809 0.236 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.440 -11.067 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.145 -10.937 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.904 -12.506 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.643 -12.997 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.590 -11.713 1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.132 -12.912 3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.347 -14.121 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.060 -14.903 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.901 -13.602 1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.078 -15.658 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.306 -14.490 3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.428 -15.751 3.734 1.00 0.00 H new ATOM 596 N PRO A 38 -7.901 -9.477 0.308 1.00 0.00 N ATOM 597 CA PRO A 38 -7.478 -8.362 -0.558 1.00 0.00 C ATOM 598 C PRO A 38 -7.117 -7.107 0.234 1.00 0.00 C ATOM 599 O PRO A 38 -7.276 -7.058 1.454 1.00 0.00 O ATOM 600 CB PRO A 38 -8.720 -8.124 -1.408 1.00 0.00 C ATOM 601 CG PRO A 38 -9.913 -8.653 -0.618 1.00 0.00 C ATOM 602 CD PRO A 38 -9.370 -9.611 0.448 1.00 0.00 C ATOM 0 HA PRO A 38 -6.578 -8.592 -1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.841 -7.062 -1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.635 -8.636 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.460 -7.832 -0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.611 -9.169 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.706 -9.334 1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.699 -10.635 0.274 1.00 0.00 H new ATOM 610 N GLY A 39 -6.628 -6.095 -0.477 1.00 0.00 N ATOM 611 CA GLY A 39 -6.244 -4.839 0.163 1.00 0.00 C ATOM 612 C GLY A 39 -5.806 -3.818 -0.879 1.00 0.00 C ATOM 613 O GLY A 39 -6.284 -3.824 -2.014 1.00 0.00 O ATOM 0 H GLY A 39 -6.489 -6.118 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.084 -4.445 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.433 -5.017 0.869 1.00 0.00 H new ATOM 617 N VAL A 40 -4.887 -2.941 -0.486 1.00 0.00 N ATOM 618 CA VAL A 40 -4.389 -1.918 -1.404 1.00 0.00 C ATOM 619 C VAL A 40 -2.879 -1.763 -1.267 1.00 0.00 C ATOM 620 O VAL A 40 -2.329 -1.826 -0.169 1.00 0.00 O ATOM 621 CB VAL A 40 -5.044 -0.561 -1.131 1.00 0.00 C ATOM 622 CG1 VAL A 40 -4.729 0.397 -2.278 1.00 0.00 C ATOM 623 CG2 VAL A 40 -6.561 -0.730 -1.017 1.00 0.00 C ATOM 0 H VAL A 40 -4.476 -2.916 0.447 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.640 -2.243 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.654 -0.157 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.195 1.363 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.650 0.525 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.117 -0.012 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.021 0.239 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.953 -1.138 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.791 -1.412 -0.198 1.00 0.00 H new ATOM 633 N ILE A 41 -2.222 -1.551 -2.400 1.00 0.00 N ATOM 634 CA ILE A 41 -0.776 -1.376 -2.413 1.00 0.00 C ATOM 635 C ILE A 41 -0.437 0.092 -2.684 1.00 0.00 C ATOM 636 O ILE A 41 -0.666 0.607 -3.778 1.00 0.00 O ATOM 637 CB ILE A 41 -0.150 -2.283 -3.488 1.00 0.00 C ATOM 638 CG1 ILE A 41 -0.251 -3.737 -3.024 1.00 0.00 C ATOM 639 CG2 ILE A 41 1.328 -1.934 -3.720 1.00 0.00 C ATOM 640 CD1 ILE A 41 -1.684 -4.242 -3.218 1.00 0.00 C ATOM 0 H ILE A 41 -2.665 -1.496 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.367 -1.656 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.689 -2.135 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.444 -4.358 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.033 -3.815 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.742 -2.592 -4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.410 -0.898 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.883 -2.064 -2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.753 -5.278 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.369 -3.628 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.952 -4.180 -4.273 1.00 0.00 H new ATOM 652 N PHE A 42 0.118 0.753 -1.672 1.00 0.00 N ATOM 653 CA PHE A 42 0.494 2.155 -1.813 1.00 0.00 C ATOM 654 C PHE A 42 1.699 2.280 -2.735 1.00 0.00 C ATOM 655 O PHE A 42 2.403 1.306 -2.994 1.00 0.00 O ATOM 656 CB PHE A 42 0.845 2.761 -0.450 1.00 0.00 C ATOM 657 CG PHE A 42 -0.392 3.371 0.162 1.00 0.00 C ATOM 658 CD1 PHE A 42 -1.339 2.554 0.790 1.00 0.00 C ATOM 659 CD2 PHE A 42 -0.592 4.755 0.098 1.00 0.00 C ATOM 660 CE1 PHE A 42 -2.487 3.122 1.356 1.00 0.00 C ATOM 661 CE2 PHE A 42 -1.740 5.322 0.663 1.00 0.00 C ATOM 662 CZ PHE A 42 -2.688 4.506 1.292 1.00 0.00 C ATOM 0 H PHE A 42 0.315 0.347 -0.757 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.354 2.693 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.249 1.992 0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.619 3.520 -0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.184 1.486 0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.139 5.385 -0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.218 2.492 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.895 6.390 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.574 4.944 1.728 1.00 0.00 H new ATOM 672 N LEU A 43 1.927 3.493 -3.226 1.00 0.00 N ATOM 673 CA LEU A 43 3.053 3.744 -4.118 1.00 0.00 C ATOM 674 C LEU A 43 3.743 5.045 -3.735 1.00 0.00 C ATOM 675 O LEU A 43 3.268 6.132 -4.061 1.00 0.00 O ATOM 676 CB LEU A 43 2.578 3.846 -5.568 1.00 0.00 C ATOM 677 CG LEU A 43 1.738 2.667 -6.063 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.777 3.147 -7.153 1.00 0.00 C ATOM 679 CD2 LEU A 43 2.664 1.593 -6.638 1.00 0.00 C ATOM 0 H LEU A 43 1.353 4.311 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 43 3.751 2.912 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.994 4.759 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.451 3.946 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 43 1.167 2.252 -5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.178 2.307 -7.506 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.120 3.915 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.347 3.561 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.069 0.751 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.233 2.010 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.351 1.252 -5.863 1.00 0.00 H new ATOM 691 N THR A 44 4.873 4.930 -3.042 1.00 0.00 N ATOM 692 CA THR A 44 5.614 6.116 -2.630 1.00 0.00 C ATOM 693 C THR A 44 6.115 6.870 -3.856 1.00 0.00 C ATOM 694 O THR A 44 6.035 6.375 -4.980 1.00 0.00 O ATOM 695 CB THR A 44 6.807 5.723 -1.761 1.00 0.00 C ATOM 696 OG1 THR A 44 7.691 4.910 -2.519 1.00 0.00 O ATOM 697 CG2 THR A 44 6.320 4.946 -0.537 1.00 0.00 C ATOM 0 H THR A 44 5.289 4.043 -2.758 1.00 0.00 H new ATOM 0 HA THR A 44 4.946 6.756 -2.054 1.00 0.00 H new ATOM 0 HB THR A 44 7.328 6.622 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.223 4.565 -3.308 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.174 4.667 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.641 5.570 0.044 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.798 4.046 -0.862 1.00 0.00 H new ATOM 705 N LYS A 45 6.635 8.073 -3.630 1.00 0.00 N ATOM 706 CA LYS A 45 7.148 8.887 -4.732 1.00 0.00 C ATOM 707 C LYS A 45 8.288 8.161 -5.441 1.00 0.00 C ATOM 708 O LYS A 45 8.242 7.932 -6.650 1.00 0.00 O ATOM 709 CB LYS A 45 7.660 10.231 -4.211 1.00 0.00 C ATOM 710 CG LYS A 45 6.512 10.991 -3.544 1.00 0.00 C ATOM 711 CD LYS A 45 7.068 11.881 -2.429 1.00 0.00 C ATOM 712 CE LYS A 45 7.696 13.133 -3.042 1.00 0.00 C ATOM 713 NZ LYS A 45 8.245 13.995 -1.957 1.00 0.00 N ATOM 0 H LYS A 45 6.713 8.503 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 45 6.332 9.058 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.468 10.072 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.071 10.819 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.987 11.599 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.786 10.288 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.271 12.161 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.812 11.334 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.489 12.853 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.950 13.683 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.672 14.847 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.478 14.272 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.969 13.468 -1.428 1.00 0.00 H new ATOM 727 N ARG A 46 9.312 7.808 -4.672 1.00 0.00 N ATOM 728 CA ARG A 46 10.469 7.110 -5.229 1.00 0.00 C ATOM 729 C ARG A 46 10.854 5.882 -4.392 1.00 0.00 C ATOM 730 O ARG A 46 11.843 5.212 -4.688 1.00 0.00 O ATOM 731 CB ARG A 46 11.667 8.052 -5.275 1.00 0.00 C ATOM 732 CG ARG A 46 12.793 7.412 -6.089 1.00 0.00 C ATOM 733 CD ARG A 46 13.644 8.507 -6.734 1.00 0.00 C ATOM 734 NE ARG A 46 14.586 9.069 -5.763 1.00 0.00 N ATOM 735 CZ ARG A 46 15.277 10.192 -6.008 1.00 0.00 C ATOM 736 NH1 ARG A 46 15.140 10.843 -7.138 1.00 0.00 N ATOM 737 NH2 ARG A 46 16.102 10.645 -5.104 1.00 0.00 N ATOM 0 H ARG A 46 9.367 7.991 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 46 10.195 6.780 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.377 9.003 -5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.013 8.267 -4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.412 6.788 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.376 6.761 -6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.191 8.097 -7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.999 9.296 -7.121 1.00 0.00 H new ATOM 0 HE ARG A 46 14.721 8.591 -4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.498 10.497 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.675 11.695 -7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.216 10.146 -4.222 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.633 11.498 -5.280 1.00 0.00 H new ATOM 751 N GLY A 47 10.082 5.594 -3.344 1.00 0.00 N ATOM 752 CA GLY A 47 10.382 4.454 -2.488 1.00 0.00 C ATOM 753 C GLY A 47 9.973 3.143 -3.148 1.00 0.00 C ATOM 754 O GLY A 47 10.585 2.700 -4.119 1.00 0.00 O ATOM 0 H GLY A 47 9.256 6.128 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.449 4.434 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.860 4.563 -1.537 1.00 0.00 H new ATOM 758 N ARG A 48 8.935 2.520 -2.597 1.00 0.00 N ATOM 759 CA ARG A 48 8.454 1.246 -3.130 1.00 0.00 C ATOM 760 C ARG A 48 6.964 1.069 -2.842 1.00 0.00 C ATOM 761 O ARG A 48 6.301 1.975 -2.336 1.00 0.00 O ATOM 762 CB ARG A 48 9.234 0.084 -2.502 1.00 0.00 C ATOM 763 CG ARG A 48 10.365 -0.344 -3.440 1.00 0.00 C ATOM 764 CD ARG A 48 11.137 -1.506 -2.812 1.00 0.00 C ATOM 765 NE ARG A 48 12.160 -2.005 -3.735 1.00 0.00 N ATOM 766 CZ ARG A 48 11.858 -2.798 -4.772 1.00 0.00 C ATOM 767 NH1 ARG A 48 10.622 -3.167 -5.010 1.00 0.00 N ATOM 768 NH2 ARG A 48 12.812 -3.212 -5.561 1.00 0.00 N ATOM 0 H ARG A 48 8.415 2.870 -1.792 1.00 0.00 H new ATOM 0 HA ARG A 48 8.609 1.248 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.643 0.387 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.566 -0.757 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.957 -0.644 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.036 0.495 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.606 -1.179 -1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.448 -2.311 -2.555 1.00 0.00 H new ATOM 0 HE ARG A 48 13.133 -1.740 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.869 -2.850 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.414 -3.771 -5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.777 -2.932 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.593 -3.816 -6.353 1.00 0.00 H new ATOM 782 N GLN A 49 6.451 -0.118 -3.162 1.00 0.00 N ATOM 783 CA GLN A 49 5.042 -0.418 -2.926 1.00 0.00 C ATOM 784 C GLN A 49 4.843 -0.902 -1.491 1.00 0.00 C ATOM 785 O GLN A 49 5.803 -1.241 -0.800 1.00 0.00 O ATOM 786 CB GLN A 49 4.554 -1.502 -3.892 1.00 0.00 C ATOM 787 CG GLN A 49 3.956 -0.846 -5.137 1.00 0.00 C ATOM 788 CD GLN A 49 5.080 -0.372 -6.053 1.00 0.00 C ATOM 789 OE1 GLN A 49 5.701 0.660 -5.801 1.00 0.00 O ATOM 790 NE2 GLN A 49 5.382 -1.074 -7.112 1.00 0.00 N ATOM 0 H GLN A 49 6.984 -0.880 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 49 4.467 0.494 -3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.382 -2.153 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.807 -2.129 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.318 -1.556 -5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.327 -0.004 -4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.867 -1.929 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.133 -0.767 -7.730 1.00 0.00 H new ATOM 799 N VAL A 50 3.587 -0.927 -1.048 1.00 0.00 N ATOM 800 CA VAL A 50 3.286 -1.368 0.315 1.00 0.00 C ATOM 801 C VAL A 50 1.862 -1.915 0.410 1.00 0.00 C ATOM 802 O VAL A 50 0.888 -1.172 0.298 1.00 0.00 O ATOM 803 CB VAL A 50 3.438 -0.198 1.298 1.00 0.00 C ATOM 804 CG1 VAL A 50 3.097 -0.646 2.725 1.00 0.00 C ATOM 805 CG2 VAL A 50 4.881 0.301 1.273 1.00 0.00 C ATOM 0 H VAL A 50 2.774 -0.653 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 50 3.990 -2.160 0.572 1.00 0.00 H new ATOM 0 HB VAL A 50 2.756 0.598 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.210 0.196 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.068 -1.004 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.770 -1.449 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.991 1.132 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.551 -0.508 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.133 0.636 0.267 1.00 0.00 H new ATOM 815 N CYS A 51 1.759 -3.217 0.657 1.00 0.00 N ATOM 816 CA CYS A 51 0.455 -3.849 0.806 1.00 0.00 C ATOM 817 C CYS A 51 -0.148 -3.442 2.147 1.00 0.00 C ATOM 818 O CYS A 51 0.300 -3.891 3.202 1.00 0.00 O ATOM 819 CB CYS A 51 0.589 -5.373 0.763 1.00 0.00 C ATOM 820 SG CYS A 51 1.337 -5.868 -0.809 1.00 0.00 S ATOM 0 H CYS A 51 2.554 -3.848 0.757 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.188 -3.526 -0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.203 -5.719 1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.390 -5.838 0.875 1.00 0.00 H new ATOM 825 N ALA A 52 -1.153 -2.572 2.103 1.00 0.00 N ATOM 826 CA ALA A 52 -1.783 -2.104 3.335 1.00 0.00 C ATOM 827 C ALA A 52 -3.258 -2.487 3.375 1.00 0.00 C ATOM 828 O ALA A 52 -3.953 -2.452 2.359 1.00 0.00 O ATOM 829 CB ALA A 52 -1.664 -0.583 3.444 1.00 0.00 C ATOM 0 H ALA A 52 -1.543 -2.182 1.245 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.269 -2.578 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.137 -0.246 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.611 -0.300 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.158 -0.117 2.591 1.00 0.00 H new ATOM 835 N ASP A 53 -3.728 -2.846 4.566 1.00 0.00 N ATOM 836 CA ASP A 53 -5.126 -3.226 4.742 1.00 0.00 C ATOM 837 C ASP A 53 -5.952 -2.005 5.132 1.00 0.00 C ATOM 838 O ASP A 53 -5.596 -1.265 6.048 1.00 0.00 O ATOM 839 CB ASP A 53 -5.258 -4.292 5.835 1.00 0.00 C ATOM 840 CG ASP A 53 -5.245 -5.679 5.201 1.00 0.00 C ATOM 841 OD1 ASP A 53 -5.925 -5.860 4.204 1.00 0.00 O ATOM 842 OD2 ASP A 53 -4.555 -6.540 5.722 1.00 0.00 O ATOM 0 H ASP A 53 -3.167 -2.882 5.417 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.493 -3.632 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.439 -4.199 6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.183 -4.144 6.391 1.00 0.00 H new ATOM 847 N LYS A 54 -7.061 -1.803 4.426 1.00 0.00 N ATOM 848 CA LYS A 54 -7.935 -0.666 4.706 1.00 0.00 C ATOM 849 C LYS A 54 -8.446 -0.715 6.145 1.00 0.00 C ATOM 850 O LYS A 54 -8.736 0.317 6.750 1.00 0.00 O ATOM 851 CB LYS A 54 -9.132 -0.661 3.752 1.00 0.00 C ATOM 852 CG LYS A 54 -9.841 -2.016 3.816 1.00 0.00 C ATOM 853 CD LYS A 54 -11.215 -1.904 3.155 1.00 0.00 C ATOM 854 CE LYS A 54 -11.912 -3.265 3.194 1.00 0.00 C ATOM 855 NZ LYS A 54 -12.691 -3.387 4.460 1.00 0.00 N ATOM 0 H LYS A 54 -7.374 -2.404 3.664 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.351 0.243 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.824 0.137 4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.798 -0.461 2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.244 -2.775 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.949 -2.333 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.820 -1.159 3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.108 -1.568 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.574 -3.371 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.175 -4.065 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.165 -4.312 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.048 -3.303 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.404 -2.631 4.503 1.00 0.00 H new ATOM 869 N SER A 55 -8.552 -1.928 6.688 1.00 0.00 N ATOM 870 CA SER A 55 -9.026 -2.103 8.059 1.00 0.00 C ATOM 871 C SER A 55 -8.135 -1.343 9.044 1.00 0.00 C ATOM 872 O SER A 55 -8.583 -0.930 10.114 1.00 0.00 O ATOM 873 CB SER A 55 -9.040 -3.586 8.433 1.00 0.00 C ATOM 874 OG SER A 55 -10.348 -4.108 8.233 1.00 0.00 O ATOM 0 H SER A 55 -8.318 -2.795 6.205 1.00 0.00 H new ATOM 0 HA SER A 55 -10.039 -1.704 8.116 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.320 -4.133 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.740 -3.714 9.473 1.00 0.00 H new ATOM 0 HG SER A 55 -10.361 -5.059 8.470 1.00 0.00 H new ATOM 880 N LYS A 56 -6.868 -1.163 8.671 1.00 0.00 N ATOM 881 CA LYS A 56 -5.922 -0.451 9.528 1.00 0.00 C ATOM 882 C LYS A 56 -6.411 0.969 9.802 1.00 0.00 C ATOM 883 O LYS A 56 -7.488 1.367 9.359 1.00 0.00 O ATOM 884 CB LYS A 56 -4.544 -0.385 8.866 1.00 0.00 C ATOM 885 CG LYS A 56 -3.914 -1.779 8.857 1.00 0.00 C ATOM 886 CD LYS A 56 -3.349 -2.092 10.243 1.00 0.00 C ATOM 887 CE LYS A 56 -3.341 -3.606 10.462 1.00 0.00 C ATOM 888 NZ LYS A 56 -2.012 -4.158 10.073 1.00 0.00 N ATOM 0 H LYS A 56 -6.476 -1.497 7.790 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.847 -0.996 10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.636 -0.010 7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.903 0.312 9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.659 -2.525 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.121 -1.827 8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.338 -1.696 10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.951 -1.606 11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.549 -3.834 11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.128 -4.074 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.007 -5.187 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.831 -3.952 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.270 -3.720 10.656 1.00 0.00 H new ATOM 902 N ASP A 57 -5.607 1.729 10.542 1.00 0.00 N ATOM 903 CA ASP A 57 -5.971 3.104 10.874 1.00 0.00 C ATOM 904 C ASP A 57 -5.129 4.093 10.072 1.00 0.00 C ATOM 905 O ASP A 57 -5.644 5.074 9.537 1.00 0.00 O ATOM 906 CB ASP A 57 -5.762 3.368 12.366 1.00 0.00 C ATOM 907 CG ASP A 57 -6.667 2.447 13.177 1.00 0.00 C ATOM 908 OD1 ASP A 57 -6.756 1.281 12.831 1.00 0.00 O ATOM 909 OD2 ASP A 57 -7.258 2.923 14.132 1.00 0.00 O ATOM 0 H ASP A 57 -4.711 1.421 10.919 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.023 3.240 10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.719 3.198 12.634 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.985 4.410 12.597 1.00 0.00 H new ATOM 914 N TRP A 58 -3.828 3.827 10.000 1.00 0.00 N ATOM 915 CA TRP A 58 -2.927 4.710 9.263 1.00 0.00 C ATOM 916 C TRP A 58 -3.178 4.614 7.761 1.00 0.00 C ATOM 917 O TRP A 58 -2.950 5.571 7.021 1.00 0.00 O ATOM 918 CB TRP A 58 -1.459 4.379 9.560 1.00 0.00 C ATOM 919 CG TRP A 58 -1.149 2.954 9.210 1.00 0.00 C ATOM 920 CD1 TRP A 58 -1.303 1.899 10.043 1.00 0.00 C ATOM 921 CD2 TRP A 58 -0.611 2.416 7.966 1.00 0.00 C ATOM 922 NE1 TRP A 58 -0.894 0.749 9.390 1.00 0.00 N ATOM 923 CE2 TRP A 58 -0.460 1.015 8.106 1.00 0.00 C ATOM 924 CE3 TRP A 58 -0.241 3.002 6.744 1.00 0.00 C ATOM 925 CZ2 TRP A 58 0.041 0.225 7.066 1.00 0.00 C ATOM 926 CZ3 TRP A 58 0.263 2.211 5.698 1.00 0.00 C ATOM 927 CH2 TRP A 58 0.403 0.826 5.859 1.00 0.00 C ATOM 0 H TRP A 58 -3.379 3.021 10.435 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.130 5.729 9.593 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.810 5.046 8.993 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.250 4.552 10.616 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.683 1.946 11.053 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.911 -0.182 9.807 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.345 4.068 6.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.147 -0.842 7.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.544 2.673 4.763 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.791 0.224 5.050 1.00 0.00 H new ATOM 938 N VAL A 59 -3.658 3.457 7.318 1.00 0.00 N ATOM 939 CA VAL A 59 -3.944 3.262 5.899 1.00 0.00 C ATOM 940 C VAL A 59 -5.200 4.030 5.508 1.00 0.00 C ATOM 941 O VAL A 59 -5.313 4.540 4.393 1.00 0.00 O ATOM 942 CB VAL A 59 -4.145 1.777 5.589 1.00 0.00 C ATOM 943 CG1 VAL A 59 -4.253 1.581 4.075 1.00 0.00 C ATOM 944 CG2 VAL A 59 -2.951 0.982 6.119 1.00 0.00 C ATOM 0 H VAL A 59 -3.855 2.650 7.910 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.094 3.634 5.326 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.060 1.427 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.396 0.523 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.102 2.149 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.338 1.931 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.092 -0.076 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.038 1.334 5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.871 1.121 7.197 1.00 0.00 H new ATOM 954 N LYS A 60 -6.143 4.109 6.442 1.00 0.00 N ATOM 955 CA LYS A 60 -7.396 4.817 6.193 1.00 0.00 C ATOM 956 C LYS A 60 -7.138 6.304 5.973 1.00 0.00 C ATOM 957 O LYS A 60 -7.682 6.914 5.052 1.00 0.00 O ATOM 958 CB LYS A 60 -8.346 4.646 7.380 1.00 0.00 C ATOM 959 CG LYS A 60 -9.767 5.020 6.954 1.00 0.00 C ATOM 960 CD LYS A 60 -10.601 5.353 8.193 1.00 0.00 C ATOM 961 CE LYS A 60 -11.908 6.024 7.765 1.00 0.00 C ATOM 962 NZ LYS A 60 -12.971 4.991 7.616 1.00 0.00 N ATOM 0 H LYS A 60 -6.066 3.695 7.371 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.850 4.394 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.320 3.616 7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.026 5.276 8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.742 5.875 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.223 4.195 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.814 4.444 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.041 6.014 8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.208 6.766 8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.766 6.553 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.859 5.447 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.684 4.299 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.112 4.505 8.524 1.00 0.00 H new ATOM 976 N LYS A 61 -6.303 6.884 6.832 1.00 0.00 N ATOM 977 CA LYS A 61 -5.979 8.305 6.726 1.00 0.00 C ATOM 978 C LYS A 61 -5.333 8.611 5.380 1.00 0.00 C ATOM 979 O LYS A 61 -5.671 9.596 4.723 1.00 0.00 O ATOM 980 CB LYS A 61 -5.024 8.725 7.846 1.00 0.00 C ATOM 981 CG LYS A 61 -5.765 8.699 9.185 1.00 0.00 C ATOM 982 CD LYS A 61 -4.751 8.612 10.326 1.00 0.00 C ATOM 983 CE LYS A 61 -3.974 9.926 10.423 1.00 0.00 C ATOM 984 NZ LYS A 61 -4.669 10.846 11.368 1.00 0.00 N ATOM 0 H LYS A 61 -5.842 6.398 7.602 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.910 8.865 6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.167 8.052 7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.636 9.725 7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.374 9.596 9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.443 7.847 9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.263 8.410 11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.064 7.783 10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.957 9.735 10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.897 10.389 9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.141 11.740 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.631 11.037 11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.721 10.404 12.308 1.00 0.00 H new ATOM 998 N LEU A 62 -4.401 7.754 4.971 1.00 0.00 N ATOM 999 CA LEU A 62 -3.718 7.941 3.694 1.00 0.00 C ATOM 1000 C LEU A 62 -4.720 7.888 2.551 1.00 0.00 C ATOM 1001 O LEU A 62 -4.666 8.684 1.617 1.00 0.00 O ATOM 1002 CB LEU A 62 -2.676 6.851 3.475 1.00 0.00 C ATOM 1003 CG LEU A 62 -1.506 6.862 4.456 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -0.986 5.438 4.635 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -0.386 7.748 3.904 1.00 0.00 C ATOM 0 H LEU A 62 -4.104 6.933 5.498 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.227 8.914 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.170 5.881 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.282 6.946 2.463 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.838 7.254 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.150 5.441 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.784 4.806 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.652 5.049 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.450 7.756 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.051 7.355 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.758 8.764 3.771 1.00 0.00 H new ATOM 1017 N MET A 63 -5.639 6.932 2.641 1.00 0.00 N ATOM 1018 CA MET A 63 -6.670 6.764 1.612 1.00 0.00 C ATOM 1019 C MET A 63 -7.410 8.078 1.365 1.00 0.00 C ATOM 1020 O MET A 63 -7.784 8.395 0.235 1.00 0.00 O ATOM 1021 CB MET A 63 -7.685 5.702 2.038 1.00 0.00 C ATOM 1022 CG MET A 63 -7.107 4.308 1.784 1.00 0.00 C ATOM 1023 SD MET A 63 -8.438 3.169 1.323 1.00 0.00 S ATOM 1024 CE MET A 63 -7.735 2.628 -0.253 1.00 0.00 C ATOM 0 H MET A 63 -5.695 6.263 3.409 1.00 0.00 H new ATOM 0 HA MET A 63 -6.172 6.450 0.695 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.927 5.819 3.094 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.614 5.828 1.482 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.362 4.352 0.990 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.599 3.946 2.678 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.503 2.126 -0.841 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.366 3.494 -0.803 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.912 1.938 -0.067 1.00 0.00 H new ATOM 1034 N GLN A 64 -7.613 8.836 2.438 1.00 0.00 N ATOM 1035 CA GLN A 64 -8.306 10.117 2.332 1.00 0.00 C ATOM 1036 C GLN A 64 -7.319 11.232 1.989 1.00 0.00 C ATOM 1037 O GLN A 64 -7.665 12.199 1.311 1.00 0.00 O ATOM 1038 CB GLN A 64 -9.004 10.457 3.651 1.00 0.00 C ATOM 1039 CG GLN A 64 -10.440 9.928 3.619 1.00 0.00 C ATOM 1040 CD GLN A 64 -11.382 11.031 3.150 1.00 0.00 C ATOM 1041 OE1 GLN A 64 -11.526 11.265 1.950 1.00 0.00 O ATOM 1042 NE2 GLN A 64 -12.038 11.732 4.034 1.00 0.00 N ATOM 0 H GLN A 64 -7.312 8.590 3.381 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.049 10.034 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.461 10.016 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.006 11.536 3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.507 9.070 2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.733 9.583 4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.919 11.539 5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.670 12.473 3.730 1.00 0.00 H new ATOM 1051 N GLN A 65 -6.086 11.085 2.468 1.00 0.00 N ATOM 1052 CA GLN A 65 -5.052 12.084 2.211 1.00 0.00 C ATOM 1053 C GLN A 65 -4.591 12.022 0.757 1.00 0.00 C ATOM 1054 O GLN A 65 -4.216 13.034 0.166 1.00 0.00 O ATOM 1055 CB GLN A 65 -3.850 11.849 3.127 1.00 0.00 C ATOM 1056 CG GLN A 65 -4.084 12.547 4.469 1.00 0.00 C ATOM 1057 CD GLN A 65 -2.763 13.098 4.997 1.00 0.00 C ATOM 1058 OE1 GLN A 65 -1.694 12.586 4.666 1.00 0.00 O ATOM 1059 NE2 GLN A 65 -2.773 14.123 5.804 1.00 0.00 N ATOM 0 H GLN A 65 -5.780 10.291 3.031 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.478 13.068 2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.702 10.780 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.943 12.232 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.805 13.356 4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.509 11.845 5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.659 14.547 6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.895 14.500 6.161 1.00 0.00 H new ATOM 1068 N LEU A 66 -4.622 10.820 0.189 1.00 0.00 N ATOM 1069 CA LEU A 66 -4.207 10.629 -1.196 1.00 0.00 C ATOM 1070 C LEU A 66 -5.420 10.253 -2.047 1.00 0.00 C ATOM 1071 O LEU A 66 -6.342 9.601 -1.556 1.00 0.00 O ATOM 1072 CB LEU A 66 -3.162 9.515 -1.296 1.00 0.00 C ATOM 1073 CG LEU A 66 -1.763 9.876 -0.777 1.00 0.00 C ATOM 1074 CD1 LEU A 66 -1.861 10.411 0.653 1.00 0.00 C ATOM 1075 CD2 LEU A 66 -0.875 8.627 -0.792 1.00 0.00 C ATOM 0 H LEU A 66 -4.928 9.970 0.662 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.770 11.560 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.524 8.649 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.077 9.212 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.330 10.643 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.865 10.665 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.490 11.301 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.298 9.648 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.119 8.883 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.313 7.861 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.798 8.248 -1.811 1.00 0.00 H new ATOM 1087 N PRO A 67 -5.449 10.647 -3.328 1.00 0.00 N ATOM 1088 CA PRO A 67 -6.585 10.317 -4.201 1.00 0.00 C ATOM 1089 C PRO A 67 -6.538 8.857 -4.666 1.00 0.00 C ATOM 1090 O PRO A 67 -7.142 7.987 -4.038 1.00 0.00 O ATOM 1091 CB PRO A 67 -6.416 11.306 -5.353 1.00 0.00 C ATOM 1092 CG PRO A 67 -4.946 11.706 -5.381 1.00 0.00 C ATOM 1093 CD PRO A 67 -4.373 11.427 -3.987 1.00 0.00 C ATOM 0 HA PRO A 67 -7.554 10.402 -3.709 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.710 10.851 -6.299 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.051 12.180 -5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.407 11.138 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.839 12.760 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.442 10.863 -4.040 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.157 12.350 -3.448 1.00 0.00 H new ATOM 1101 N VAL A 68 -5.805 8.585 -5.751 1.00 0.00 N ATOM 1102 CA VAL A 68 -5.684 7.218 -6.258 1.00 0.00 C ATOM 1103 C VAL A 68 -4.825 7.211 -7.531 1.00 0.00 C ATOM 1104 O VAL A 68 -4.631 8.246 -8.169 1.00 0.00 O ATOM 1105 CB VAL A 68 -7.097 6.591 -6.492 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -7.488 6.520 -7.980 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -7.122 5.178 -5.901 1.00 0.00 C ATOM 0 H VAL A 68 -5.293 9.285 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.182 6.597 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.821 7.240 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.479 6.075 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.499 7.525 -8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.763 5.909 -8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.105 4.734 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.364 4.566 -6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.915 5.227 -4.832 1.00 0.00 H new ATOM 1117 N THR A 69 -4.318 6.036 -7.888 1.00 0.00 N ATOM 1118 CA THR A 69 -3.487 5.909 -9.081 1.00 0.00 C ATOM 1119 C THR A 69 -4.293 6.257 -10.329 1.00 0.00 C ATOM 1120 O THR A 69 -5.483 5.959 -10.420 1.00 0.00 O ATOM 1121 CB THR A 69 -2.952 4.482 -9.213 1.00 0.00 C ATOM 1122 OG1 THR A 69 -3.868 3.579 -8.611 1.00 0.00 O ATOM 1123 CG2 THR A 69 -1.594 4.378 -8.515 1.00 0.00 C ATOM 0 H THR A 69 -4.465 5.167 -7.375 1.00 0.00 H new ATOM 0 HA THR A 69 -2.650 6.600 -8.984 1.00 0.00 H new ATOM 0 HB THR A 69 -2.835 4.232 -10.267 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.306 3.045 -9.306 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.213 3.361 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.893 5.072 -8.978 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.707 4.626 -7.460 1.00 0.00 H new ATOM 1131 N ALA A 70 -3.627 6.892 -11.291 1.00 0.00 N ATOM 1132 CA ALA A 70 -4.286 7.281 -12.537 1.00 0.00 C ATOM 1133 C ALA A 70 -5.440 8.239 -12.256 1.00 0.00 C ATOM 1134 O ALA A 70 -6.545 7.820 -11.914 1.00 0.00 O ATOM 1135 CB ALA A 70 -4.827 6.049 -13.266 1.00 0.00 C ATOM 0 H ALA A 70 -2.641 7.146 -11.234 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.547 7.778 -13.165 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.314 6.358 -14.191 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.004 5.373 -13.498 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.549 5.537 -12.629 1.00 0.00 H new ATOM 1141 N ARG A 71 -5.168 9.532 -12.405 1.00 0.00 N ATOM 1142 CA ARG A 71 -6.190 10.548 -12.165 1.00 0.00 C ATOM 1143 C ARG A 71 -7.219 10.544 -13.291 1.00 0.00 C ATOM 1144 O ARG A 71 -8.325 11.000 -13.057 1.00 0.00 O ATOM 1145 CB ARG A 71 -5.554 11.936 -12.076 1.00 0.00 C ATOM 1146 CG ARG A 71 -4.707 12.193 -13.324 1.00 0.00 C ATOM 1147 CD ARG A 71 -4.601 13.699 -13.568 1.00 0.00 C ATOM 1148 NE ARG A 71 -3.421 14.008 -14.381 1.00 0.00 N ATOM 1149 CZ ARG A 71 -3.041 15.268 -14.634 1.00 0.00 C ATOM 1150 NH1 ARG A 71 -3.714 16.291 -14.160 1.00 0.00 N ATOM 1151 NH2 ARG A 71 -1.982 15.483 -15.365 1.00 0.00 N ATOM 1152 OXT ARG A 71 -6.885 10.085 -14.371 1.00 0.00 O ATOM 0 H ARG A 71 -4.259 9.899 -12.688 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.683 10.314 -11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.329 12.697 -11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.934 12.006 -11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.713 11.764 -13.197 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.157 11.705 -14.188 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.500 14.055 -14.071 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.540 14.224 -12.615 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.872 13.240 -14.766 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.543 16.135 -13.587 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.407 17.242 -14.365 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.452 14.696 -15.738 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.685 16.438 -15.563 1.00 0.00 H new TER 1166 ARG A 71