USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 918 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 MET CE :methyl 148:sc= -5.48! (180deg=-8.7!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ -149:sc= -0.63 (180deg=-1.05) USER MOD Set 2.1: A 30 GLN : amide:sc= -7.38! C(o=-7.4!,f=-12!) USER MOD Set 2.2: A 32 MET CE :methyl 173:sc=-0.00466 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= -0.0532 (180deg=-0.346) USER MOD Single : A 8 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=-0.19) USER MOD Single : A 9 LYS NZ :NH3+ -141:sc= -2.35 (180deg=-4.85!) USER MOD Single : A 13 THR OG1 : rot 44:sc= -1.38 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 175:sc= 0.472 USER MOD Single : A 24 LYS NZ :NH3+ -157:sc=-0.00102 (180deg=-0.793) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 71:sc= 0.413 USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= 0.406 (180deg=0.0762) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.85 USER MOD Single : A 41 THR OG1 : rot -75:sc= -1.39 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0694 X(o=-0.069,f=-0.0031) USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= -0.394 (180deg=-1.52!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot -178:sc= -2.34! USER MOD Single : A 59 SER OG : rot -55:sc= 0.0401 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.8) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0.207 (180deg=0.162) USER MOD Single : A 80 GLN : amide:sc= -0.509 K(o=-0.51,f=-1.6) USER MOD Single : A 82 THR OG1 : rot -175:sc= 2.69 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 150:sc= -2.98! USER MOD Single : A 93 TYR OH : rot 180:sc= -0.504 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -5.8! C(o=-5.8!,f=-6!) USER MOD Single : A 106 GLN : amide:sc= -6.79! C(o=-6.8!,f=-4.3!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.186 -8.714 -22.126 1.00 0.00 N ATOM 2 CA ALA A 1 -12.814 -8.184 -22.334 1.00 0.00 C ATOM 3 C ALA A 1 -12.715 -6.732 -21.880 1.00 0.00 C ATOM 4 O ALA A 1 -13.521 -5.890 -22.278 1.00 0.00 O ATOM 5 CB ALA A 1 -12.415 -8.310 -23.797 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.228 -9.704 -22.443 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.428 -8.663 -21.116 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.864 -8.147 -22.674 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.126 -8.776 -21.730 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.407 -7.918 -23.934 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.439 -9.359 -24.092 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.112 -7.744 -24.414 1.00 0.00 H new ATOM 13 N THR A 2 -11.721 -6.444 -21.046 1.00 0.00 N ATOM 14 CA THR A 2 -11.515 -5.091 -20.538 1.00 0.00 C ATOM 15 C THR A 2 -10.128 -4.576 -20.908 1.00 0.00 C ATOM 16 O THR A 2 -9.141 -5.308 -20.824 1.00 0.00 O ATOM 17 CB THR A 2 -11.695 -5.062 -19.019 1.00 0.00 C ATOM 18 OG1 THR A 2 -11.523 -3.748 -18.519 1.00 0.00 O ATOM 19 CG2 THR A 2 -10.725 -5.963 -18.284 1.00 0.00 C ATOM 0 H THR A 2 -11.045 -7.129 -20.707 1.00 0.00 H new ATOM 0 HA THR A 2 -12.258 -4.440 -20.998 1.00 0.00 H new ATOM 0 HB THR A 2 -12.708 -5.423 -18.841 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.644 -3.750 -17.546 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.907 -5.895 -17.211 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.866 -6.993 -18.611 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.703 -5.650 -18.499 1.00 0.00 H new ATOM 27 N SER A 3 -10.061 -3.314 -21.318 1.00 0.00 N ATOM 28 CA SER A 3 -8.795 -2.701 -21.701 1.00 0.00 C ATOM 29 C SER A 3 -8.243 -1.839 -20.570 1.00 0.00 C ATOM 30 O SER A 3 -8.850 -0.842 -20.183 1.00 0.00 O ATOM 31 CB SER A 3 -8.976 -1.857 -22.965 1.00 0.00 C ATOM 32 OG SER A 3 -7.992 -2.172 -23.935 1.00 0.00 O ATOM 0 H SER A 3 -10.869 -2.696 -21.394 1.00 0.00 H new ATOM 0 HA SER A 3 -8.080 -3.498 -21.905 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.969 -2.028 -23.381 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.915 -0.799 -22.711 1.00 0.00 H new ATOM 0 HG SER A 3 -8.131 -1.620 -24.733 1.00 0.00 H new ATOM 38 N THR A 4 -7.086 -2.231 -20.045 1.00 0.00 N ATOM 39 CA THR A 4 -6.452 -1.494 -18.958 1.00 0.00 C ATOM 40 C THR A 4 -5.347 -0.586 -19.489 1.00 0.00 C ATOM 41 O THR A 4 -4.753 -0.859 -20.532 1.00 0.00 O ATOM 42 CB THR A 4 -5.879 -2.463 -17.923 1.00 0.00 C ATOM 43 OG1 THR A 4 -6.658 -3.644 -17.856 1.00 0.00 O ATOM 44 CG2 THR A 4 -5.813 -1.878 -16.529 1.00 0.00 C ATOM 0 H THR A 4 -6.569 -3.054 -20.355 1.00 0.00 H new ATOM 0 HA THR A 4 -7.211 -0.873 -18.482 1.00 0.00 H new ATOM 0 HB THR A 4 -4.865 -2.678 -18.259 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.274 -4.252 -17.190 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.397 -2.617 -15.844 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.178 -0.992 -16.536 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.816 -1.603 -16.202 1.00 0.00 H new ATOM 52 N LYS A 5 -5.079 0.496 -18.766 1.00 0.00 N ATOM 53 CA LYS A 5 -4.046 1.446 -19.164 1.00 0.00 C ATOM 54 C LYS A 5 -2.768 1.232 -18.360 1.00 0.00 C ATOM 55 O LYS A 5 -2.816 0.866 -17.185 1.00 0.00 O ATOM 56 CB LYS A 5 -4.548 2.881 -18.979 1.00 0.00 C ATOM 57 CG LYS A 5 -4.694 3.650 -20.282 1.00 0.00 C ATOM 58 CD LYS A 5 -5.021 5.113 -20.031 1.00 0.00 C ATOM 59 CE LYS A 5 -4.707 5.971 -21.245 1.00 0.00 C ATOM 60 NZ LYS A 5 -5.376 7.299 -21.175 1.00 0.00 N ATOM 0 H LYS A 5 -5.563 0.737 -17.901 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.820 1.280 -20.217 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.512 2.857 -18.472 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.858 3.417 -18.327 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.770 3.576 -20.855 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.481 3.199 -20.886 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.076 5.212 -19.777 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.452 5.472 -19.174 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.629 6.111 -21.321 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.025 5.451 -22.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.136 7.854 -22.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.406 7.167 -21.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.053 7.806 -20.326 1.00 0.00 H new ATOM 74 N LYS A 6 -1.626 1.464 -19.000 1.00 0.00 N ATOM 75 CA LYS A 6 -0.335 1.299 -18.342 1.00 0.00 C ATOM 76 C LYS A 6 -0.035 2.490 -17.437 1.00 0.00 C ATOM 77 O LYS A 6 0.201 3.600 -17.913 1.00 0.00 O ATOM 78 CB LYS A 6 0.776 1.140 -19.381 1.00 0.00 C ATOM 79 CG LYS A 6 0.504 0.046 -20.401 1.00 0.00 C ATOM 80 CD LYS A 6 0.466 -1.327 -19.750 1.00 0.00 C ATOM 81 CE LYS A 6 1.862 -1.907 -19.589 1.00 0.00 C ATOM 82 NZ LYS A 6 2.478 -2.245 -20.902 1.00 0.00 N ATOM 0 H LYS A 6 -1.569 1.766 -19.972 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.378 0.398 -17.729 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.911 2.087 -19.904 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.713 0.922 -18.868 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.446 0.240 -20.899 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.277 0.064 -21.170 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.014 -1.255 -18.774 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.141 -2.001 -20.355 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.495 -1.190 -19.065 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.814 -2.802 -18.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.239 -2.940 -20.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.755 -2.647 -21.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.872 -1.384 -21.333 1.00 0.00 H new ATOM 96 N LEU A 7 -0.052 2.251 -16.130 1.00 0.00 N ATOM 97 CA LEU A 7 0.214 3.303 -15.156 1.00 0.00 C ATOM 98 C LEU A 7 1.705 3.611 -15.073 1.00 0.00 C ATOM 99 O LEU A 7 2.543 2.776 -15.413 1.00 0.00 O ATOM 100 CB LEU A 7 -0.306 2.891 -13.779 1.00 0.00 C ATOM 101 CG LEU A 7 -1.803 3.111 -13.559 1.00 0.00 C ATOM 102 CD1 LEU A 7 -2.123 4.598 -13.523 1.00 0.00 C ATOM 103 CD2 LEU A 7 -2.608 2.415 -14.646 1.00 0.00 C ATOM 0 H LEU A 7 -0.247 1.337 -15.721 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.305 4.203 -15.484 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.083 1.835 -13.624 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.243 3.447 -13.019 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.079 2.678 -12.597 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.193 4.736 -13.366 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.573 5.069 -12.709 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.833 5.056 -14.469 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.671 2.582 -14.474 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.330 2.819 -15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.400 1.345 -14.624 1.00 0.00 H new ATOM 115 N HIS A 8 2.028 4.815 -14.611 1.00 0.00 N ATOM 116 CA HIS A 8 3.418 5.234 -14.475 1.00 0.00 C ATOM 117 C HIS A 8 3.772 5.465 -13.007 1.00 0.00 C ATOM 118 O HIS A 8 4.677 6.236 -12.690 1.00 0.00 O ATOM 119 CB HIS A 8 3.672 6.508 -15.284 1.00 0.00 C ATOM 120 CG HIS A 8 4.875 6.420 -16.170 1.00 0.00 C ATOM 121 ND1 HIS A 8 6.057 5.828 -15.777 1.00 0.00 N ATOM 122 CD2 HIS A 8 5.076 6.850 -17.439 1.00 0.00 C ATOM 123 CE1 HIS A 8 6.933 5.898 -16.764 1.00 0.00 C ATOM 124 NE2 HIS A 8 6.362 6.513 -17.783 1.00 0.00 N ATOM 0 H HIS A 8 1.346 5.517 -14.325 1.00 0.00 H new ATOM 0 HA HIS A 8 4.053 4.438 -14.863 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.795 6.722 -15.895 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.796 7.346 -14.598 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.359 7.362 -18.063 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.943 5.517 -16.741 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.805 6.707 -18.681 1.00 0.00 H new ATOM 133 N LYS A 9 3.052 4.785 -12.118 1.00 0.00 N ATOM 134 CA LYS A 9 3.287 4.908 -10.682 1.00 0.00 C ATOM 135 C LYS A 9 2.998 6.325 -10.197 1.00 0.00 C ATOM 136 O LYS A 9 3.731 7.262 -10.513 1.00 0.00 O ATOM 137 CB LYS A 9 4.729 4.523 -10.344 1.00 0.00 C ATOM 138 CG LYS A 9 4.882 3.075 -9.908 1.00 0.00 C ATOM 139 CD LYS A 9 4.938 2.137 -11.103 1.00 0.00 C ATOM 140 CE LYS A 9 3.550 1.678 -11.522 1.00 0.00 C ATOM 141 NZ LYS A 9 3.245 2.050 -12.931 1.00 0.00 N ATOM 0 H LYS A 9 2.300 4.142 -12.367 1.00 0.00 H new ATOM 0 HA LYS A 9 2.607 4.226 -10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.358 4.700 -11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.094 5.174 -9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.791 2.966 -9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.047 2.797 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.423 2.641 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.549 1.269 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.475 0.597 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.806 2.121 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.252 2.349 -13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.865 2.832 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.405 1.229 -13.549 1.00 0.00 H new ATOM 155 N GLU A 10 1.928 6.470 -9.422 1.00 0.00 N ATOM 156 CA GLU A 10 1.543 7.770 -8.885 1.00 0.00 C ATOM 157 C GLU A 10 1.895 7.862 -7.401 1.00 0.00 C ATOM 158 O GLU A 10 1.531 6.987 -6.617 1.00 0.00 O ATOM 159 CB GLU A 10 0.045 8.004 -9.080 1.00 0.00 C ATOM 160 CG GLU A 10 -0.386 8.006 -10.538 1.00 0.00 C ATOM 161 CD GLU A 10 -0.250 9.370 -11.184 1.00 0.00 C ATOM 162 OE1 GLU A 10 -0.379 10.383 -10.465 1.00 0.00 O ATOM 163 OE2 GLU A 10 -0.015 9.426 -12.410 1.00 0.00 O ATOM 0 H GLU A 10 1.312 5.703 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 10 2.094 8.540 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.507 7.230 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.227 8.958 -8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.215 7.284 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.423 7.677 -10.607 1.00 0.00 H new ATOM 170 N PRO A 11 2.615 8.922 -6.991 1.00 0.00 N ATOM 171 CA PRO A 11 3.014 9.114 -5.605 1.00 0.00 C ATOM 172 C PRO A 11 1.986 9.904 -4.807 1.00 0.00 C ATOM 173 O PRO A 11 1.110 10.556 -5.377 1.00 0.00 O ATOM 174 CB PRO A 11 4.306 9.908 -5.742 1.00 0.00 C ATOM 175 CG PRO A 11 4.124 10.729 -6.982 1.00 0.00 C ATOM 176 CD PRO A 11 3.104 10.016 -7.847 1.00 0.00 C ATOM 0 HA PRO A 11 3.119 8.172 -5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.475 10.541 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.169 9.247 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.781 11.733 -6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.070 10.838 -7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.295 10.684 -8.143 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.554 9.635 -8.764 1.00 0.00 H new ATOM 184 N ALA A 12 2.095 9.841 -3.485 1.00 0.00 N ATOM 185 CA ALA A 12 1.172 10.551 -2.613 1.00 0.00 C ATOM 186 C ALA A 12 1.690 10.601 -1.180 1.00 0.00 C ATOM 187 O ALA A 12 2.553 9.814 -0.794 1.00 0.00 O ATOM 188 CB ALA A 12 -0.193 9.889 -2.654 1.00 0.00 C ATOM 0 H ALA A 12 2.813 9.306 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 12 1.086 11.576 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.878 10.427 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.576 9.909 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.106 8.855 -2.319 1.00 0.00 H new ATOM 194 N THR A 13 1.148 11.525 -0.392 1.00 0.00 N ATOM 195 CA THR A 13 1.549 11.664 1.002 1.00 0.00 C ATOM 196 C THR A 13 0.621 10.857 1.903 1.00 0.00 C ATOM 197 O THR A 13 -0.541 11.216 2.095 1.00 0.00 O ATOM 198 CB THR A 13 1.537 13.138 1.417 1.00 0.00 C ATOM 199 OG1 THR A 13 0.212 13.637 1.454 1.00 0.00 O ATOM 200 CG2 THR A 13 2.337 14.026 0.489 1.00 0.00 C ATOM 0 H THR A 13 0.433 12.186 -0.695 1.00 0.00 H new ATOM 0 HA THR A 13 2.563 11.280 1.110 1.00 0.00 H new ATOM 0 HB THR A 13 1.996 13.165 2.405 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.373 12.979 1.885 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.287 15.057 0.839 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.376 13.697 0.476 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.925 13.965 -0.518 1.00 0.00 H new ATOM 208 N LEU A 14 1.141 9.761 2.442 1.00 0.00 N ATOM 209 CA LEU A 14 0.369 8.887 3.315 1.00 0.00 C ATOM 210 C LEU A 14 0.482 9.324 4.769 1.00 0.00 C ATOM 211 O LEU A 14 1.573 9.362 5.336 1.00 0.00 O ATOM 212 CB LEU A 14 0.844 7.441 3.148 1.00 0.00 C ATOM 213 CG LEU A 14 0.143 6.397 4.028 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.809 6.309 5.392 1.00 0.00 C ATOM 215 CD2 LEU A 14 -1.339 6.714 4.176 1.00 0.00 C ATOM 0 H LEU A 14 2.102 9.455 2.288 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.681 8.953 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.713 7.155 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.913 7.404 3.357 1.00 0.00 H new ATOM 0 HG LEU A 14 0.235 5.428 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.296 5.563 6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.853 6.022 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.755 7.279 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.812 5.959 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.457 7.695 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.811 6.716 3.193 1.00 0.00 H new ATOM 227 N ILE A 15 -0.658 9.659 5.363 1.00 0.00 N ATOM 228 CA ILE A 15 -0.693 10.099 6.748 1.00 0.00 C ATOM 229 C ILE A 15 -0.505 8.931 7.709 1.00 0.00 C ATOM 230 O ILE A 15 0.226 9.050 8.692 1.00 0.00 O ATOM 231 CB ILE A 15 -2.012 10.825 7.086 1.00 0.00 C ATOM 232 CG1 ILE A 15 -3.216 9.919 6.816 1.00 0.00 C ATOM 233 CG2 ILE A 15 -2.125 12.113 6.285 1.00 0.00 C ATOM 234 CD1 ILE A 15 -3.564 9.006 7.972 1.00 0.00 C ATOM 0 H ILE A 15 -1.569 9.633 4.905 1.00 0.00 H new ATOM 0 HA ILE A 15 0.134 10.799 6.869 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.005 11.073 8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.081 10.540 6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.012 9.312 5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.060 12.615 6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.287 12.767 6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.109 11.882 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.427 8.395 7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.715 8.359 8.193 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.801 9.606 8.851 1.00 0.00 H new ATOM 246 N LYS A 16 -1.157 7.800 7.430 1.00 0.00 N ATOM 247 CA LYS A 16 -1.030 6.630 8.303 1.00 0.00 C ATOM 248 C LYS A 16 -1.857 5.450 7.805 1.00 0.00 C ATOM 249 O LYS A 16 -2.636 5.570 6.860 1.00 0.00 O ATOM 250 CB LYS A 16 -1.437 6.984 9.744 1.00 0.00 C ATOM 251 CG LYS A 16 -2.924 6.822 10.034 1.00 0.00 C ATOM 252 CD LYS A 16 -3.461 7.972 10.872 1.00 0.00 C ATOM 253 CE LYS A 16 -3.738 7.540 12.303 1.00 0.00 C ATOM 254 NZ LYS A 16 -5.066 6.879 12.437 1.00 0.00 N ATOM 0 H LYS A 16 -1.767 7.669 6.623 1.00 0.00 H new ATOM 0 HA LYS A 16 0.018 6.331 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.874 6.355 10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.150 8.016 9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.474 6.768 9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.093 5.881 10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.741 8.791 10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.378 8.353 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.957 6.855 12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.698 8.410 12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.216 6.600 13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.814 7.541 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.096 6.034 11.831 1.00 0.00 H new ATOM 268 N ALA A 17 -1.681 4.309 8.467 1.00 0.00 N ATOM 269 CA ALA A 17 -2.410 3.094 8.122 1.00 0.00 C ATOM 270 C ALA A 17 -3.519 2.826 9.135 1.00 0.00 C ATOM 271 O ALA A 17 -3.260 2.375 10.251 1.00 0.00 O ATOM 272 CB ALA A 17 -1.457 1.909 8.049 1.00 0.00 C ATOM 0 H ALA A 17 -1.036 4.202 9.250 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.868 3.233 7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.015 1.009 7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.700 2.098 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.973 1.771 9.016 1.00 0.00 H new ATOM 278 N ILE A 18 -4.754 3.116 8.741 1.00 0.00 N ATOM 279 CA ILE A 18 -5.909 2.920 9.609 1.00 0.00 C ATOM 280 C ILE A 18 -5.973 1.495 10.162 1.00 0.00 C ATOM 281 O ILE A 18 -5.668 1.262 11.330 1.00 0.00 O ATOM 282 CB ILE A 18 -7.226 3.238 8.868 1.00 0.00 C ATOM 283 CG1 ILE A 18 -7.193 4.664 8.312 1.00 0.00 C ATOM 284 CG2 ILE A 18 -8.421 3.056 9.794 1.00 0.00 C ATOM 285 CD1 ILE A 18 -7.127 5.730 9.385 1.00 0.00 C ATOM 0 H ILE A 18 -4.982 3.490 7.820 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.789 3.611 10.443 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.329 2.542 8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.331 4.769 7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.081 4.828 7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.339 3.285 9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.455 2.025 10.146 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.326 3.728 10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.106 6.715 8.919 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.002 5.652 10.030 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.224 5.592 9.980 1.00 0.00 H new ATOM 297 N ASP A 19 -6.382 0.549 9.321 1.00 0.00 N ATOM 298 CA ASP A 19 -6.496 -0.845 9.741 1.00 0.00 C ATOM 299 C ASP A 19 -5.444 -1.721 9.067 1.00 0.00 C ATOM 300 O ASP A 19 -5.737 -2.838 8.639 1.00 0.00 O ATOM 301 CB ASP A 19 -7.896 -1.378 9.427 1.00 0.00 C ATOM 302 CG ASP A 19 -8.126 -2.765 9.995 1.00 0.00 C ATOM 303 OD1 ASP A 19 -7.940 -2.945 11.217 1.00 0.00 O ATOM 304 OD2 ASP A 19 -8.493 -3.671 9.218 1.00 0.00 O ATOM 0 H ASP A 19 -6.639 0.721 8.349 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.327 -0.882 10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.642 -0.694 9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.039 -1.402 8.347 1.00 0.00 H new ATOM 309 N GLY A 20 -4.219 -1.215 8.981 1.00 0.00 N ATOM 310 CA GLY A 20 -3.147 -1.975 8.364 1.00 0.00 C ATOM 311 C GLY A 20 -3.116 -1.834 6.854 1.00 0.00 C ATOM 312 O GLY A 20 -2.078 -1.509 6.278 1.00 0.00 O ATOM 0 H GLY A 20 -3.949 -0.294 9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.192 -1.646 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.259 -3.028 8.623 1.00 0.00 H new ATOM 316 N ASP A 21 -4.255 -2.076 6.210 1.00 0.00 N ATOM 317 CA ASP A 21 -4.347 -1.971 4.760 1.00 0.00 C ATOM 318 C ASP A 21 -4.895 -0.609 4.360 1.00 0.00 C ATOM 319 O ASP A 21 -4.482 -0.034 3.353 1.00 0.00 O ATOM 320 CB ASP A 21 -5.242 -3.079 4.200 1.00 0.00 C ATOM 321 CG ASP A 21 -4.555 -4.430 4.192 1.00 0.00 C ATOM 322 OD1 ASP A 21 -4.662 -5.156 5.202 1.00 0.00 O ATOM 323 OD2 ASP A 21 -3.910 -4.762 3.174 1.00 0.00 O ATOM 0 H ASP A 21 -5.125 -2.346 6.670 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.346 -2.083 4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.153 -3.142 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.542 -2.821 3.184 1.00 0.00 H new ATOM 328 N THR A 22 -5.821 -0.092 5.162 1.00 0.00 N ATOM 329 CA THR A 22 -6.416 1.209 4.896 1.00 0.00 C ATOM 330 C THR A 22 -5.402 2.319 5.163 1.00 0.00 C ATOM 331 O THR A 22 -5.085 2.613 6.313 1.00 0.00 O ATOM 332 CB THR A 22 -7.661 1.416 5.763 1.00 0.00 C ATOM 333 OG1 THR A 22 -7.620 0.585 6.911 1.00 0.00 O ATOM 334 CG2 THR A 22 -8.955 1.128 5.030 1.00 0.00 C ATOM 0 H THR A 22 -6.174 -0.555 6.000 1.00 0.00 H new ATOM 0 HA THR A 22 -6.711 1.245 3.847 1.00 0.00 H new ATOM 0 HB THR A 22 -7.647 2.470 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.382 0.791 7.491 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.798 1.294 5.701 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.041 1.791 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.959 0.092 4.692 1.00 0.00 H new ATOM 342 N VAL A 23 -4.889 2.927 4.099 1.00 0.00 N ATOM 343 CA VAL A 23 -3.904 3.999 4.233 1.00 0.00 C ATOM 344 C VAL A 23 -4.380 5.275 3.549 1.00 0.00 C ATOM 345 O VAL A 23 -4.791 5.250 2.392 1.00 0.00 O ATOM 346 CB VAL A 23 -2.542 3.587 3.641 1.00 0.00 C ATOM 347 CG1 VAL A 23 -1.799 2.667 4.598 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.723 2.921 2.285 1.00 0.00 C ATOM 0 H VAL A 23 -5.137 2.698 3.136 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.786 4.187 5.300 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.944 4.488 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.840 2.387 4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.631 3.184 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.393 1.770 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.749 2.638 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.342 2.031 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.208 3.616 1.600 1.00 0.00 H new ATOM 358 N LYS A 24 -4.328 6.389 4.274 1.00 0.00 N ATOM 359 CA LYS A 24 -4.766 7.673 3.734 1.00 0.00 C ATOM 360 C LYS A 24 -3.611 8.437 3.086 1.00 0.00 C ATOM 361 O LYS A 24 -2.842 9.115 3.767 1.00 0.00 O ATOM 362 CB LYS A 24 -5.397 8.523 4.844 1.00 0.00 C ATOM 363 CG LYS A 24 -5.411 10.017 4.547 1.00 0.00 C ATOM 364 CD LYS A 24 -6.355 10.764 5.475 1.00 0.00 C ATOM 365 CE LYS A 24 -6.351 12.257 5.189 1.00 0.00 C ATOM 366 NZ LYS A 24 -7.499 12.660 4.330 1.00 0.00 N ATOM 0 H LYS A 24 -3.988 6.429 5.235 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.509 7.472 2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.420 8.186 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.852 8.352 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.403 10.419 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.713 10.180 3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.366 10.373 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.062 10.590 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.390 12.807 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.417 12.530 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.272 13.550 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.683 11.917 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.344 12.794 4.921 1.00 0.00 H new ATOM 380 N LEU A 25 -3.509 8.338 1.766 1.00 0.00 N ATOM 381 CA LEU A 25 -2.460 9.037 1.028 1.00 0.00 C ATOM 382 C LEU A 25 -3.028 10.168 0.178 1.00 0.00 C ATOM 383 O LEU A 25 -4.057 10.012 -0.478 1.00 0.00 O ATOM 384 CB LEU A 25 -1.645 8.062 0.157 1.00 0.00 C ATOM 385 CG LEU A 25 -2.394 7.306 -0.936 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.860 8.239 -2.047 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.501 6.212 -1.508 1.00 0.00 C ATOM 0 H LEU A 25 -4.137 7.783 1.185 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.789 9.478 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.838 8.624 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.180 7.329 0.816 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.281 6.857 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.389 7.664 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.528 8.994 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.996 8.728 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.039 5.674 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.602 6.660 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.222 5.518 -0.715 1.00 0.00 H new ATOM 399 N MET A 26 -2.333 11.308 0.185 1.00 0.00 N ATOM 400 CA MET A 26 -2.751 12.468 -0.604 1.00 0.00 C ATOM 401 C MET A 26 -2.485 12.190 -2.076 1.00 0.00 C ATOM 402 O MET A 26 -1.352 12.291 -2.543 1.00 0.00 O ATOM 403 CB MET A 26 -1.989 13.720 -0.168 1.00 0.00 C ATOM 404 CG MET A 26 -2.561 15.009 -0.735 1.00 0.00 C ATOM 405 SD MET A 26 -1.754 16.479 -0.072 1.00 0.00 S ATOM 406 CE MET A 26 -2.892 16.930 1.236 1.00 0.00 C ATOM 0 H MET A 26 -1.481 11.452 0.727 1.00 0.00 H new ATOM 0 HA MET A 26 -3.815 12.642 -0.445 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.994 13.778 0.920 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.948 13.627 -0.477 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.458 15.001 -1.820 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.628 15.055 -0.516 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.529 17.825 1.742 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.876 17.128 0.810 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.965 16.112 1.953 1.00 0.00 H new ATOM 416 N TYR A 27 -3.531 11.810 -2.793 1.00 0.00 N ATOM 417 CA TYR A 27 -3.409 11.472 -4.203 1.00 0.00 C ATOM 418 C TYR A 27 -3.578 12.694 -5.106 1.00 0.00 C ATOM 419 O TYR A 27 -4.677 13.227 -5.253 1.00 0.00 O ATOM 420 CB TYR A 27 -4.442 10.398 -4.547 1.00 0.00 C ATOM 421 CG TYR A 27 -4.500 10.044 -6.015 1.00 0.00 C ATOM 422 CD1 TYR A 27 -3.562 9.189 -6.580 1.00 0.00 C ATOM 423 CD2 TYR A 27 -5.492 10.564 -6.833 1.00 0.00 C ATOM 424 CE1 TYR A 27 -3.613 8.862 -7.921 1.00 0.00 C ATOM 425 CE2 TYR A 27 -5.551 10.243 -8.174 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.609 9.392 -8.715 1.00 0.00 C ATOM 427 OH TYR A 27 -4.663 9.070 -10.052 1.00 0.00 O ATOM 0 H TYR A 27 -4.477 11.728 -2.420 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.403 11.091 -4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.217 9.497 -3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.426 10.741 -4.228 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.781 8.773 -5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.231 11.231 -6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.877 8.195 -8.346 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.331 10.656 -8.797 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.944 8.136 -10.153 1.00 0.00 H new ATOM 437 N LYS A 28 -2.471 13.116 -5.718 1.00 0.00 N ATOM 438 CA LYS A 28 -2.465 14.264 -6.625 1.00 0.00 C ATOM 439 C LYS A 28 -3.163 15.475 -6.012 1.00 0.00 C ATOM 440 O LYS A 28 -3.707 16.315 -6.726 1.00 0.00 O ATOM 441 CB LYS A 28 -3.136 13.894 -7.950 1.00 0.00 C ATOM 442 CG LYS A 28 -2.455 14.501 -9.167 1.00 0.00 C ATOM 443 CD LYS A 28 -1.442 13.543 -9.776 1.00 0.00 C ATOM 444 CE LYS A 28 -0.015 13.995 -9.507 1.00 0.00 C ATOM 445 NZ LYS A 28 0.859 12.860 -9.098 1.00 0.00 N ATOM 0 H LYS A 28 -1.559 12.675 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.424 14.533 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.145 12.809 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.176 14.221 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.206 14.761 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.956 15.427 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.592 12.544 -9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.606 13.474 -10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.393 14.463 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.016 14.753 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.832 13.038 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.847 12.769 -8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.509 11.980 -9.527 1.00 0.00 H new ATOM 459 N GLY A 29 -3.138 15.559 -4.689 1.00 0.00 N ATOM 460 CA GLY A 29 -3.776 16.669 -4.007 1.00 0.00 C ATOM 461 C GLY A 29 -5.101 16.278 -3.381 1.00 0.00 C ATOM 462 O GLY A 29 -5.632 17.002 -2.539 1.00 0.00 O ATOM 0 H GLY A 29 -2.688 14.880 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.109 17.048 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.937 17.482 -4.715 1.00 0.00 H new ATOM 466 N GLN A 30 -5.626 15.120 -3.773 1.00 0.00 N ATOM 467 CA GLN A 30 -6.883 14.629 -3.221 1.00 0.00 C ATOM 468 C GLN A 30 -6.644 13.322 -2.473 1.00 0.00 C ATOM 469 O GLN A 30 -6.574 12.255 -3.083 1.00 0.00 O ATOM 470 CB GLN A 30 -7.926 14.397 -4.326 1.00 0.00 C ATOM 471 CG GLN A 30 -7.731 15.249 -5.573 1.00 0.00 C ATOM 472 CD GLN A 30 -6.690 14.685 -6.521 1.00 0.00 C ATOM 473 OE1 GLN A 30 -5.846 15.415 -7.034 1.00 0.00 O ATOM 474 NE2 GLN A 30 -6.754 13.383 -6.773 1.00 0.00 N ATOM 0 H GLN A 30 -5.201 14.507 -4.469 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.267 15.386 -2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.903 13.346 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.917 14.595 -3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.682 15.337 -6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.436 16.255 -5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.471 12.812 -6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.086 12.954 -7.414 1.00 0.00 H new ATOM 483 N PRO A 31 -6.502 13.382 -1.139 1.00 0.00 N ATOM 484 CA PRO A 31 -6.256 12.193 -0.326 1.00 0.00 C ATOM 485 C PRO A 31 -7.374 11.166 -0.416 1.00 0.00 C ATOM 486 O PRO A 31 -8.555 11.505 -0.493 1.00 0.00 O ATOM 487 CB PRO A 31 -6.140 12.734 1.103 1.00 0.00 C ATOM 488 CG PRO A 31 -5.859 14.189 0.947 1.00 0.00 C ATOM 489 CD PRO A 31 -6.542 14.605 -0.323 1.00 0.00 C ATOM 0 HA PRO A 31 -5.366 11.664 -0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.060 12.568 1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.340 12.235 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.239 14.754 1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.787 14.376 0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.565 14.935 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.022 15.431 -0.809 1.00 0.00 H new ATOM 497 N MET A 32 -6.970 9.906 -0.401 1.00 0.00 N ATOM 498 CA MET A 32 -7.890 8.784 -0.475 1.00 0.00 C ATOM 499 C MET A 32 -7.354 7.639 0.372 1.00 0.00 C ATOM 500 O MET A 32 -6.158 7.577 0.650 1.00 0.00 O ATOM 501 CB MET A 32 -8.026 8.316 -1.927 1.00 0.00 C ATOM 502 CG MET A 32 -8.388 9.428 -2.896 1.00 0.00 C ATOM 503 SD MET A 32 -8.567 8.842 -4.592 1.00 0.00 S ATOM 504 CE MET A 32 -8.929 10.376 -5.441 1.00 0.00 C ATOM 0 H MET A 32 -5.990 9.632 -0.337 1.00 0.00 H new ATOM 0 HA MET A 32 -8.867 9.095 -0.104 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.086 7.863 -2.243 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.788 7.539 -1.979 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.320 9.894 -2.576 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.618 10.199 -2.862 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.944 10.202 -6.517 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.902 10.749 -5.120 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.162 11.113 -5.203 1.00 0.00 H new ATOM 514 N THR A 33 -8.220 6.719 0.754 1.00 0.00 N ATOM 515 CA THR A 33 -7.782 5.565 1.523 1.00 0.00 C ATOM 516 C THR A 33 -7.579 4.405 0.550 1.00 0.00 C ATOM 517 O THR A 33 -8.134 4.414 -0.548 1.00 0.00 O ATOM 518 CB THR A 33 -8.779 5.215 2.633 1.00 0.00 C ATOM 519 OG1 THR A 33 -9.880 6.106 2.621 1.00 0.00 O ATOM 520 CG2 THR A 33 -8.168 5.264 4.016 1.00 0.00 C ATOM 0 H THR A 33 -9.219 6.745 0.549 1.00 0.00 H new ATOM 0 HA THR A 33 -6.843 5.788 2.029 1.00 0.00 H new ATOM 0 HB THR A 33 -9.097 4.193 2.425 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.505 5.864 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.924 5.007 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.345 4.552 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.794 6.269 4.213 1.00 0.00 H new ATOM 528 N PHE A 34 -6.758 3.434 0.921 1.00 0.00 N ATOM 529 CA PHE A 34 -6.469 2.312 0.031 1.00 0.00 C ATOM 530 C PHE A 34 -6.453 0.995 0.784 1.00 0.00 C ATOM 531 O PHE A 34 -6.267 0.967 1.995 1.00 0.00 O ATOM 532 CB PHE A 34 -5.120 2.531 -0.663 1.00 0.00 C ATOM 533 CG PHE A 34 -5.034 3.825 -1.418 1.00 0.00 C ATOM 534 CD1 PHE A 34 -5.105 5.034 -0.753 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.879 3.832 -2.795 1.00 0.00 C ATOM 536 CE1 PHE A 34 -5.024 6.223 -1.440 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.797 5.025 -3.487 1.00 0.00 C ATOM 538 CZ PHE A 34 -4.869 6.222 -2.801 1.00 0.00 C ATOM 0 H PHE A 34 -6.283 3.397 1.823 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.262 2.263 -0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.328 2.504 0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.937 1.706 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.226 5.046 0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.822 2.897 -3.332 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.083 7.159 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.677 5.022 -4.560 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.803 7.157 -3.338 1.00 0.00 H new ATOM 548 N ARG A 35 -6.653 -0.098 0.060 1.00 0.00 N ATOM 549 CA ARG A 35 -6.665 -1.413 0.679 1.00 0.00 C ATOM 550 C ARG A 35 -5.937 -2.446 -0.181 1.00 0.00 C ATOM 551 O ARG A 35 -6.502 -2.985 -1.130 1.00 0.00 O ATOM 552 CB ARG A 35 -8.111 -1.846 0.935 1.00 0.00 C ATOM 553 CG ARG A 35 -8.265 -3.318 1.293 1.00 0.00 C ATOM 554 CD ARG A 35 -9.457 -3.548 2.209 1.00 0.00 C ATOM 555 NE ARG A 35 -9.046 -3.796 3.588 1.00 0.00 N ATOM 556 CZ ARG A 35 -8.596 -4.969 4.028 1.00 0.00 C ATOM 557 NH1 ARG A 35 -8.501 -6.004 3.202 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.241 -5.109 5.298 1.00 0.00 N ATOM 0 H ARG A 35 -6.808 -0.099 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.133 -1.351 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.522 -1.242 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.705 -1.635 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.387 -3.904 0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.357 -3.672 1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.112 -2.678 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.036 -4.397 1.845 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.107 -3.025 4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.774 -5.903 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.155 -6.900 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.313 -4.318 5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.896 -6.008 5.635 1.00 0.00 H new ATOM 572 N LEU A 36 -4.682 -2.722 0.174 1.00 0.00 N ATOM 573 CA LEU A 36 -3.862 -3.699 -0.545 1.00 0.00 C ATOM 574 C LEU A 36 -2.408 -3.632 -0.071 1.00 0.00 C ATOM 575 O LEU A 36 -1.988 -4.421 0.774 1.00 0.00 O ATOM 576 CB LEU A 36 -3.944 -3.478 -2.064 1.00 0.00 C ATOM 577 CG LEU A 36 -4.427 -4.689 -2.869 1.00 0.00 C ATOM 578 CD1 LEU A 36 -5.895 -4.540 -3.240 1.00 0.00 C ATOM 579 CD2 LEU A 36 -3.579 -4.873 -4.120 1.00 0.00 C ATOM 0 H LEU A 36 -4.208 -2.279 0.961 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.253 -4.693 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.614 -2.641 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.958 -3.189 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.320 -5.576 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.216 -5.411 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.493 -4.460 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.029 -3.642 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.937 -5.738 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.653 -3.982 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.539 -5.031 -3.835 1.00 0.00 H new ATOM 591 N LEU A 37 -1.654 -2.677 -0.614 1.00 0.00 N ATOM 592 CA LEU A 37 -0.249 -2.481 -0.252 1.00 0.00 C ATOM 593 C LEU A 37 0.508 -3.799 -0.096 1.00 0.00 C ATOM 594 O LEU A 37 0.432 -4.458 0.941 1.00 0.00 O ATOM 595 CB LEU A 37 -0.144 -1.667 1.040 1.00 0.00 C ATOM 596 CG LEU A 37 1.037 -0.696 1.099 1.00 0.00 C ATOM 597 CD1 LEU A 37 1.076 0.017 2.442 1.00 0.00 C ATOM 598 CD2 LEU A 37 2.343 -1.434 0.848 1.00 0.00 C ATOM 0 H LEU A 37 -1.997 -2.020 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 37 0.216 -1.935 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.067 -1.102 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.070 -2.356 1.881 1.00 0.00 H new ATOM 0 HG LEU A 37 0.908 0.053 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.923 0.703 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.151 0.576 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.182 -0.717 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.174 -0.730 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.478 -2.203 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.315 -1.899 -0.138 1.00 0.00 H new ATOM 610 N LEU A 38 1.261 -4.156 -1.130 1.00 0.00 N ATOM 611 CA LEU A 38 2.062 -5.373 -1.122 1.00 0.00 C ATOM 612 C LEU A 38 1.209 -6.621 -0.923 1.00 0.00 C ATOM 613 O LEU A 38 0.548 -6.784 0.104 1.00 0.00 O ATOM 614 CB LEU A 38 3.127 -5.299 -0.027 1.00 0.00 C ATOM 615 CG LEU A 38 4.454 -5.976 -0.373 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.226 -7.429 -0.761 1.00 0.00 C ATOM 617 CD2 LEU A 38 5.154 -5.226 -1.495 1.00 0.00 C ATOM 0 H LEU A 38 1.333 -3.614 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 38 2.541 -5.449 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.319 -4.251 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.728 -5.755 0.879 1.00 0.00 H new ATOM 0 HG LEU A 38 5.095 -5.954 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.181 -7.895 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.765 -7.960 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.569 -7.475 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.097 -5.720 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.518 -5.219 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.350 -4.201 -1.181 1.00 0.00 H new ATOM 629 N VAL A 39 1.248 -7.505 -1.911 1.00 0.00 N ATOM 630 CA VAL A 39 0.502 -8.756 -1.863 1.00 0.00 C ATOM 631 C VAL A 39 1.358 -9.867 -1.255 1.00 0.00 C ATOM 632 O VAL A 39 2.349 -10.291 -1.849 1.00 0.00 O ATOM 633 CB VAL A 39 0.041 -9.186 -3.270 1.00 0.00 C ATOM 634 CG1 VAL A 39 -0.827 -10.432 -3.200 1.00 0.00 C ATOM 635 CG2 VAL A 39 -0.700 -8.049 -3.957 1.00 0.00 C ATOM 0 H VAL A 39 1.794 -7.377 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.377 -8.589 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 39 0.925 -9.427 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.139 -10.715 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.258 -11.247 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.707 -10.228 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.018 -8.369 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.574 -7.775 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.039 -7.187 -4.049 1.00 0.00 H new ATOM 645 N ASP A 40 0.977 -10.329 -0.066 1.00 0.00 N ATOM 646 CA ASP A 40 1.725 -11.384 0.616 1.00 0.00 C ATOM 647 C ASP A 40 0.790 -12.437 1.211 1.00 0.00 C ATOM 648 O ASP A 40 -0.392 -12.492 0.875 1.00 0.00 O ATOM 649 CB ASP A 40 2.604 -10.776 1.714 1.00 0.00 C ATOM 650 CG ASP A 40 1.792 -10.192 2.854 1.00 0.00 C ATOM 651 OD1 ASP A 40 1.308 -10.974 3.699 1.00 0.00 O ATOM 652 OD2 ASP A 40 1.640 -8.953 2.901 1.00 0.00 O ATOM 0 H ASP A 40 0.160 -9.992 0.443 1.00 0.00 H new ATOM 0 HA ASP A 40 2.358 -11.879 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.273 -11.543 2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.231 -9.996 1.282 1.00 0.00 H new ATOM 657 N THR A 41 1.332 -13.273 2.094 1.00 0.00 N ATOM 658 CA THR A 41 0.555 -14.329 2.738 1.00 0.00 C ATOM 659 C THR A 41 0.758 -14.297 4.255 1.00 0.00 C ATOM 660 O THR A 41 1.893 -14.316 4.730 1.00 0.00 O ATOM 661 CB THR A 41 0.979 -15.693 2.188 1.00 0.00 C ATOM 662 OG1 THR A 41 0.343 -16.741 2.898 1.00 0.00 O ATOM 663 CG2 THR A 41 2.472 -15.930 2.258 1.00 0.00 C ATOM 0 H THR A 41 2.310 -13.239 2.381 1.00 0.00 H new ATOM 0 HA THR A 41 -0.501 -14.164 2.524 1.00 0.00 H new ATOM 0 HB THR A 41 0.678 -15.687 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.769 -16.848 3.774 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.703 -16.915 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.989 -15.167 1.676 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.800 -15.879 3.296 1.00 0.00 H new ATOM 671 N PRO A 42 -0.333 -14.240 5.045 1.00 0.00 N ATOM 672 CA PRO A 42 -0.239 -14.200 6.508 1.00 0.00 C ATOM 673 C PRO A 42 0.250 -15.517 7.096 1.00 0.00 C ATOM 674 O PRO A 42 -0.448 -16.529 7.041 1.00 0.00 O ATOM 675 CB PRO A 42 -1.679 -13.924 6.970 1.00 0.00 C ATOM 676 CG PRO A 42 -2.427 -13.529 5.743 1.00 0.00 C ATOM 677 CD PRO A 42 -1.731 -14.203 4.594 1.00 0.00 C ATOM 0 HA PRO A 42 0.478 -13.448 6.836 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.119 -14.809 7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.705 -13.131 7.717 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.469 -13.842 5.805 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.426 -12.446 5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.125 -15.203 4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.843 -13.642 3.666 1.00 0.00 H new ATOM 685 N GLU A 43 1.449 -15.495 7.672 1.00 0.00 N ATOM 686 CA GLU A 43 2.037 -16.682 8.293 1.00 0.00 C ATOM 687 C GLU A 43 2.427 -17.750 7.267 1.00 0.00 C ATOM 688 O GLU A 43 3.501 -18.342 7.367 1.00 0.00 O ATOM 689 CB GLU A 43 1.072 -17.280 9.324 1.00 0.00 C ATOM 690 CG GLU A 43 1.422 -16.924 10.760 1.00 0.00 C ATOM 691 CD GLU A 43 0.437 -17.500 11.759 1.00 0.00 C ATOM 692 OE1 GLU A 43 -0.637 -16.893 11.950 1.00 0.00 O ATOM 693 OE2 GLU A 43 0.741 -18.557 12.351 1.00 0.00 O ATOM 0 H GLU A 43 2.037 -14.663 7.722 1.00 0.00 H new ATOM 0 HA GLU A 43 2.951 -16.357 8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.061 -16.933 9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.066 -18.365 9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.422 -17.291 10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.449 -15.839 10.866 1.00 0.00 H new ATOM 700 N THR A 44 1.558 -18.009 6.292 1.00 0.00 N ATOM 701 CA THR A 44 1.839 -19.021 5.280 1.00 0.00 C ATOM 702 C THR A 44 2.902 -18.540 4.301 1.00 0.00 C ATOM 703 O THR A 44 3.359 -17.399 4.373 1.00 0.00 O ATOM 704 CB THR A 44 0.560 -19.391 4.525 1.00 0.00 C ATOM 705 OG1 THR A 44 -0.588 -18.987 5.251 1.00 0.00 O ATOM 706 CG2 THR A 44 0.433 -20.876 4.257 1.00 0.00 C ATOM 0 H THR A 44 0.661 -17.536 6.183 1.00 0.00 H new ATOM 0 HA THR A 44 2.220 -19.906 5.790 1.00 0.00 H new ATOM 0 HB THR A 44 0.627 -18.868 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.394 -19.231 4.750 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.495 -21.071 3.719 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.278 -21.211 3.656 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.424 -21.417 5.203 1.00 0.00 H new ATOM 714 N LYS A 45 3.291 -19.421 3.384 1.00 0.00 N ATOM 715 CA LYS A 45 4.298 -19.093 2.384 1.00 0.00 C ATOM 716 C LYS A 45 3.832 -19.495 0.985 1.00 0.00 C ATOM 717 O LYS A 45 4.624 -19.529 0.043 1.00 0.00 O ATOM 718 CB LYS A 45 5.620 -19.790 2.713 1.00 0.00 C ATOM 719 CG LYS A 45 5.550 -21.306 2.625 1.00 0.00 C ATOM 720 CD LYS A 45 6.432 -21.967 3.673 1.00 0.00 C ATOM 721 CE LYS A 45 5.936 -23.361 4.021 1.00 0.00 C ATOM 722 NZ LYS A 45 6.234 -24.344 2.943 1.00 0.00 N ATOM 0 H LYS A 45 2.922 -20.369 3.314 1.00 0.00 H new ATOM 0 HA LYS A 45 4.449 -18.014 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.390 -19.430 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.929 -19.507 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.518 -21.632 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.860 -21.628 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.456 -22.026 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.453 -21.352 4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.401 -23.690 4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.861 -23.330 4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.879 -25.281 3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.769 -24.045 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.262 -24.393 2.793 1.00 0.00 H new ATOM 736 N HIS A 46 2.541 -19.793 0.855 1.00 0.00 N ATOM 737 CA HIS A 46 1.972 -20.187 -0.428 1.00 0.00 C ATOM 738 C HIS A 46 1.361 -18.981 -1.137 1.00 0.00 C ATOM 739 O HIS A 46 1.246 -17.905 -0.552 1.00 0.00 O ATOM 740 CB HIS A 46 0.909 -21.270 -0.224 1.00 0.00 C ATOM 741 CG HIS A 46 1.430 -22.662 -0.405 1.00 0.00 C ATOM 742 ND1 HIS A 46 0.628 -23.723 -0.771 1.00 0.00 N ATOM 743 CD2 HIS A 46 2.679 -23.166 -0.269 1.00 0.00 C ATOM 744 CE1 HIS A 46 1.361 -24.819 -0.851 1.00 0.00 C ATOM 745 NE2 HIS A 46 2.609 -24.509 -0.552 1.00 0.00 N ATOM 0 H HIS A 46 1.871 -19.769 1.623 1.00 0.00 H new ATOM 0 HA HIS A 46 2.771 -20.588 -1.051 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.492 -21.174 0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.092 -21.102 -0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.565 -22.615 0.010 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.001 -25.802 -1.116 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.394 -25.160 -0.534 1.00 0.00 H new ATOM 754 N PRO A 47 0.962 -19.143 -2.410 1.00 0.00 N ATOM 755 CA PRO A 47 0.365 -18.057 -3.196 1.00 0.00 C ATOM 756 C PRO A 47 -0.847 -17.435 -2.506 1.00 0.00 C ATOM 757 O PRO A 47 -1.990 -17.791 -2.795 1.00 0.00 O ATOM 758 CB PRO A 47 -0.057 -18.745 -4.498 1.00 0.00 C ATOM 759 CG PRO A 47 0.827 -19.939 -4.600 1.00 0.00 C ATOM 760 CD PRO A 47 1.068 -20.392 -3.188 1.00 0.00 C ATOM 0 HA PRO A 47 1.063 -17.233 -3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.108 -19.032 -4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.071 -18.083 -5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.355 -20.726 -5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.765 -19.690 -5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.330 -21.128 -2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.049 -20.854 -3.075 1.00 0.00 H new ATOM 768 N LYS A 48 -0.588 -16.503 -1.595 1.00 0.00 N ATOM 769 CA LYS A 48 -1.651 -15.826 -0.863 1.00 0.00 C ATOM 770 C LYS A 48 -1.534 -14.314 -1.028 1.00 0.00 C ATOM 771 O LYS A 48 -0.526 -13.810 -1.522 1.00 0.00 O ATOM 772 CB LYS A 48 -1.613 -16.209 0.618 1.00 0.00 C ATOM 773 CG LYS A 48 -2.940 -16.730 1.144 1.00 0.00 C ATOM 774 CD LYS A 48 -2.815 -17.239 2.570 1.00 0.00 C ATOM 775 CE LYS A 48 -4.130 -17.117 3.324 1.00 0.00 C ATOM 776 NZ LYS A 48 -4.711 -15.751 3.212 1.00 0.00 N ATOM 0 H LYS A 48 0.353 -16.199 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.609 -16.144 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.848 -16.970 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.316 -15.338 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.685 -15.935 1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.297 -17.534 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.497 -18.281 2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.042 -16.675 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.840 -17.846 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.969 -17.358 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.233 -15.523 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.947 -15.059 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.360 -15.715 2.400 1.00 0.00 H new ATOM 790 N LYS A 49 -2.574 -13.597 -0.623 1.00 0.00 N ATOM 791 CA LYS A 49 -2.592 -12.142 -0.738 1.00 0.00 C ATOM 792 C LYS A 49 -3.178 -11.503 0.514 1.00 0.00 C ATOM 793 O LYS A 49 -4.010 -10.598 0.433 1.00 0.00 O ATOM 794 CB LYS A 49 -3.401 -11.719 -1.966 1.00 0.00 C ATOM 795 CG LYS A 49 -4.848 -12.186 -1.933 1.00 0.00 C ATOM 796 CD LYS A 49 -5.814 -11.012 -1.940 1.00 0.00 C ATOM 797 CE LYS A 49 -7.226 -11.451 -1.590 1.00 0.00 C ATOM 798 NZ LYS A 49 -8.228 -10.392 -1.895 1.00 0.00 N ATOM 0 H LYS A 49 -3.417 -13.998 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.564 -11.799 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.381 -10.632 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.921 -12.115 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.045 -12.825 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.016 -12.791 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.479 -10.259 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.811 -10.543 -2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.473 -12.356 -2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.276 -11.704 -0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.178 -10.730 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.007 -9.537 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.199 -10.169 -2.910 1.00 0.00 H new ATOM 812 N GLY A 50 -2.737 -11.977 1.672 1.00 0.00 N ATOM 813 CA GLY A 50 -3.226 -11.440 2.923 1.00 0.00 C ATOM 814 C GLY A 50 -2.113 -10.919 3.808 1.00 0.00 C ATOM 815 O GLY A 50 -1.111 -11.598 4.028 1.00 0.00 O ATOM 0 H GLY A 50 -2.049 -12.724 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.930 -10.633 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.777 -12.215 3.456 1.00 0.00 H new ATOM 819 N VAL A 51 -2.297 -9.714 4.326 1.00 0.00 N ATOM 820 CA VAL A 51 -1.313 -9.102 5.207 1.00 0.00 C ATOM 821 C VAL A 51 -1.669 -9.372 6.665 1.00 0.00 C ATOM 822 O VAL A 51 -2.650 -8.837 7.182 1.00 0.00 O ATOM 823 CB VAL A 51 -1.218 -7.580 4.978 1.00 0.00 C ATOM 824 CG1 VAL A 51 -2.555 -6.908 5.254 1.00 0.00 C ATOM 825 CG2 VAL A 51 -0.120 -6.974 5.840 1.00 0.00 C ATOM 0 H VAL A 51 -3.121 -9.139 4.151 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.345 -9.547 4.976 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.963 -7.408 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.464 -5.835 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.313 -7.317 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.847 -7.090 6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.070 -5.900 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.339 -7.159 6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.837 -7.429 5.584 1.00 0.00 H new ATOM 835 N GLU A 52 -0.875 -10.209 7.323 1.00 0.00 N ATOM 836 CA GLU A 52 -1.124 -10.549 8.719 1.00 0.00 C ATOM 837 C GLU A 52 -1.141 -9.294 9.584 1.00 0.00 C ATOM 838 O GLU A 52 -0.734 -8.218 9.144 1.00 0.00 O ATOM 839 CB GLU A 52 -0.063 -11.529 9.227 1.00 0.00 C ATOM 840 CG GLU A 52 -0.640 -12.704 10.000 1.00 0.00 C ATOM 841 CD GLU A 52 -0.616 -12.482 11.500 1.00 0.00 C ATOM 842 OE1 GLU A 52 0.230 -11.694 11.970 1.00 0.00 O ATOM 843 OE2 GLU A 52 -1.443 -13.099 12.204 1.00 0.00 O ATOM 0 H GLU A 52 -0.058 -10.663 6.915 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.102 -11.026 8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.506 -11.908 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.638 -10.993 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.667 -12.877 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.075 -13.605 9.760 1.00 0.00 H new ATOM 850 N LYS A 53 -1.619 -9.435 10.812 1.00 0.00 N ATOM 851 CA LYS A 53 -1.695 -8.307 11.734 1.00 0.00 C ATOM 852 C LYS A 53 -0.587 -8.380 12.779 1.00 0.00 C ATOM 853 O LYS A 53 -0.716 -9.078 13.784 1.00 0.00 O ATOM 854 CB LYS A 53 -3.060 -8.276 12.426 1.00 0.00 C ATOM 855 CG LYS A 53 -4.219 -8.637 11.511 1.00 0.00 C ATOM 856 CD LYS A 53 -4.500 -10.131 11.530 1.00 0.00 C ATOM 857 CE LYS A 53 -5.994 -10.418 11.535 1.00 0.00 C ATOM 858 NZ LYS A 53 -6.327 -11.611 12.359 1.00 0.00 N ATOM 0 H LYS A 53 -1.960 -10.317 11.194 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.566 -7.392 11.156 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.046 -8.967 13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.228 -7.279 12.834 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.112 -8.094 11.821 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.992 -8.321 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.042 -10.599 10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.040 -10.578 12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.529 -9.550 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.337 -10.576 10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.354 -11.773 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.837 -12.445 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.023 -11.451 13.341 1.00 0.00 H new ATOM 872 N TYR A 54 0.500 -7.651 12.541 1.00 0.00 N ATOM 873 CA TYR A 54 1.621 -7.638 13.476 1.00 0.00 C ATOM 874 C TYR A 54 1.758 -6.267 14.135 1.00 0.00 C ATOM 875 O TYR A 54 2.108 -6.170 15.310 1.00 0.00 O ATOM 876 CB TYR A 54 2.939 -8.031 12.784 1.00 0.00 C ATOM 877 CG TYR A 54 2.886 -8.072 11.267 1.00 0.00 C ATOM 878 CD1 TYR A 54 1.941 -8.842 10.597 1.00 0.00 C ATOM 879 CD2 TYR A 54 3.792 -7.343 10.507 1.00 0.00 C ATOM 880 CE1 TYR A 54 1.901 -8.880 9.214 1.00 0.00 C ATOM 881 CE2 TYR A 54 3.757 -7.378 9.126 1.00 0.00 C ATOM 882 CZ TYR A 54 2.809 -8.146 8.487 1.00 0.00 C ATOM 883 OH TYR A 54 2.771 -8.180 7.112 1.00 0.00 O ATOM 0 H TYR A 54 0.628 -7.066 11.715 1.00 0.00 H new ATOM 0 HA TYR A 54 1.413 -8.380 14.247 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.713 -7.326 13.086 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.243 -9.013 13.148 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.227 -9.420 11.165 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.536 -6.739 11.004 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.161 -9.483 8.709 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.470 -6.806 8.551 1.00 0.00 H new ATOM 0 HH TYR A 54 3.499 -7.632 6.751 1.00 0.00 H new ATOM 893 N GLY A 55 1.458 -5.211 13.380 1.00 0.00 N ATOM 894 CA GLY A 55 1.535 -3.865 13.926 1.00 0.00 C ATOM 895 C GLY A 55 2.756 -3.081 13.463 1.00 0.00 C ATOM 896 O GLY A 55 2.624 -2.124 12.698 1.00 0.00 O ATOM 0 H GLY A 55 1.164 -5.263 12.405 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.635 -3.317 13.645 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.545 -3.925 15.014 1.00 0.00 H new ATOM 900 N PRO A 56 3.964 -3.448 13.930 1.00 0.00 N ATOM 901 CA PRO A 56 5.208 -2.751 13.574 1.00 0.00 C ATOM 902 C PRO A 56 5.382 -2.512 12.074 1.00 0.00 C ATOM 903 O PRO A 56 6.182 -1.670 11.667 1.00 0.00 O ATOM 904 CB PRO A 56 6.294 -3.697 14.086 1.00 0.00 C ATOM 905 CG PRO A 56 5.661 -4.399 15.234 1.00 0.00 C ATOM 906 CD PRO A 56 4.212 -4.563 14.867 1.00 0.00 C ATOM 0 HA PRO A 56 5.232 -1.750 14.005 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.606 -4.400 13.313 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.184 -3.150 14.397 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.132 -5.366 15.408 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.769 -3.822 16.152 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.024 -5.529 14.399 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.567 -4.502 15.743 1.00 0.00 H new ATOM 914 N GLU A 57 4.654 -3.259 11.251 1.00 0.00 N ATOM 915 CA GLU A 57 4.768 -3.117 9.804 1.00 0.00 C ATOM 916 C GLU A 57 3.728 -2.153 9.234 1.00 0.00 C ATOM 917 O GLU A 57 4.041 -1.326 8.378 1.00 0.00 O ATOM 918 CB GLU A 57 4.626 -4.480 9.128 1.00 0.00 C ATOM 919 CG GLU A 57 4.631 -4.416 7.606 1.00 0.00 C ATOM 920 CD GLU A 57 3.463 -5.160 6.987 1.00 0.00 C ATOM 921 OE1 GLU A 57 2.305 -4.813 7.300 1.00 0.00 O ATOM 922 OE2 GLU A 57 3.709 -6.088 6.188 1.00 0.00 O ATOM 0 H GLU A 57 3.984 -3.964 11.558 1.00 0.00 H new ATOM 0 HA GLU A 57 5.755 -2.702 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.440 -5.125 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.697 -4.944 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.601 -3.373 7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.564 -4.836 7.231 1.00 0.00 H new ATOM 929 N ALA A 58 2.486 -2.282 9.680 1.00 0.00 N ATOM 930 CA ALA A 58 1.413 -1.436 9.174 1.00 0.00 C ATOM 931 C ALA A 58 1.236 -0.158 9.988 1.00 0.00 C ATOM 932 O ALA A 58 1.437 0.944 9.480 1.00 0.00 O ATOM 933 CB ALA A 58 0.111 -2.221 9.136 1.00 0.00 C ATOM 0 H ALA A 58 2.197 -2.959 10.386 1.00 0.00 H new ATOM 0 HA ALA A 58 1.691 -1.131 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.687 -1.583 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.226 -3.085 8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.140 -2.558 10.142 1.00 0.00 H new ATOM 939 N SER A 59 0.835 -0.306 11.243 1.00 0.00 N ATOM 940 CA SER A 59 0.604 0.844 12.109 1.00 0.00 C ATOM 941 C SER A 59 1.892 1.612 12.401 1.00 0.00 C ATOM 942 O SER A 59 1.881 2.838 12.506 1.00 0.00 O ATOM 943 CB SER A 59 -0.045 0.393 13.422 1.00 0.00 C ATOM 944 OG SER A 59 0.935 0.051 14.389 1.00 0.00 O ATOM 0 H SER A 59 0.663 -1.209 11.685 1.00 0.00 H new ATOM 0 HA SER A 59 -0.069 1.519 11.581 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.679 1.190 13.810 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.690 -0.465 13.235 1.00 0.00 H new ATOM 0 HG SER A 59 1.542 -0.622 14.016 1.00 0.00 H new ATOM 950 N ALA A 60 2.995 0.888 12.554 1.00 0.00 N ATOM 951 CA ALA A 60 4.277 1.516 12.860 1.00 0.00 C ATOM 952 C ALA A 60 5.063 1.906 11.609 1.00 0.00 C ATOM 953 O ALA A 60 5.437 3.066 11.444 1.00 0.00 O ATOM 954 CB ALA A 60 5.113 0.597 13.736 1.00 0.00 C ATOM 0 H ALA A 60 3.029 -0.128 12.472 1.00 0.00 H new ATOM 0 HA ALA A 60 4.056 2.439 13.395 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.067 1.075 13.958 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.581 0.398 14.666 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.291 -0.342 13.212 1.00 0.00 H new ATOM 960 N PHE A 61 5.342 0.932 10.747 1.00 0.00 N ATOM 961 CA PHE A 61 6.122 1.185 9.538 1.00 0.00 C ATOM 962 C PHE A 61 5.452 2.194 8.606 1.00 0.00 C ATOM 963 O PHE A 61 5.954 3.300 8.422 1.00 0.00 O ATOM 964 CB PHE A 61 6.374 -0.122 8.789 1.00 0.00 C ATOM 965 CG PHE A 61 7.824 -0.374 8.491 1.00 0.00 C ATOM 966 CD1 PHE A 61 8.687 -0.792 9.490 1.00 0.00 C ATOM 967 CD2 PHE A 61 8.320 -0.194 7.211 1.00 0.00 C ATOM 968 CE1 PHE A 61 10.021 -1.026 9.218 1.00 0.00 C ATOM 969 CE2 PHE A 61 9.654 -0.426 6.932 1.00 0.00 C ATOM 970 CZ PHE A 61 10.506 -0.843 7.937 1.00 0.00 C ATOM 0 H PHE A 61 5.041 -0.036 10.862 1.00 0.00 H new ATOM 0 HA PHE A 61 7.070 1.618 9.858 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.984 -0.951 9.380 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.816 -0.108 7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.313 -0.937 10.493 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.658 0.131 6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.684 -1.352 10.006 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.030 -0.282 5.930 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.548 -1.025 7.722 1.00 0.00 H new ATOM 980 N THR A 62 4.338 1.798 7.998 1.00 0.00 N ATOM 981 CA THR A 62 3.624 2.661 7.053 1.00 0.00 C ATOM 982 C THR A 62 3.567 4.118 7.517 1.00 0.00 C ATOM 983 O THR A 62 4.151 4.998 6.887 1.00 0.00 O ATOM 984 CB THR A 62 2.206 2.137 6.826 1.00 0.00 C ATOM 985 OG1 THR A 62 2.231 0.781 6.417 1.00 0.00 O ATOM 986 CG2 THR A 62 1.445 2.920 5.779 1.00 0.00 C ATOM 0 H THR A 62 3.907 0.885 8.141 1.00 0.00 H new ATOM 0 HA THR A 62 4.183 2.637 6.117 1.00 0.00 H new ATOM 0 HB THR A 62 1.697 2.248 7.784 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.314 0.464 6.279 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.446 2.499 5.664 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.366 3.962 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.974 2.864 4.827 1.00 0.00 H new ATOM 994 N LYS A 63 2.852 4.370 8.608 1.00 0.00 N ATOM 995 CA LYS A 63 2.714 5.725 9.135 1.00 0.00 C ATOM 996 C LYS A 63 4.070 6.372 9.416 1.00 0.00 C ATOM 997 O LYS A 63 4.189 7.597 9.421 1.00 0.00 O ATOM 998 CB LYS A 63 1.877 5.710 10.413 1.00 0.00 C ATOM 999 CG LYS A 63 1.599 7.097 10.964 1.00 0.00 C ATOM 1000 CD LYS A 63 2.621 7.496 12.016 1.00 0.00 C ATOM 1001 CE LYS A 63 2.818 9.002 12.061 1.00 0.00 C ATOM 1002 NZ LYS A 63 1.689 9.690 12.748 1.00 0.00 N ATOM 0 H LYS A 63 2.359 3.656 9.145 1.00 0.00 H new ATOM 0 HA LYS A 63 2.212 6.320 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.930 5.209 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.394 5.122 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.612 7.822 10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.600 7.123 11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.295 7.142 12.994 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.573 7.010 11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.750 9.231 12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.913 9.386 11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.862 10.716 12.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.802 9.493 12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.614 9.342 13.725 1.00 0.00 H new ATOM 1016 N LYS A 64 5.086 5.552 9.664 1.00 0.00 N ATOM 1017 CA LYS A 64 6.422 6.063 9.963 1.00 0.00 C ATOM 1018 C LYS A 64 7.246 6.280 8.694 1.00 0.00 C ATOM 1019 O LYS A 64 7.640 7.404 8.383 1.00 0.00 O ATOM 1020 CB LYS A 64 7.156 5.098 10.898 1.00 0.00 C ATOM 1021 CG LYS A 64 8.563 5.548 11.257 1.00 0.00 C ATOM 1022 CD LYS A 64 8.792 5.523 12.761 1.00 0.00 C ATOM 1023 CE LYS A 64 8.271 6.787 13.425 1.00 0.00 C ATOM 1024 NZ LYS A 64 8.967 7.065 14.712 1.00 0.00 N ATOM 0 H LYS A 64 5.012 4.535 9.664 1.00 0.00 H new ATOM 0 HA LYS A 64 6.302 7.030 10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.576 4.982 11.814 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.207 4.117 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.289 4.900 10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.731 6.557 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.295 4.653 13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.857 5.416 12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.404 7.633 12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.201 6.688 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.583 7.935 15.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.819 6.269 15.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.985 7.185 14.537 1.00 0.00 H new ATOM 1038 N MET A 65 7.515 5.196 7.976 1.00 0.00 N ATOM 1039 CA MET A 65 8.308 5.254 6.751 1.00 0.00 C ATOM 1040 C MET A 65 7.792 6.321 5.788 1.00 0.00 C ATOM 1041 O MET A 65 8.543 6.826 4.954 1.00 0.00 O ATOM 1042 CB MET A 65 8.310 3.887 6.063 1.00 0.00 C ATOM 1043 CG MET A 65 9.536 3.048 6.384 1.00 0.00 C ATOM 1044 SD MET A 65 10.760 3.067 5.059 1.00 0.00 S ATOM 1045 CE MET A 65 10.098 1.806 3.973 1.00 0.00 C ATOM 0 H MET A 65 7.194 4.260 8.222 1.00 0.00 H new ATOM 0 HA MET A 65 9.326 5.525 7.030 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.416 3.338 6.360 1.00 0.00 H new ATOM 0 HB3 MET A 65 8.251 4.032 4.984 1.00 0.00 H new ATOM 0 HG2 MET A 65 9.994 3.418 7.301 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.228 2.020 6.574 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.337 2.055 2.939 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.538 0.841 4.225 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.016 1.754 4.093 1.00 0.00 H new ATOM 1055 N VAL A 66 6.513 6.659 5.900 1.00 0.00 N ATOM 1056 CA VAL A 66 5.917 7.664 5.029 1.00 0.00 C ATOM 1057 C VAL A 66 6.313 9.072 5.459 1.00 0.00 C ATOM 1058 O VAL A 66 6.426 9.976 4.630 1.00 0.00 O ATOM 1059 CB VAL A 66 4.383 7.549 5.013 1.00 0.00 C ATOM 1060 CG1 VAL A 66 3.960 6.225 4.393 1.00 0.00 C ATOM 1061 CG2 VAL A 66 3.820 7.698 6.420 1.00 0.00 C ATOM 0 H VAL A 66 5.872 6.254 6.582 1.00 0.00 H new ATOM 0 HA VAL A 66 6.297 7.480 4.024 1.00 0.00 H new ATOM 0 HB VAL A 66 3.978 8.356 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.872 6.157 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.332 6.167 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.373 5.402 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.734 7.614 6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.226 6.914 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.097 8.673 6.821 1.00 0.00 H new ATOM 1071 N GLU A 67 6.525 9.252 6.758 1.00 0.00 N ATOM 1072 CA GLU A 67 6.912 10.552 7.295 1.00 0.00 C ATOM 1073 C GLU A 67 8.431 10.672 7.418 1.00 0.00 C ATOM 1074 O GLU A 67 8.955 11.761 7.656 1.00 0.00 O ATOM 1075 CB GLU A 67 6.261 10.773 8.661 1.00 0.00 C ATOM 1076 CG GLU A 67 6.263 12.227 9.106 1.00 0.00 C ATOM 1077 CD GLU A 67 5.242 13.066 8.364 1.00 0.00 C ATOM 1078 OE1 GLU A 67 4.821 12.653 7.262 1.00 0.00 O ATOM 1079 OE2 GLU A 67 4.863 14.137 8.882 1.00 0.00 O ATOM 0 H GLU A 67 6.436 8.515 7.458 1.00 0.00 H new ATOM 0 HA GLU A 67 6.565 11.318 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.233 10.413 8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.784 10.173 9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.059 12.276 10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.256 12.649 8.951 1.00 0.00 H new ATOM 1086 N ASN A 68 9.135 9.553 7.262 1.00 0.00 N ATOM 1087 CA ASN A 68 10.590 9.546 7.364 1.00 0.00 C ATOM 1088 C ASN A 68 11.243 9.602 5.985 1.00 0.00 C ATOM 1089 O ASN A 68 12.358 10.104 5.838 1.00 0.00 O ATOM 1090 CB ASN A 68 11.062 8.298 8.112 1.00 0.00 C ATOM 1091 CG ASN A 68 10.641 8.303 9.568 1.00 0.00 C ATOM 1092 OD1 ASN A 68 10.114 9.296 10.071 1.00 0.00 O ATOM 1093 ND2 ASN A 68 10.874 7.191 10.255 1.00 0.00 N ATOM 0 H ASN A 68 8.721 8.642 7.065 1.00 0.00 H new ATOM 0 HA ASN A 68 10.890 10.435 7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.659 7.411 7.623 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.148 8.230 8.051 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.614 7.136 11.240 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.313 6.392 9.798 1.00 0.00 H new ATOM 1100 N ALA A 69 10.548 9.083 4.977 1.00 0.00 N ATOM 1101 CA ALA A 69 11.068 9.077 3.615 1.00 0.00 C ATOM 1102 C ALA A 69 10.417 10.166 2.773 1.00 0.00 C ATOM 1103 O ALA A 69 9.231 10.459 2.926 1.00 0.00 O ATOM 1104 CB ALA A 69 10.854 7.713 2.974 1.00 0.00 C ATOM 0 H ALA A 69 9.625 8.662 5.078 1.00 0.00 H new ATOM 0 HA ALA A 69 12.138 9.281 3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.247 7.723 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.373 6.952 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.788 7.486 2.949 1.00 0.00 H new ATOM 1110 N LYS A 70 11.200 10.764 1.880 1.00 0.00 N ATOM 1111 CA LYS A 70 10.699 11.821 1.010 1.00 0.00 C ATOM 1112 C LYS A 70 10.317 11.264 -0.358 1.00 0.00 C ATOM 1113 O LYS A 70 10.390 11.967 -1.366 1.00 0.00 O ATOM 1114 CB LYS A 70 11.750 12.920 0.853 1.00 0.00 C ATOM 1115 CG LYS A 70 13.017 12.456 0.155 1.00 0.00 C ATOM 1116 CD LYS A 70 14.144 13.463 0.319 1.00 0.00 C ATOM 1117 CE LYS A 70 14.653 13.502 1.752 1.00 0.00 C ATOM 1118 NZ LYS A 70 14.896 14.895 2.217 1.00 0.00 N ATOM 0 H LYS A 70 12.184 10.534 1.740 1.00 0.00 H new ATOM 0 HA LYS A 70 9.807 12.245 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.317 13.747 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.009 13.307 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.326 11.493 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.815 12.304 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.963 13.206 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.793 14.454 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.927 13.022 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.577 12.929 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.242 14.878 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.607 15.346 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.009 15.436 2.172 1.00 0.00 H new ATOM 1132 N LYS A 71 9.910 9.998 -0.386 1.00 0.00 N ATOM 1133 CA LYS A 71 9.517 9.351 -1.632 1.00 0.00 C ATOM 1134 C LYS A 71 8.483 8.259 -1.382 1.00 0.00 C ATOM 1135 O LYS A 71 8.827 7.139 -1.004 1.00 0.00 O ATOM 1136 CB LYS A 71 10.736 8.755 -2.334 1.00 0.00 C ATOM 1137 CG LYS A 71 11.643 7.956 -1.410 1.00 0.00 C ATOM 1138 CD LYS A 71 13.109 8.280 -1.648 1.00 0.00 C ATOM 1139 CE LYS A 71 13.401 9.757 -1.428 1.00 0.00 C ATOM 1140 NZ LYS A 71 14.016 10.386 -2.629 1.00 0.00 N ATOM 0 H LYS A 71 9.844 9.402 0.439 1.00 0.00 H new ATOM 0 HA LYS A 71 9.071 10.111 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.398 8.109 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.313 9.561 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.386 8.170 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.475 6.890 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.727 7.683 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.383 8.002 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.476 10.277 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.070 9.872 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.199 11.392 -2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.912 9.907 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.367 10.299 -3.437 1.00 0.00 H new ATOM 1154 N ILE A 72 7.219 8.593 -1.603 1.00 0.00 N ATOM 1155 CA ILE A 72 6.131 7.644 -1.414 1.00 0.00 C ATOM 1156 C ILE A 72 5.386 7.422 -2.725 1.00 0.00 C ATOM 1157 O ILE A 72 4.485 8.184 -3.073 1.00 0.00 O ATOM 1158 CB ILE A 72 5.139 8.133 -0.341 1.00 0.00 C ATOM 1159 CG1 ILE A 72 5.882 8.482 0.951 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.074 7.078 -0.077 1.00 0.00 C ATOM 1161 CD1 ILE A 72 5.473 9.812 1.543 1.00 0.00 C ATOM 0 H ILE A 72 6.921 9.518 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 72 6.571 6.705 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 72 4.645 9.032 -0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.705 7.697 1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.954 8.496 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.383 7.441 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.527 6.875 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.549 6.161 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.040 9.994 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.676 10.607 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.408 9.795 1.774 1.00 0.00 H new ATOM 1173 N GLU A 73 5.772 6.379 -3.454 1.00 0.00 N ATOM 1174 CA GLU A 73 5.138 6.073 -4.729 1.00 0.00 C ATOM 1175 C GLU A 73 4.028 5.045 -4.550 1.00 0.00 C ATOM 1176 O GLU A 73 4.186 4.066 -3.821 1.00 0.00 O ATOM 1177 CB GLU A 73 6.173 5.565 -5.735 1.00 0.00 C ATOM 1178 CG GLU A 73 6.114 6.276 -7.078 1.00 0.00 C ATOM 1179 CD GLU A 73 7.215 7.305 -7.242 1.00 0.00 C ATOM 1180 OE1 GLU A 73 8.381 6.982 -6.927 1.00 0.00 O ATOM 1181 OE2 GLU A 73 6.913 8.432 -7.685 1.00 0.00 O ATOM 0 H GLU A 73 6.516 5.736 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 73 4.696 6.991 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.170 5.687 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.022 4.497 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.188 5.540 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.146 6.765 -7.184 1.00 0.00 H new ATOM 1188 N VAL A 74 2.903 5.276 -5.218 1.00 0.00 N ATOM 1189 CA VAL A 74 1.765 4.373 -5.129 1.00 0.00 C ATOM 1190 C VAL A 74 1.447 3.745 -6.478 1.00 0.00 C ATOM 1191 O VAL A 74 0.846 4.379 -7.345 1.00 0.00 O ATOM 1192 CB VAL A 74 0.509 5.097 -4.607 1.00 0.00 C ATOM 1193 CG1 VAL A 74 -0.606 4.102 -4.328 1.00 0.00 C ATOM 1194 CG2 VAL A 74 0.836 5.904 -3.359 1.00 0.00 C ATOM 0 H VAL A 74 2.756 6.081 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 74 2.045 3.590 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 74 0.165 5.786 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.484 4.633 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.860 3.573 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.274 3.385 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.064 6.408 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.208 5.237 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.599 6.646 -3.595 1.00 0.00 H new ATOM 1204 N GLU A 75 1.843 2.489 -6.642 1.00 0.00 N ATOM 1205 CA GLU A 75 1.589 1.762 -7.879 1.00 0.00 C ATOM 1206 C GLU A 75 0.106 1.426 -7.993 1.00 0.00 C ATOM 1207 O GLU A 75 -0.278 0.257 -7.981 1.00 0.00 O ATOM 1208 CB GLU A 75 2.422 0.478 -7.912 1.00 0.00 C ATOM 1209 CG GLU A 75 2.529 -0.145 -9.294 1.00 0.00 C ATOM 1210 CD GLU A 75 1.961 -1.550 -9.348 1.00 0.00 C ATOM 1211 OE1 GLU A 75 0.719 -1.689 -9.334 1.00 0.00 O ATOM 1212 OE2 GLU A 75 2.756 -2.510 -9.404 1.00 0.00 O ATOM 0 H GLU A 75 2.342 1.952 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 75 1.874 2.390 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.424 0.696 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.981 -0.248 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.003 0.483 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.576 -0.169 -9.597 1.00 0.00 H new ATOM 1219 N PHE A 76 -0.729 2.459 -8.078 1.00 0.00 N ATOM 1220 CA PHE A 76 -2.169 2.263 -8.165 1.00 0.00 C ATOM 1221 C PHE A 76 -2.701 2.567 -9.567 1.00 0.00 C ATOM 1222 O PHE A 76 -2.000 3.142 -10.399 1.00 0.00 O ATOM 1223 CB PHE A 76 -2.866 3.113 -7.083 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.725 4.246 -7.583 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.276 5.107 -8.574 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -4.982 4.453 -7.041 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -4.070 6.147 -9.017 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.777 5.493 -7.477 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.323 6.341 -8.467 1.00 0.00 C ATOM 0 H PHE A 76 -0.433 3.435 -8.088 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.394 1.213 -7.981 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.486 2.454 -6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.101 3.526 -6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.296 4.963 -9.003 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.345 3.792 -6.267 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.712 6.808 -9.792 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.755 5.644 -7.044 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.945 7.154 -8.811 1.00 0.00 H new ATOM 1239 N ASP A 77 -3.945 2.166 -9.817 1.00 0.00 N ATOM 1240 CA ASP A 77 -4.583 2.380 -11.111 1.00 0.00 C ATOM 1241 C ASP A 77 -5.595 3.518 -11.049 1.00 0.00 C ATOM 1242 O ASP A 77 -6.045 3.907 -9.971 1.00 0.00 O ATOM 1243 CB ASP A 77 -5.276 1.098 -11.578 1.00 0.00 C ATOM 1244 CG ASP A 77 -5.514 1.082 -13.076 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -6.372 1.857 -13.548 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -4.842 0.296 -13.775 1.00 0.00 O ATOM 0 H ASP A 77 -4.534 1.688 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.805 2.652 -11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.667 0.237 -11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.230 0.994 -11.060 1.00 0.00 H new ATOM 1251 N LYS A 78 -5.957 4.041 -12.218 1.00 0.00 N ATOM 1252 CA LYS A 78 -6.926 5.127 -12.304 1.00 0.00 C ATOM 1253 C LYS A 78 -8.297 4.587 -12.704 1.00 0.00 C ATOM 1254 O LYS A 78 -9.071 5.262 -13.383 1.00 0.00 O ATOM 1255 CB LYS A 78 -6.460 6.179 -13.313 1.00 0.00 C ATOM 1256 CG LYS A 78 -5.304 7.030 -12.811 1.00 0.00 C ATOM 1257 CD LYS A 78 -4.494 7.605 -13.961 1.00 0.00 C ATOM 1258 CE LYS A 78 -3.072 7.929 -13.533 1.00 0.00 C ATOM 1259 NZ LYS A 78 -2.518 9.094 -14.276 1.00 0.00 N ATOM 0 H LYS A 78 -5.593 3.729 -13.118 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.007 5.595 -11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.160 5.680 -14.234 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.299 6.829 -13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.690 7.842 -12.195 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.657 6.427 -12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.474 6.892 -14.785 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.978 8.508 -14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.054 8.139 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.437 7.059 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.637 9.409 -13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.320 8.817 -15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.209 9.871 -14.268 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.584 3.367 -12.268 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.852 2.735 -12.567 1.00 0.00 C ATOM 1275 C GLY A 79 -10.098 1.576 -11.637 1.00 0.00 C ATOM 1276 O GLY A 79 -10.689 0.566 -12.021 1.00 0.00 O ATOM 0 H GLY A 79 -7.951 2.799 -11.705 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.658 3.462 -12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.857 2.387 -13.600 1.00 0.00 H new ATOM 1280 N GLN A 80 -9.621 1.724 -10.411 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.761 0.688 -9.411 1.00 0.00 C ATOM 1282 C GLN A 80 -11.158 0.690 -8.824 1.00 0.00 C ATOM 1283 O GLN A 80 -11.672 1.720 -8.389 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.726 0.869 -8.301 1.00 0.00 C ATOM 1285 CG GLN A 80 -7.642 -0.192 -8.286 1.00 0.00 C ATOM 1286 CD GLN A 80 -8.171 -1.596 -8.516 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -9.272 -1.936 -8.084 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -7.385 -2.419 -9.201 1.00 0.00 N ATOM 0 H GLN A 80 -9.131 2.558 -10.087 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.591 -0.273 -9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.260 1.848 -8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.237 0.865 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.905 0.041 -9.054 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.125 -0.159 -7.327 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.479 -2.095 -9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.687 -3.375 -9.388 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.753 -0.483 -8.824 1.00 0.00 N ATOM 1298 CA ARG A 81 -13.101 -0.668 -8.298 1.00 0.00 C ATOM 1299 C ARG A 81 -13.148 -0.365 -6.804 1.00 0.00 C ATOM 1300 O ARG A 81 -13.162 -1.275 -5.975 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.581 -2.098 -8.559 1.00 0.00 C ATOM 1302 CG ARG A 81 -14.332 -2.257 -9.870 1.00 0.00 C ATOM 1303 CD ARG A 81 -14.931 -3.647 -10.005 1.00 0.00 C ATOM 1304 NE ARG A 81 -16.233 -3.749 -9.351 1.00 0.00 N ATOM 1305 CZ ARG A 81 -17.363 -3.277 -9.872 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -17.355 -2.671 -11.053 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -18.505 -3.410 -9.210 1.00 0.00 N ATOM 0 H ARG A 81 -11.324 -1.335 -9.185 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.764 0.028 -8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.720 -2.767 -8.559 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.228 -2.411 -7.739 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.125 -1.511 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.655 -2.069 -10.703 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.036 -3.895 -11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.249 -4.379 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.279 -4.209 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.480 -2.565 -11.566 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.224 -2.311 -11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.517 -3.874 -8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.371 -3.048 -9.609 1.00 0.00 H new ATOM 1321 N THR A 82 -13.172 0.920 -6.469 1.00 0.00 N ATOM 1322 CA THR A 82 -13.218 1.348 -5.075 1.00 0.00 C ATOM 1323 C THR A 82 -14.655 1.596 -4.631 1.00 0.00 C ATOM 1324 O THR A 82 -15.468 2.122 -5.392 1.00 0.00 O ATOM 1325 CB THR A 82 -12.387 2.618 -4.886 1.00 0.00 C ATOM 1326 OG1 THR A 82 -11.063 2.425 -5.349 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.307 3.071 -3.443 1.00 0.00 C ATOM 0 H THR A 82 -13.160 1.685 -7.144 1.00 0.00 H new ATOM 0 HA THR A 82 -12.799 0.552 -4.460 1.00 0.00 H new ATOM 0 HB THR A 82 -12.899 3.387 -5.464 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.526 3.220 -5.146 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.703 3.976 -3.379 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.310 3.277 -3.070 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.850 2.287 -2.840 1.00 0.00 H new ATOM 1335 N ASP A 83 -14.965 1.217 -3.396 1.00 0.00 N ATOM 1336 CA ASP A 83 -16.307 1.404 -2.853 1.00 0.00 C ATOM 1337 C ASP A 83 -16.703 2.877 -2.885 1.00 0.00 C ATOM 1338 O ASP A 83 -17.774 3.233 -3.375 1.00 0.00 O ATOM 1339 CB ASP A 83 -16.380 0.874 -1.421 1.00 0.00 C ATOM 1340 CG ASP A 83 -15.897 -0.559 -1.308 1.00 0.00 C ATOM 1341 OD1 ASP A 83 -14.686 -0.794 -1.504 1.00 0.00 O ATOM 1342 OD2 ASP A 83 -16.729 -1.447 -1.026 1.00 0.00 O ATOM 0 H ASP A 83 -14.307 0.779 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 83 -17.006 0.844 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.779 1.509 -0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.409 0.937 -1.066 1.00 0.00 H new ATOM 1347 N LYS A 84 -15.827 3.727 -2.363 1.00 0.00 N ATOM 1348 CA LYS A 84 -16.075 5.164 -2.333 1.00 0.00 C ATOM 1349 C LYS A 84 -14.808 5.933 -2.687 1.00 0.00 C ATOM 1350 O LYS A 84 -14.732 6.579 -3.732 1.00 0.00 O ATOM 1351 CB LYS A 84 -16.578 5.590 -0.953 1.00 0.00 C ATOM 1352 CG LYS A 84 -17.372 6.886 -0.967 1.00 0.00 C ATOM 1353 CD LYS A 84 -18.867 6.624 -1.061 1.00 0.00 C ATOM 1354 CE LYS A 84 -19.671 7.900 -0.875 1.00 0.00 C ATOM 1355 NZ LYS A 84 -20.357 7.936 0.446 1.00 0.00 N ATOM 0 H LYS A 84 -14.936 3.445 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 84 -16.841 5.394 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.202 4.796 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.725 5.704 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -17.158 7.455 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.055 7.499 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -19.100 6.185 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -19.158 5.896 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -19.010 8.762 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -20.411 7.982 -1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -20.895 8.822 0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -21.007 7.128 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.649 7.884 1.206 1.00 0.00 H new ATOM 1369 N TYR A 85 -13.812 5.853 -1.812 1.00 0.00 N ATOM 1370 CA TYR A 85 -12.540 6.536 -2.031 1.00 0.00 C ATOM 1371 C TYR A 85 -11.521 6.137 -0.977 1.00 0.00 C ATOM 1372 O TYR A 85 -10.599 6.897 -0.679 1.00 0.00 O ATOM 1373 CB TYR A 85 -12.729 8.051 -1.994 1.00 0.00 C ATOM 1374 CG TYR A 85 -13.012 8.667 -3.346 1.00 0.00 C ATOM 1375 CD1 TYR A 85 -12.065 8.624 -4.362 1.00 0.00 C ATOM 1376 CD2 TYR A 85 -14.225 9.292 -3.605 1.00 0.00 C ATOM 1377 CE1 TYR A 85 -12.318 9.188 -5.597 1.00 0.00 C ATOM 1378 CE2 TYR A 85 -14.487 9.857 -4.839 1.00 0.00 C ATOM 1379 CZ TYR A 85 -13.531 9.803 -5.832 1.00 0.00 C ATOM 1380 OH TYR A 85 -13.788 10.366 -7.060 1.00 0.00 O ATOM 0 H TYR A 85 -13.860 5.321 -0.943 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.173 6.240 -3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -13.551 8.288 -1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.832 8.509 -1.578 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.115 8.142 -4.183 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -14.976 9.337 -2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.570 9.148 -6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -15.436 10.338 -5.025 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.687 10.756 -7.059 1.00 0.00 H new ATOM 1390 N GLY A 86 -11.692 4.954 -0.403 1.00 0.00 N ATOM 1391 CA GLY A 86 -10.772 4.513 0.619 1.00 0.00 C ATOM 1392 C GLY A 86 -10.312 3.083 0.449 1.00 0.00 C ATOM 1393 O GLY A 86 -9.463 2.606 1.202 1.00 0.00 O ATOM 0 H GLY A 86 -12.443 4.300 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.901 5.168 0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.248 4.618 1.594 1.00 0.00 H new ATOM 1397 N ARG A 87 -10.873 2.378 -0.523 1.00 0.00 N ATOM 1398 CA ARG A 87 -10.496 0.991 -0.743 1.00 0.00 C ATOM 1399 C ARG A 87 -9.809 0.823 -2.083 1.00 0.00 C ATOM 1400 O ARG A 87 -10.028 -0.152 -2.802 1.00 0.00 O ATOM 1401 CB ARG A 87 -11.715 0.082 -0.616 1.00 0.00 C ATOM 1402 CG ARG A 87 -12.033 -0.279 0.830 1.00 0.00 C ATOM 1403 CD ARG A 87 -11.666 0.851 1.788 1.00 0.00 C ATOM 1404 NE ARG A 87 -12.362 0.739 3.065 1.00 0.00 N ATOM 1405 CZ ARG A 87 -12.014 -0.110 4.030 1.00 0.00 C ATOM 1406 NH1 ARG A 87 -10.980 -0.925 3.864 1.00 0.00 N ATOM 1407 NH2 ARG A 87 -12.700 -0.142 5.164 1.00 0.00 N ATOM 0 H ARG A 87 -11.581 2.738 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.781 0.698 0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.579 0.576 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.542 -0.832 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.095 -0.505 0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.490 -1.182 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.590 0.843 1.961 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.908 1.809 1.327 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.164 1.348 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.448 -0.903 2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.717 -1.573 4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.494 0.484 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.433 -0.792 5.903 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.952 1.784 -2.388 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.181 1.777 -3.616 1.00 0.00 C ATOM 1423 C TRP A 88 -6.984 0.855 -3.456 1.00 0.00 C ATOM 1424 O TRP A 88 -6.416 0.761 -2.371 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.679 3.192 -3.926 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.702 4.084 -4.558 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.607 4.885 -3.921 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -8.909 4.279 -5.957 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.368 5.562 -4.844 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -9.957 5.205 -6.103 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.306 3.756 -7.100 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -10.416 5.618 -7.352 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -8.758 4.163 -8.336 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -9.805 5.087 -8.457 1.00 0.00 C ATOM 0 H TRP A 88 -8.773 2.590 -1.789 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.815 1.428 -4.431 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.334 3.653 -3.001 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.816 3.122 -4.588 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.709 4.973 -2.850 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.116 6.222 -4.628 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.498 3.044 -7.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.223 6.330 -7.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.298 3.763 -9.227 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.136 5.386 -9.440 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.582 0.187 -4.526 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.424 -0.696 -4.451 1.00 0.00 C ATOM 1447 C LEU A 89 -4.151 0.148 -4.474 1.00 0.00 C ATOM 1448 O LEU A 89 -4.199 1.324 -4.829 1.00 0.00 O ATOM 1449 CB LEU A 89 -5.440 -1.703 -5.614 1.00 0.00 C ATOM 1450 CG LEU A 89 -4.624 -1.322 -6.863 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -4.818 0.147 -7.230 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -3.149 -1.630 -6.648 1.00 0.00 C ATOM 0 H LEU A 89 -7.029 0.236 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.457 -1.265 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.070 -2.659 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.475 -1.858 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.989 -1.922 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.228 0.382 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.872 0.334 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.493 0.775 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.586 -1.355 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.779 -1.061 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.024 -2.695 -6.454 1.00 0.00 H new ATOM 1464 N ALA A 90 -3.016 -0.436 -4.100 1.00 0.00 N ATOM 1465 CA ALA A 90 -1.760 0.313 -4.100 1.00 0.00 C ATOM 1466 C ALA A 90 -0.601 -0.497 -3.532 1.00 0.00 C ATOM 1467 O ALA A 90 -0.785 -1.595 -3.008 1.00 0.00 O ATOM 1468 CB ALA A 90 -1.918 1.610 -3.319 1.00 0.00 C ATOM 0 H ALA A 90 -2.938 -1.407 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.523 0.538 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.975 2.157 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.695 2.220 -3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.197 1.383 -2.290 1.00 0.00 H new ATOM 1474 N TYR A 91 0.594 0.074 -3.641 1.00 0.00 N ATOM 1475 CA TYR A 91 1.811 -0.555 -3.143 1.00 0.00 C ATOM 1476 C TYR A 91 2.731 0.499 -2.534 1.00 0.00 C ATOM 1477 O TYR A 91 3.944 0.481 -2.744 1.00 0.00 O ATOM 1478 CB TYR A 91 2.535 -1.288 -4.274 1.00 0.00 C ATOM 1479 CG TYR A 91 1.878 -2.588 -4.676 1.00 0.00 C ATOM 1480 CD1 TYR A 91 0.662 -2.594 -5.346 1.00 0.00 C ATOM 1481 CD2 TYR A 91 2.475 -3.808 -4.386 1.00 0.00 C ATOM 1482 CE1 TYR A 91 0.057 -3.781 -5.715 1.00 0.00 C ATOM 1483 CE2 TYR A 91 1.877 -4.999 -4.752 1.00 0.00 C ATOM 1484 CZ TYR A 91 0.669 -4.980 -5.417 1.00 0.00 C ATOM 1485 OH TYR A 91 0.071 -6.164 -5.784 1.00 0.00 O ATOM 0 H TYR A 91 0.746 0.984 -4.076 1.00 0.00 H new ATOM 0 HA TYR A 91 1.539 -1.279 -2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.587 -0.633 -5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.561 -1.490 -3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.181 -1.656 -5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.422 -3.826 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.890 -3.769 -6.234 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.353 -5.940 -4.518 1.00 0.00 H new ATOM 0 HH TYR A 91 0.760 -6.840 -5.954 1.00 0.00 H new ATOM 1495 N ILE A 92 2.131 1.425 -1.789 1.00 0.00 N ATOM 1496 CA ILE A 92 2.868 2.511 -1.145 1.00 0.00 C ATOM 1497 C ILE A 92 4.177 2.028 -0.528 1.00 0.00 C ATOM 1498 O ILE A 92 4.193 1.074 0.249 1.00 0.00 O ATOM 1499 CB ILE A 92 2.020 3.186 -0.048 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.618 3.502 -0.574 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.707 4.449 0.453 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -0.433 2.511 -0.125 1.00 0.00 C ATOM 0 H ILE A 92 1.126 1.444 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 92 3.096 3.233 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 92 1.922 2.496 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.330 4.500 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.644 3.524 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.096 4.913 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.683 4.193 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.835 5.146 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.402 2.797 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.169 1.515 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.487 2.506 0.964 1.00 0.00 H new ATOM 1514 N TYR A 93 5.272 2.701 -0.873 1.00 0.00 N ATOM 1515 CA TYR A 93 6.581 2.342 -0.344 1.00 0.00 C ATOM 1516 C TYR A 93 7.441 3.574 -0.102 1.00 0.00 C ATOM 1517 O TYR A 93 7.265 4.608 -0.746 1.00 0.00 O ATOM 1518 CB TYR A 93 7.311 1.382 -1.285 1.00 0.00 C ATOM 1519 CG TYR A 93 7.247 1.757 -2.746 1.00 0.00 C ATOM 1520 CD1 TYR A 93 7.834 2.927 -3.210 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.615 0.928 -3.664 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.790 3.263 -4.549 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.568 1.256 -5.005 1.00 0.00 C ATOM 1524 CZ TYR A 93 7.156 2.424 -5.442 1.00 0.00 C ATOM 1525 OH TYR A 93 7.109 2.755 -6.777 1.00 0.00 O ATOM 0 H TYR A 93 5.277 3.494 -1.514 1.00 0.00 H new ATOM 0 HA TYR A 93 6.414 1.843 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.357 1.326 -0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.890 0.384 -1.162 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.333 3.584 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.153 0.013 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.249 4.177 -4.895 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.073 0.601 -5.707 1.00 0.00 H new ATOM 0 HH TYR A 93 6.628 2.058 -7.270 1.00 0.00 H new ATOM 1535 N ALA A 94 8.379 3.449 0.833 1.00 0.00 N ATOM 1536 CA ALA A 94 9.281 4.540 1.168 1.00 0.00 C ATOM 1537 C ALA A 94 10.713 4.194 0.777 1.00 0.00 C ATOM 1538 O ALA A 94 11.183 3.083 1.024 1.00 0.00 O ATOM 1539 CB ALA A 94 9.198 4.857 2.653 1.00 0.00 C ATOM 0 H ALA A 94 8.532 2.597 1.373 1.00 0.00 H new ATOM 0 HA ALA A 94 8.977 5.423 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.878 5.675 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.179 5.148 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.477 3.975 3.229 1.00 0.00 H new ATOM 1545 N ASP A 95 11.400 5.148 0.164 1.00 0.00 N ATOM 1546 CA ASP A 95 12.778 4.943 -0.266 1.00 0.00 C ATOM 1547 C ASP A 95 12.879 3.788 -1.259 1.00 0.00 C ATOM 1548 O ASP A 95 13.936 3.178 -1.408 1.00 0.00 O ATOM 1549 CB ASP A 95 13.678 4.675 0.943 1.00 0.00 C ATOM 1550 CG ASP A 95 14.561 5.859 1.282 1.00 0.00 C ATOM 1551 OD1 ASP A 95 14.015 6.929 1.623 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.800 5.717 1.207 1.00 0.00 O ATOM 0 H ASP A 95 11.026 6.073 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 95 13.113 5.852 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.059 4.429 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.303 3.805 0.741 1.00 0.00 H new ATOM 1557 N GLY A 96 11.774 3.494 -1.939 1.00 0.00 N ATOM 1558 CA GLY A 96 11.767 2.415 -2.911 1.00 0.00 C ATOM 1559 C GLY A 96 11.422 1.068 -2.301 1.00 0.00 C ATOM 1560 O GLY A 96 11.157 0.106 -3.024 1.00 0.00 O ATOM 0 H GLY A 96 10.885 3.983 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.048 2.646 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.747 2.353 -3.384 1.00 0.00 H new ATOM 1564 N LYS A 97 11.422 0.992 -0.974 1.00 0.00 N ATOM 1565 CA LYS A 97 11.105 -0.254 -0.284 1.00 0.00 C ATOM 1566 C LYS A 97 9.728 -0.182 0.369 1.00 0.00 C ATOM 1567 O LYS A 97 9.429 0.751 1.115 1.00 0.00 O ATOM 1568 CB LYS A 97 12.172 -0.572 0.769 1.00 0.00 C ATOM 1569 CG LYS A 97 12.488 0.590 1.697 1.00 0.00 C ATOM 1570 CD LYS A 97 13.666 0.272 2.607 1.00 0.00 C ATOM 1571 CE LYS A 97 13.338 0.552 4.065 1.00 0.00 C ATOM 1572 NZ LYS A 97 12.768 -0.642 4.748 1.00 0.00 N ATOM 0 H LYS A 97 11.637 1.775 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 97 11.092 -1.054 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.838 -1.420 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.087 -0.879 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.712 1.478 1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.612 0.823 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.944 -0.775 2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.529 0.866 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.241 0.870 4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.628 1.377 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.105 -0.335 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.265 -1.231 4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.536 -1.195 5.179 1.00 0.00 H new ATOM 1586 N MET A 98 8.893 -1.174 0.076 1.00 0.00 N ATOM 1587 CA MET A 98 7.542 -1.231 0.624 1.00 0.00 C ATOM 1588 C MET A 98 7.565 -1.568 2.109 1.00 0.00 C ATOM 1589 O MET A 98 8.462 -2.260 2.586 1.00 0.00 O ATOM 1590 CB MET A 98 6.702 -2.262 -0.136 1.00 0.00 C ATOM 1591 CG MET A 98 6.884 -2.208 -1.648 1.00 0.00 C ATOM 1592 SD MET A 98 7.980 -3.499 -2.270 1.00 0.00 S ATOM 1593 CE MET A 98 8.020 -3.096 -4.015 1.00 0.00 C ATOM 0 H MET A 98 9.129 -1.952 -0.540 1.00 0.00 H new ATOM 0 HA MET A 98 7.090 -0.246 0.505 1.00 0.00 H new ATOM 0 HB2 MET A 98 6.962 -3.260 0.217 1.00 0.00 H new ATOM 0 HB3 MET A 98 5.650 -2.105 0.100 1.00 0.00 H new ATOM 0 HG2 MET A 98 5.911 -2.302 -2.130 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.285 -1.233 -1.926 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.659 -3.807 -4.538 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.011 -3.147 -4.423 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.414 -2.088 -4.147 1.00 0.00 H new ATOM 1603 N VAL A 99 6.568 -1.072 2.836 1.00 0.00 N ATOM 1604 CA VAL A 99 6.469 -1.318 4.270 1.00 0.00 C ATOM 1605 C VAL A 99 6.394 -2.811 4.567 1.00 0.00 C ATOM 1606 O VAL A 99 6.966 -3.290 5.547 1.00 0.00 O ATOM 1607 CB VAL A 99 5.239 -0.620 4.876 1.00 0.00 C ATOM 1608 CG1 VAL A 99 5.454 0.885 4.935 1.00 0.00 C ATOM 1609 CG2 VAL A 99 3.986 -0.959 4.080 1.00 0.00 C ATOM 0 H VAL A 99 5.817 -0.497 2.455 1.00 0.00 H new ATOM 0 HA VAL A 99 7.370 -0.906 4.725 1.00 0.00 H new ATOM 0 HB VAL A 99 5.102 -0.983 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.574 1.362 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.325 1.104 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.618 1.269 3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.126 -0.457 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.109 -0.627 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.825 -2.037 4.097 1.00 0.00 H new ATOM 1619 N ASN A 100 5.687 -3.545 3.713 1.00 0.00 N ATOM 1620 CA ASN A 100 5.543 -4.985 3.883 1.00 0.00 C ATOM 1621 C ASN A 100 6.828 -5.700 3.480 1.00 0.00 C ATOM 1622 O ASN A 100 7.348 -6.533 4.221 1.00 0.00 O ATOM 1623 CB ASN A 100 4.371 -5.503 3.049 1.00 0.00 C ATOM 1624 CG ASN A 100 3.030 -5.217 3.694 1.00 0.00 C ATOM 1625 OD1 ASN A 100 2.320 -6.132 4.111 1.00 0.00 O ATOM 1626 ND2 ASN A 100 2.674 -3.940 3.777 1.00 0.00 N ATOM 0 H ASN A 100 5.206 -3.166 2.897 1.00 0.00 H new ATOM 0 HA ASN A 100 5.344 -5.190 4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.401 -5.044 2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.479 -6.578 2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.781 -3.686 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.294 -3.213 3.418 1.00 0.00 H new ATOM 1633 N GLU A 101 7.338 -5.357 2.302 1.00 0.00 N ATOM 1634 CA GLU A 101 8.569 -5.951 1.791 1.00 0.00 C ATOM 1635 C GLU A 101 9.794 -5.406 2.527 1.00 0.00 C ATOM 1636 O GLU A 101 10.911 -5.886 2.333 1.00 0.00 O ATOM 1637 CB GLU A 101 8.700 -5.679 0.290 1.00 0.00 C ATOM 1638 CG GLU A 101 8.160 -6.802 -0.580 1.00 0.00 C ATOM 1639 CD GLU A 101 9.239 -7.470 -1.409 1.00 0.00 C ATOM 1640 OE1 GLU A 101 9.966 -8.326 -0.862 1.00 0.00 O ATOM 1641 OE2 GLU A 101 9.358 -7.136 -2.607 1.00 0.00 O ATOM 0 H GLU A 101 6.916 -4.667 1.680 1.00 0.00 H new ATOM 0 HA GLU A 101 8.520 -7.027 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.171 -4.757 0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.750 -5.516 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.680 -7.548 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.392 -6.405 -1.243 1.00 0.00 H new ATOM 1648 N ALA A 102 9.579 -4.387 3.354 1.00 0.00 N ATOM 1649 CA ALA A 102 10.660 -3.755 4.101 1.00 0.00 C ATOM 1650 C ALA A 102 11.398 -4.732 5.015 1.00 0.00 C ATOM 1651 O ALA A 102 12.626 -4.708 5.081 1.00 0.00 O ATOM 1652 CB ALA A 102 10.121 -2.586 4.910 1.00 0.00 C ATOM 0 H ALA A 102 8.659 -3.980 3.524 1.00 0.00 H new ATOM 0 HA ALA A 102 11.385 -3.396 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.936 -2.121 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.675 -1.853 4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.365 -2.945 5.609 1.00 0.00 H new ATOM 1658 N LEU A 103 10.662 -5.577 5.738 1.00 0.00 N ATOM 1659 CA LEU A 103 11.304 -6.523 6.650 1.00 0.00 C ATOM 1660 C LEU A 103 10.909 -7.975 6.382 1.00 0.00 C ATOM 1661 O LEU A 103 11.235 -8.858 7.171 1.00 0.00 O ATOM 1662 CB LEU A 103 11.026 -6.164 8.117 1.00 0.00 C ATOM 1663 CG LEU A 103 9.617 -5.663 8.441 1.00 0.00 C ATOM 1664 CD1 LEU A 103 9.441 -5.536 9.948 1.00 0.00 C ATOM 1665 CD2 LEU A 103 9.340 -4.328 7.762 1.00 0.00 C ATOM 0 H LEU A 103 9.644 -5.626 5.712 1.00 0.00 H new ATOM 0 HA LEU A 103 12.374 -6.439 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.224 -7.045 8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.739 -5.398 8.422 1.00 0.00 H new ATOM 0 HG LEU A 103 8.900 -6.390 8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.435 -5.179 10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.591 -6.509 10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.171 -4.829 10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.332 -3.996 8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.061 -3.587 8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.429 -4.444 6.682 1.00 0.00 H new ATOM 1677 N VAL A 104 10.246 -8.243 5.261 1.00 0.00 N ATOM 1678 CA VAL A 104 9.876 -9.620 4.928 1.00 0.00 C ATOM 1679 C VAL A 104 11.108 -10.526 4.928 1.00 0.00 C ATOM 1680 O VAL A 104 10.992 -11.751 4.909 1.00 0.00 O ATOM 1681 CB VAL A 104 9.178 -9.718 3.557 1.00 0.00 C ATOM 1682 CG1 VAL A 104 7.764 -9.164 3.637 1.00 0.00 C ATOM 1683 CG2 VAL A 104 9.988 -9.004 2.484 1.00 0.00 C ATOM 0 H VAL A 104 9.957 -7.542 4.578 1.00 0.00 H new ATOM 0 HA VAL A 104 9.175 -9.949 5.695 1.00 0.00 H new ATOM 0 HB VAL A 104 9.113 -10.770 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.287 -9.242 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.190 -9.735 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.800 -8.118 3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.475 -9.087 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.095 -7.952 2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 104 10.975 -9.461 2.408 1.00 0.00 H new ATOM 1693 N ARG A 105 12.286 -9.907 4.945 1.00 0.00 N ATOM 1694 CA ARG A 105 13.545 -10.634 4.946 1.00 0.00 C ATOM 1695 C ARG A 105 13.906 -11.131 6.348 1.00 0.00 C ATOM 1696 O ARG A 105 14.295 -12.285 6.520 1.00 0.00 O ATOM 1697 CB ARG A 105 14.665 -9.731 4.416 1.00 0.00 C ATOM 1698 CG ARG A 105 14.207 -8.660 3.430 1.00 0.00 C ATOM 1699 CD ARG A 105 13.237 -9.203 2.389 1.00 0.00 C ATOM 1700 NE ARG A 105 13.865 -9.348 1.077 1.00 0.00 N ATOM 1701 CZ ARG A 105 14.597 -10.401 0.717 1.00 0.00 C ATOM 1702 NH1 ARG A 105 14.801 -11.399 1.567 1.00 0.00 N ATOM 1703 NH2 ARG A 105 15.128 -10.453 -0.497 1.00 0.00 N ATOM 0 H ARG A 105 12.391 -8.892 4.958 1.00 0.00 H new ATOM 0 HA ARG A 105 13.431 -11.503 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 105 15.151 -9.244 5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 105 15.417 -10.354 3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.730 -7.847 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 105 15.077 -8.238 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.857 -10.170 2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 105 12.380 -8.534 2.309 1.00 0.00 H new ATOM 0 HE ARG A 105 13.735 -8.599 0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 105 14.396 -11.363 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 105 15.363 -12.202 1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 105 14.976 -9.687 -1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 105 15.689 -11.259 -0.774 1.00 0.00 H new ATOM 1717 N GLN A 106 13.785 -10.254 7.345 1.00 0.00 N ATOM 1718 CA GLN A 106 14.114 -10.619 8.724 1.00 0.00 C ATOM 1719 C GLN A 106 13.092 -11.587 9.310 1.00 0.00 C ATOM 1720 O GLN A 106 13.334 -12.202 10.347 1.00 0.00 O ATOM 1721 CB GLN A 106 14.228 -9.374 9.611 1.00 0.00 C ATOM 1722 CG GLN A 106 12.994 -8.485 9.604 1.00 0.00 C ATOM 1723 CD GLN A 106 11.803 -9.111 10.311 1.00 0.00 C ATOM 1724 OE1 GLN A 106 11.876 -9.461 11.488 1.00 0.00 O ATOM 1725 NE2 GLN A 106 10.697 -9.252 9.587 1.00 0.00 N ATOM 0 H GLN A 106 13.464 -9.293 7.226 1.00 0.00 H new ATOM 0 HA GLN A 106 15.081 -11.122 8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 106 14.429 -9.689 10.635 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.086 -8.787 9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 106 13.235 -7.536 10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.720 -8.262 8.573 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.682 -8.947 8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.863 -9.665 10.005 1.00 0.00 H new ATOM 1734 N GLY A 107 11.952 -11.729 8.641 1.00 0.00 N ATOM 1735 CA GLY A 107 10.926 -12.638 9.123 1.00 0.00 C ATOM 1736 C GLY A 107 9.553 -12.000 9.204 1.00 0.00 C ATOM 1737 O GLY A 107 8.764 -12.322 10.093 1.00 0.00 O ATOM 0 H GLY A 107 11.720 -11.235 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.879 -13.505 8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.208 -13.004 10.110 1.00 0.00 H new ATOM 1741 N LEU A 108 9.261 -11.106 8.266 1.00 0.00 N ATOM 1742 CA LEU A 108 7.967 -10.438 8.227 1.00 0.00 C ATOM 1743 C LEU A 108 6.994 -11.238 7.366 1.00 0.00 C ATOM 1744 O LEU A 108 7.388 -12.185 6.687 1.00 0.00 O ATOM 1745 CB LEU A 108 8.120 -9.021 7.672 1.00 0.00 C ATOM 1746 CG LEU A 108 7.019 -8.037 8.054 1.00 0.00 C ATOM 1747 CD1 LEU A 108 7.231 -7.507 9.465 1.00 0.00 C ATOM 1748 CD2 LEU A 108 6.970 -6.898 7.042 1.00 0.00 C ATOM 0 H LEU A 108 9.903 -10.828 7.523 1.00 0.00 H new ATOM 0 HA LEU A 108 7.572 -10.374 9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.075 -8.619 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.168 -9.080 6.585 1.00 0.00 H new ATOM 0 HG LEU A 108 6.061 -8.557 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.433 -6.807 9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.219 -8.337 10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.192 -6.996 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.182 -6.198 7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 108 7.929 -6.379 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.764 -7.301 6.050 1.00 0.00 H new ATOM 1760 N ALA A 109 5.722 -10.856 7.399 1.00 0.00 N ATOM 1761 CA ALA A 109 4.698 -11.546 6.620 1.00 0.00 C ATOM 1762 C ALA A 109 5.100 -11.660 5.153 1.00 0.00 C ATOM 1763 O ALA A 109 5.186 -10.658 4.443 1.00 0.00 O ATOM 1764 CB ALA A 109 3.368 -10.824 6.743 1.00 0.00 C ATOM 0 H ALA A 109 5.375 -10.074 7.955 1.00 0.00 H new ATOM 0 HA ALA A 109 4.595 -12.554 7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.613 -11.349 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.063 -10.799 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.472 -9.805 6.371 1.00 0.00 H new ATOM 1770 N LYS A 110 5.344 -12.887 4.706 1.00 0.00 N ATOM 1771 CA LYS A 110 5.736 -13.132 3.323 1.00 0.00 C ATOM 1772 C LYS A 110 5.281 -14.514 2.864 1.00 0.00 C ATOM 1773 O LYS A 110 5.091 -15.391 3.732 1.00 0.00 O ATOM 1774 CB LYS A 110 7.252 -13.006 3.174 1.00 0.00 C ATOM 1775 CG LYS A 110 8.033 -13.879 4.144 1.00 0.00 C ATOM 1776 CD LYS A 110 8.296 -15.259 3.563 1.00 0.00 C ATOM 1777 CE LYS A 110 9.729 -15.705 3.810 1.00 0.00 C ATOM 1778 NZ LYS A 110 10.683 -15.042 2.879 1.00 0.00 N ATOM 1779 OXT LYS A 110 5.119 -14.706 1.640 1.00 0.00 O ATOM 0 H LYS A 110 5.277 -13.727 5.281 1.00 0.00 H new ATOM 0 HA LYS A 110 5.251 -12.384 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.532 -13.270 2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.538 -11.965 3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.981 -13.398 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.477 -13.976 5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.608 -15.979 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.097 -15.247 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.008 -15.478 4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.798 -16.786 3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.649 -15.372 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.432 -15.279 1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.635 -14.011 3.009 1.00 0.00 H new TER 1793 LYS A 110