USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 709 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 63 THR OG1 : rot 105:sc= -1.14 USER MOD Set 1.2: A 101 TYR OH : rot -45:sc= 0.0284 USER MOD Set 2.1: A 81 LYS NZ :NH3+ -177:sc= 0.111 (180deg=0.26) USER MOD Set 2.2: A 89 MET CE :methyl -162:sc= -7.01! (180deg=-7.45!) USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 98 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 18 THR OG1 : rot -15:sc= 0.51 USER MOD Single : A 22 LYS NZ :NH3+ -129:sc= 1.01 (180deg=-0.358) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= -5.84! (180deg=-6.27!) USER MOD Single : A 30 GLN : amide:sc= -3.14 K(o=-3.1,f=-3.9!) USER MOD Single : A 31 ASN : amide:sc= -4.2 K(o=-4.2,f=-5.3!) USER MOD Single : A 36 SER OG : rot 180:sc= -2.11 USER MOD Single : A 42 GLN : amide:sc= -0.0383 K(o=-0.038,f=-1.2) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -108:sc= 0.0104 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0419 USER MOD Single : A 51 GLN : amide:sc= -0.521 K(o=-0.52,f=-2.3) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.238 F(o=-1.2,f=-0.24) USER MOD Single : A 56 THR OG1 : rot -97:sc= 1.22 USER MOD Single : A 71 THR OG1 : rot -55:sc= 0.626 USER MOD Single : A 74 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.0082) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 83 LYS NZ :NH3+ -125:sc=-0.00267 (180deg=-1.45!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.665 F(o=-2.4!,f=-0.66) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -2.01 K(o=-2,f=-2.9!) USER MOD Single : A 102 ASN : amide:sc= -0.733 K(o=-0.73,f=-3.7!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 147:sc= -0.343 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 18 -0.485 -8.347 -9.610 1.00 0.00 N ATOM 2 CA THR A 18 -0.043 -7.270 -8.734 1.00 0.00 C ATOM 3 C THR A 18 -0.172 -5.919 -9.428 1.00 0.00 C ATOM 4 O THR A 18 0.212 -5.765 -10.587 1.00 0.00 O ATOM 5 CB THR A 18 1.405 -7.498 -8.301 1.00 0.00 C ATOM 6 OG1 THR A 18 2.145 -8.125 -9.332 1.00 0.00 O ATOM 7 CG2 THR A 18 1.531 -8.354 -7.058 1.00 0.00 C ATOM 0 HA THR A 18 -0.682 -7.268 -7.851 1.00 0.00 H new ATOM 0 HB THR A 18 1.799 -6.506 -8.081 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.529 -8.495 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.584 -8.476 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.013 -7.871 -6.229 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.086 -9.332 -7.243 1.00 0.00 H new ATOM 15 N VAL A 19 -0.717 -4.940 -8.712 1.00 0.00 N ATOM 16 CA VAL A 19 -0.897 -3.601 -9.261 1.00 0.00 C ATOM 17 C VAL A 19 0.178 -2.647 -8.747 1.00 0.00 C ATOM 18 O VAL A 19 0.042 -2.071 -7.668 1.00 0.00 O ATOM 19 CB VAL A 19 -2.283 -3.030 -8.905 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.529 -1.724 -9.645 1.00 0.00 C ATOM 21 CG2 VAL A 19 -3.378 -4.042 -9.214 1.00 0.00 C ATOM 0 H VAL A 19 -1.041 -5.049 -7.751 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.815 -3.690 -10.344 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.305 -2.825 -7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.513 -1.336 -9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.765 -0.998 -9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.485 -1.901 -10.720 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.348 -3.618 -8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.360 -4.285 -10.276 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.211 -4.948 -8.632 1.00 0.00 H new ATOM 31 N PRO A 20 1.268 -2.465 -9.514 1.00 0.00 N ATOM 32 CA PRO A 20 2.366 -1.575 -9.125 1.00 0.00 C ATOM 33 C PRO A 20 1.955 -0.106 -9.151 1.00 0.00 C ATOM 34 O PRO A 20 1.928 0.523 -10.209 1.00 0.00 O ATOM 35 CB PRO A 20 3.442 -1.848 -10.179 1.00 0.00 C ATOM 36 CG PRO A 20 2.691 -2.350 -11.364 1.00 0.00 C ATOM 37 CD PRO A 20 1.516 -3.112 -10.817 1.00 0.00 C ATOM 0 HA PRO A 20 2.698 -1.762 -8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.001 -0.943 -10.418 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.164 -2.585 -9.826 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.361 -1.525 -11.995 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.320 -2.992 -11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.649 -3.040 -11.473 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.742 -4.172 -10.703 1.00 0.00 H new ATOM 45 N GLY A 21 1.637 0.434 -7.978 1.00 0.00 N ATOM 46 CA GLY A 21 1.232 1.826 -7.888 1.00 0.00 C ATOM 47 C GLY A 21 2.104 2.622 -6.937 1.00 0.00 C ATOM 48 O GLY A 21 2.452 2.148 -5.856 1.00 0.00 O ATOM 0 H GLY A 21 1.652 -0.067 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.273 2.278 -8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.195 1.879 -7.556 1.00 0.00 H new ATOM 52 N LYS A 22 2.456 3.839 -7.340 1.00 0.00 N ATOM 53 CA LYS A 22 3.291 4.705 -6.516 1.00 0.00 C ATOM 54 C LYS A 22 2.492 5.895 -5.992 1.00 0.00 C ATOM 55 O LYS A 22 2.229 6.849 -6.723 1.00 0.00 O ATOM 56 CB LYS A 22 4.496 5.200 -7.319 1.00 0.00 C ATOM 57 CG LYS A 22 4.121 5.848 -8.642 1.00 0.00 C ATOM 58 CD LYS A 22 4.753 7.222 -8.792 1.00 0.00 C ATOM 59 CE LYS A 22 3.916 8.127 -9.681 1.00 0.00 C ATOM 60 NZ LYS A 22 2.626 8.497 -9.038 1.00 0.00 N ATOM 0 H LYS A 22 2.176 4.247 -8.232 1.00 0.00 H new ATOM 0 HA LYS A 22 3.643 4.124 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.053 5.918 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.164 4.360 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.441 5.208 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.037 5.936 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.867 7.680 -7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.753 7.120 -9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.479 9.031 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.719 7.624 -10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.843 8.306 -9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.496 7.936 -8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.636 9.509 -8.796 1.00 0.00 H new ATOM 74 N VAL A 23 2.109 5.830 -4.721 1.00 0.00 N ATOM 75 CA VAL A 23 1.339 6.902 -4.099 1.00 0.00 C ATOM 76 C VAL A 23 2.260 7.959 -3.498 1.00 0.00 C ATOM 77 O VAL A 23 3.390 7.665 -3.111 1.00 0.00 O ATOM 78 CB VAL A 23 0.403 6.358 -3.001 1.00 0.00 C ATOM 79 CG1 VAL A 23 1.204 5.698 -1.889 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.477 7.468 -2.449 1.00 0.00 C ATOM 0 H VAL A 23 2.319 5.047 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 23 0.734 7.357 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.243 5.602 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.524 5.321 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.783 4.871 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.880 6.429 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.130 7.064 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.150 8.251 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.082 7.886 -3.253 1.00 0.00 H new ATOM 90 N THR A 24 1.767 9.192 -3.421 1.00 0.00 N ATOM 91 CA THR A 24 2.545 10.294 -2.866 1.00 0.00 C ATOM 92 C THR A 24 1.855 10.885 -1.641 1.00 0.00 C ATOM 93 O THR A 24 0.901 11.654 -1.764 1.00 0.00 O ATOM 94 CB THR A 24 2.752 11.381 -3.923 1.00 0.00 C ATOM 95 OG1 THR A 24 3.099 10.808 -5.169 1.00 0.00 O ATOM 96 CG2 THR A 24 3.833 12.374 -3.557 1.00 0.00 C ATOM 0 H THR A 24 0.832 9.452 -3.736 1.00 0.00 H new ATOM 0 HA THR A 24 3.516 9.903 -2.560 1.00 0.00 H new ATOM 0 HB THR A 24 1.801 11.910 -3.983 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.226 11.519 -5.832 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.928 13.117 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.570 12.871 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.781 11.851 -3.435 1.00 0.00 H new ATOM 104 N LEU A 25 2.346 10.523 -0.461 1.00 0.00 N ATOM 105 CA LEU A 25 1.778 11.019 0.788 1.00 0.00 C ATOM 106 C LEU A 25 2.724 12.011 1.460 1.00 0.00 C ATOM 107 O LEU A 25 3.938 11.805 1.485 1.00 0.00 O ATOM 108 CB LEU A 25 1.486 9.855 1.736 1.00 0.00 C ATOM 109 CG LEU A 25 0.817 8.640 1.083 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.556 7.361 1.446 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.645 8.549 1.495 1.00 0.00 C ATOM 0 H LEU A 25 3.136 9.888 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 25 0.846 11.533 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.422 9.534 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.846 10.214 2.542 1.00 0.00 H new ATOM 0 HG LEU A 25 0.862 8.765 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.065 6.510 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.587 7.425 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.546 7.230 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.103 7.681 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.712 8.449 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.169 9.452 1.181 1.00 0.00 H new ATOM 123 N GLN A 26 2.161 13.085 2.001 1.00 0.00 N ATOM 124 CA GLN A 26 2.954 14.107 2.673 1.00 0.00 C ATOM 125 C GLN A 26 3.172 13.750 4.140 1.00 0.00 C ATOM 126 O GLN A 26 2.304 13.159 4.779 1.00 0.00 O ATOM 127 CB GLN A 26 2.268 15.470 2.566 1.00 0.00 C ATOM 128 CG GLN A 26 2.208 16.011 1.145 1.00 0.00 C ATOM 129 CD GLN A 26 0.787 16.165 0.639 1.00 0.00 C ATOM 130 OE1 GLN A 26 0.171 17.219 0.792 1.00 0.00 O ATOM 131 NE2 GLN A 26 0.258 15.110 0.030 1.00 0.00 N ATOM 0 H GLN A 26 1.158 13.271 1.987 1.00 0.00 H new ATOM 0 HA GLN A 26 3.925 14.157 2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.254 15.389 2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.798 16.185 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.710 16.978 1.107 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.755 15.341 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.804 14.255 -0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.694 15.155 -0.332 1.00 0.00 H new ATOM 140 N LYS A 27 4.338 14.113 4.665 1.00 0.00 N ATOM 141 CA LYS A 27 4.670 13.831 6.057 1.00 0.00 C ATOM 142 C LYS A 27 3.671 14.494 6.999 1.00 0.00 C ATOM 143 O LYS A 27 3.101 15.538 6.682 1.00 0.00 O ATOM 144 CB LYS A 27 6.087 14.316 6.374 1.00 0.00 C ATOM 145 CG LYS A 27 7.174 13.490 5.705 1.00 0.00 C ATOM 146 CD LYS A 27 7.723 12.428 6.645 1.00 0.00 C ATOM 147 CE LYS A 27 7.906 11.096 5.934 1.00 0.00 C ATOM 148 NZ LYS A 27 6.610 10.390 5.732 1.00 0.00 N ATOM 0 H LYS A 27 5.068 14.603 4.148 1.00 0.00 H new ATOM 0 HA LYS A 27 4.621 12.752 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.186 15.355 6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.237 14.294 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.772 13.014 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.983 14.145 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.679 12.759 7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.045 12.301 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.383 11.263 4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.577 10.464 6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.667 9.796 4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.408 9.791 6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.848 11.089 5.617 1.00 0.00 H new ATOM 162 N ASP A 28 3.464 13.882 8.161 1.00 0.00 N ATOM 163 CA ASP A 28 2.534 14.411 9.150 1.00 0.00 C ATOM 164 C ASP A 28 3.207 15.468 10.022 1.00 0.00 C ATOM 165 O ASP A 28 4.309 15.925 9.719 1.00 0.00 O ATOM 166 CB ASP A 28 1.989 13.282 10.027 1.00 0.00 C ATOM 167 CG ASP A 28 0.513 13.444 10.334 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.068 14.476 9.935 1.00 0.00 O ATOM 169 OD2 ASP A 28 -0.063 12.540 10.976 1.00 0.00 O ATOM 0 H ASP A 28 3.929 13.018 8.440 1.00 0.00 H new ATOM 0 HA ASP A 28 1.706 14.879 8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.150 12.328 9.526 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.549 13.250 10.961 1.00 0.00 H new ATOM 174 N ALA A 29 2.537 15.849 11.104 1.00 0.00 N ATOM 175 CA ALA A 29 3.070 16.851 12.019 1.00 0.00 C ATOM 176 C ALA A 29 4.328 16.343 12.715 1.00 0.00 C ATOM 177 O ALA A 29 5.227 17.121 13.040 1.00 0.00 O ATOM 178 CB ALA A 29 2.017 17.240 13.046 1.00 0.00 C ATOM 0 H ALA A 29 1.624 15.479 11.369 1.00 0.00 H new ATOM 0 HA ALA A 29 3.338 17.733 11.438 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.428 17.989 13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.146 17.651 12.536 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.722 16.359 13.616 1.00 0.00 H new ATOM 184 N GLN A 30 4.386 15.035 12.943 1.00 0.00 N ATOM 185 CA GLN A 30 5.536 14.423 13.601 1.00 0.00 C ATOM 186 C GLN A 30 6.374 13.634 12.599 1.00 0.00 C ATOM 187 O GLN A 30 6.948 12.597 12.935 1.00 0.00 O ATOM 188 CB GLN A 30 5.089 13.503 14.749 1.00 0.00 C ATOM 189 CG GLN A 30 3.580 13.420 14.936 1.00 0.00 C ATOM 190 CD GLN A 30 2.923 12.460 13.966 1.00 0.00 C ATOM 191 OE1 GLN A 30 3.286 11.285 13.894 1.00 0.00 O ATOM 192 NE2 GLN A 30 1.948 12.953 13.212 1.00 0.00 N ATOM 0 H GLN A 30 3.651 14.378 12.682 1.00 0.00 H new ATOM 0 HA GLN A 30 6.146 15.225 14.017 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.476 12.500 14.567 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.539 13.855 15.677 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.361 13.106 15.956 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.147 14.412 14.808 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.678 13.932 13.303 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.469 12.352 12.541 1.00 0.00 H new ATOM 201 N ASN A 31 6.439 14.135 11.366 1.00 0.00 N ATOM 202 CA ASN A 31 7.206 13.485 10.303 1.00 0.00 C ATOM 203 C ASN A 31 6.972 11.975 10.290 1.00 0.00 C ATOM 204 O ASN A 31 7.916 11.189 10.217 1.00 0.00 O ATOM 205 CB ASN A 31 8.699 13.787 10.461 1.00 0.00 C ATOM 206 CG ASN A 31 9.284 13.194 11.727 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.144 13.759 12.812 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.944 12.050 11.596 1.00 0.00 N ATOM 0 H ASN A 31 5.968 14.992 11.077 1.00 0.00 H new ATOM 0 HA ASN A 31 6.861 13.887 9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.238 13.396 9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.849 14.867 10.467 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.359 11.604 12.414 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.036 11.616 10.677 1.00 0.00 H new ATOM 215 N LEU A 32 5.705 11.579 10.362 1.00 0.00 N ATOM 216 CA LEU A 32 5.343 10.166 10.359 1.00 0.00 C ATOM 217 C LEU A 32 4.037 9.942 9.604 1.00 0.00 C ATOM 218 O LEU A 32 2.957 10.246 10.110 1.00 0.00 O ATOM 219 CB LEU A 32 5.211 9.649 11.793 1.00 0.00 C ATOM 220 CG LEU A 32 6.530 9.502 12.554 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.296 9.612 14.053 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.196 8.178 12.212 1.00 0.00 C ATOM 0 H LEU A 32 4.912 12.217 10.423 1.00 0.00 H new ATOM 0 HA LEU A 32 6.135 9.614 9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.562 10.326 12.349 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.713 8.679 11.769 1.00 0.00 H new ATOM 0 HG LEU A 32 7.196 10.310 12.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.245 9.505 14.578 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.862 10.585 14.283 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.613 8.825 14.373 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.133 8.089 12.762 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.535 7.356 12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.398 8.138 11.142 1.00 0.00 H new ATOM 234 N ILE A 33 4.143 9.412 8.389 1.00 0.00 N ATOM 235 CA ILE A 33 2.968 9.151 7.564 1.00 0.00 C ATOM 236 C ILE A 33 1.984 8.231 8.282 1.00 0.00 C ATOM 237 O ILE A 33 0.774 8.322 8.078 1.00 0.00 O ATOM 238 CB ILE A 33 3.351 8.524 6.210 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.368 7.396 6.405 1.00 0.00 C ATOM 240 CG2 ILE A 33 3.905 9.587 5.271 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.602 6.573 5.158 1.00 0.00 C ATOM 0 H ILE A 33 5.029 9.155 7.954 1.00 0.00 H new ATOM 0 HA ILE A 33 2.493 10.115 7.382 1.00 0.00 H new ATOM 0 HB ILE A 33 2.453 8.099 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.316 7.824 6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.023 6.740 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.171 9.128 4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.150 10.355 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.791 10.039 5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.333 5.793 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.664 6.116 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.977 7.217 4.362 1.00 0.00 H new ATOM 253 N GLY A 34 2.511 7.350 9.126 1.00 0.00 N ATOM 254 CA GLY A 34 1.663 6.431 9.865 1.00 0.00 C ATOM 255 C GLY A 34 1.462 5.110 9.146 1.00 0.00 C ATOM 256 O GLY A 34 0.391 4.852 8.598 1.00 0.00 O ATOM 0 H GLY A 34 3.509 7.256 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.105 6.243 10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.693 6.897 10.037 1.00 0.00 H new ATOM 260 N ILE A 35 2.493 4.271 9.155 1.00 0.00 N ATOM 261 CA ILE A 35 2.423 2.967 8.505 1.00 0.00 C ATOM 262 C ILE A 35 3.446 2.005 9.099 1.00 0.00 C ATOM 263 O ILE A 35 4.556 2.404 9.452 1.00 0.00 O ATOM 264 CB ILE A 35 2.663 3.077 6.987 1.00 0.00 C ATOM 265 CG1 ILE A 35 4.022 3.721 6.707 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.547 3.873 6.328 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.589 3.371 5.348 1.00 0.00 C ATOM 0 H ILE A 35 3.386 4.471 9.605 1.00 0.00 H new ATOM 0 HA ILE A 35 1.418 2.583 8.677 1.00 0.00 H new ATOM 0 HB ILE A 35 2.664 2.073 6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.924 4.804 6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.728 3.410 7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.733 3.941 5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.593 3.374 6.500 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.514 4.875 6.755 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.553 3.862 5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.719 2.291 5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.903 3.707 4.570 1.00 0.00 H new ATOM 279 N SER A 36 3.064 0.737 9.206 1.00 0.00 N ATOM 280 CA SER A 36 3.951 -0.283 9.757 1.00 0.00 C ATOM 281 C SER A 36 4.415 -1.244 8.668 1.00 0.00 C ATOM 282 O SER A 36 3.690 -1.506 7.708 1.00 0.00 O ATOM 283 CB SER A 36 3.242 -1.054 10.872 1.00 0.00 C ATOM 284 OG SER A 36 3.896 -2.282 11.141 1.00 0.00 O ATOM 0 H SER A 36 2.148 0.391 8.919 1.00 0.00 H new ATOM 0 HA SER A 36 4.827 0.215 10.172 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.215 -0.447 11.777 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.208 -1.245 10.585 1.00 0.00 H new ATOM 0 HG SER A 36 3.424 -2.754 11.858 1.00 0.00 H new ATOM 290 N ILE A 37 5.627 -1.766 8.824 1.00 0.00 N ATOM 291 CA ILE A 37 6.187 -2.698 7.852 1.00 0.00 C ATOM 292 C ILE A 37 6.971 -3.807 8.543 1.00 0.00 C ATOM 293 O ILE A 37 7.184 -3.770 9.754 1.00 0.00 O ATOM 294 CB ILE A 37 7.111 -1.978 6.851 1.00 0.00 C ATOM 295 CG1 ILE A 37 8.107 -1.083 7.594 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.290 -1.163 5.864 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.471 -1.026 6.941 1.00 0.00 C ATOM 0 H ILE A 37 6.240 -1.560 9.613 1.00 0.00 H new ATOM 0 HA ILE A 37 5.347 -3.134 7.311 1.00 0.00 H new ATOM 0 HB ILE A 37 7.672 -2.728 6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.700 -0.074 7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.217 -1.446 8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.957 -0.660 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.619 -1.824 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.704 -0.419 6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.125 -0.374 7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.898 -2.028 6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.374 -0.635 5.928 1.00 0.00 H new ATOM 309 N GLY A 38 7.398 -4.795 7.764 1.00 0.00 N ATOM 310 CA GLY A 38 8.154 -5.903 8.316 1.00 0.00 C ATOM 311 C GLY A 38 8.975 -6.625 7.268 1.00 0.00 C ATOM 312 O GLY A 38 8.463 -6.981 6.205 1.00 0.00 O ATOM 0 H GLY A 38 7.234 -4.848 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.815 -5.533 9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.468 -6.609 8.785 1.00 0.00 H new ATOM 316 N GLY A 39 10.251 -6.842 7.564 1.00 0.00 N ATOM 317 CA GLY A 39 11.125 -7.525 6.630 1.00 0.00 C ATOM 318 C GLY A 39 12.464 -7.886 7.243 1.00 0.00 C ATOM 319 O GLY A 39 12.824 -7.378 8.305 1.00 0.00 O ATOM 0 H GLY A 39 10.696 -6.556 8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.635 -8.432 6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.287 -6.890 5.759 1.00 0.00 H new ATOM 323 N GLY A 40 13.201 -8.765 6.573 1.00 0.00 N ATOM 324 CA GLY A 40 14.498 -9.178 7.073 1.00 0.00 C ATOM 325 C GLY A 40 15.644 -8.498 6.350 1.00 0.00 C ATOM 326 O GLY A 40 15.706 -7.270 6.289 1.00 0.00 O ATOM 0 H GLY A 40 12.923 -9.199 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.561 -8.954 8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.597 -10.258 6.968 1.00 0.00 H new ATOM 330 N ALA A 41 16.553 -9.296 5.800 1.00 0.00 N ATOM 331 CA ALA A 41 17.699 -8.763 5.076 1.00 0.00 C ATOM 332 C ALA A 41 18.313 -9.818 4.163 1.00 0.00 C ATOM 333 O ALA A 41 18.299 -9.680 2.939 1.00 0.00 O ATOM 334 CB ALA A 41 18.741 -8.238 6.054 1.00 0.00 C ATOM 0 H ALA A 41 16.517 -10.314 5.842 1.00 0.00 H new ATOM 0 HA ALA A 41 17.352 -7.939 4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 41 19.593 -7.842 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 41 18.303 -7.446 6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 41 19.074 -9.049 6.701 1.00 0.00 H new ATOM 340 N GLN A 42 18.854 -10.872 4.765 1.00 0.00 N ATOM 341 CA GLN A 42 19.473 -11.952 4.005 1.00 0.00 C ATOM 342 C GLN A 42 18.457 -13.040 3.676 1.00 0.00 C ATOM 343 O GLN A 42 18.181 -13.312 2.507 1.00 0.00 O ATOM 344 CB GLN A 42 20.641 -12.549 4.793 1.00 0.00 C ATOM 345 CG GLN A 42 21.909 -11.714 4.727 1.00 0.00 C ATOM 346 CD GLN A 42 22.723 -11.985 3.478 1.00 0.00 C ATOM 347 OE1 GLN A 42 22.307 -12.751 2.606 1.00 0.00 O ATOM 348 NE2 GLN A 42 23.889 -11.359 3.382 1.00 0.00 N ATOM 0 H GLN A 42 18.876 -11.001 5.777 1.00 0.00 H new ATOM 0 HA GLN A 42 19.847 -11.537 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 42 20.345 -12.663 5.836 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.853 -13.548 4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.645 -10.657 4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 42 22.520 -11.919 5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.195 -10.733 4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 42 24.479 -11.503 2.563 1.00 0.00 H new ATOM 357 N TYR A 43 17.904 -13.661 4.713 1.00 0.00 N ATOM 358 CA TYR A 43 16.917 -14.719 4.532 1.00 0.00 C ATOM 359 C TYR A 43 15.615 -14.162 3.967 1.00 0.00 C ATOM 360 O TYR A 43 15.058 -14.704 3.013 1.00 0.00 O ATOM 361 CB TYR A 43 16.649 -15.428 5.862 1.00 0.00 C ATOM 362 CG TYR A 43 17.780 -16.327 6.308 1.00 0.00 C ATOM 363 CD1 TYR A 43 18.906 -15.803 6.931 1.00 0.00 C ATOM 364 CD2 TYR A 43 17.721 -17.700 6.107 1.00 0.00 C ATOM 365 CE1 TYR A 43 19.941 -16.621 7.340 1.00 0.00 C ATOM 366 CE2 TYR A 43 18.753 -18.526 6.514 1.00 0.00 C ATOM 367 CZ TYR A 43 19.860 -17.981 7.129 1.00 0.00 C ATOM 368 OH TYR A 43 20.889 -18.799 7.535 1.00 0.00 O ATOM 0 H TYR A 43 18.123 -13.450 5.687 1.00 0.00 H new ATOM 0 HA TYR A 43 17.320 -15.438 3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 43 16.466 -14.679 6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 43 15.739 -16.021 5.771 1.00 0.00 H new ATOM 0 HD1 TYR A 43 18.973 -14.738 7.098 1.00 0.00 H new ATOM 0 HD2 TYR A 43 16.855 -18.130 5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.809 -16.197 7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 43 18.692 -19.592 6.351 1.00 0.00 H new ATOM 0 HH TYR A 43 20.674 -19.729 7.313 1.00 0.00 H new ATOM 378 N CYS A 44 15.136 -13.074 4.563 1.00 0.00 N ATOM 379 CA CYS A 44 13.899 -12.442 4.118 1.00 0.00 C ATOM 380 C CYS A 44 14.148 -10.996 3.696 1.00 0.00 C ATOM 381 O CYS A 44 13.813 -10.062 4.424 1.00 0.00 O ATOM 382 CB CYS A 44 12.849 -12.489 5.231 1.00 0.00 C ATOM 383 SG CYS A 44 11.770 -13.939 5.167 1.00 0.00 S ATOM 0 H CYS A 44 15.585 -12.613 5.354 1.00 0.00 H new ATOM 0 HA CYS A 44 13.527 -12.994 3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.356 -12.469 6.196 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.235 -11.590 5.175 1.00 0.00 H new ATOM 0 HG CYS A 44 10.919 -13.890 6.148 1.00 0.00 H new ATOM 389 N PRO A 45 14.740 -10.793 2.507 1.00 0.00 N ATOM 390 CA PRO A 45 15.033 -9.452 1.989 1.00 0.00 C ATOM 391 C PRO A 45 13.778 -8.711 1.536 1.00 0.00 C ATOM 392 O PRO A 45 13.816 -7.508 1.278 1.00 0.00 O ATOM 393 CB PRO A 45 15.949 -9.729 0.797 1.00 0.00 C ATOM 394 CG PRO A 45 15.568 -11.093 0.338 1.00 0.00 C ATOM 395 CD PRO A 45 15.171 -11.854 1.575 1.00 0.00 C ATOM 0 HA PRO A 45 15.478 -8.811 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.806 -8.991 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.999 -9.687 1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.744 -11.049 -0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.401 -11.580 -0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.366 -12.561 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.005 -12.428 1.978 1.00 0.00 H new ATOM 403 N CYS A 46 12.664 -9.434 1.440 1.00 0.00 N ATOM 404 CA CYS A 46 11.401 -8.840 1.015 1.00 0.00 C ATOM 405 C CYS A 46 10.742 -8.081 2.162 1.00 0.00 C ATOM 406 O CYS A 46 10.875 -8.457 3.328 1.00 0.00 O ATOM 407 CB CYS A 46 10.455 -9.921 0.492 1.00 0.00 C ATOM 408 SG CYS A 46 9.448 -9.402 -0.916 1.00 0.00 S ATOM 0 H CYS A 46 12.612 -10.431 1.651 1.00 0.00 H new ATOM 0 HA CYS A 46 11.613 -8.134 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.041 -10.793 0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.795 -10.234 1.301 1.00 0.00 H new ATOM 0 HG CYS A 46 8.215 -9.245 -0.534 1.00 0.00 H new ATOM 414 N LEU A 47 10.028 -7.013 1.824 1.00 0.00 N ATOM 415 CA LEU A 47 9.343 -6.199 2.823 1.00 0.00 C ATOM 416 C LEU A 47 7.831 -6.268 2.631 1.00 0.00 C ATOM 417 O LEU A 47 7.349 -6.521 1.528 1.00 0.00 O ATOM 418 CB LEU A 47 9.817 -4.747 2.741 1.00 0.00 C ATOM 419 CG LEU A 47 10.993 -4.397 3.655 1.00 0.00 C ATOM 420 CD1 LEU A 47 10.563 -4.429 5.114 1.00 0.00 C ATOM 421 CD2 LEU A 47 12.154 -5.352 3.419 1.00 0.00 C ATOM 0 H LEU A 47 9.908 -6.690 0.864 1.00 0.00 H new ATOM 0 HA LEU A 47 9.585 -6.594 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.100 -4.531 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.980 -4.093 2.985 1.00 0.00 H new ATOM 0 HG LEU A 47 11.325 -3.386 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.412 -4.178 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.764 -3.705 5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.204 -5.427 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.982 -5.088 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.834 -6.373 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.479 -5.280 2.381 1.00 0.00 H new ATOM 433 N TYR A 48 7.090 -6.041 3.710 1.00 0.00 N ATOM 434 CA TYR A 48 5.634 -6.078 3.656 1.00 0.00 C ATOM 435 C TYR A 48 5.022 -5.134 4.685 1.00 0.00 C ATOM 436 O TYR A 48 5.560 -4.957 5.779 1.00 0.00 O ATOM 437 CB TYR A 48 5.131 -7.506 3.890 1.00 0.00 C ATOM 438 CG TYR A 48 4.646 -8.190 2.631 1.00 0.00 C ATOM 439 CD1 TYR A 48 3.585 -7.668 1.899 1.00 0.00 C ATOM 440 CD2 TYR A 48 5.245 -9.357 2.178 1.00 0.00 C ATOM 441 CE1 TYR A 48 3.138 -8.291 0.749 1.00 0.00 C ATOM 442 CE2 TYR A 48 4.803 -9.986 1.027 1.00 0.00 C ATOM 443 CZ TYR A 48 3.750 -9.448 0.318 1.00 0.00 C ATOM 444 OH TYR A 48 3.307 -10.073 -0.825 1.00 0.00 O ATOM 0 H TYR A 48 7.473 -5.830 4.631 1.00 0.00 H new ATOM 0 HA TYR A 48 5.325 -5.748 2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.934 -8.098 4.329 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.319 -7.482 4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.103 -6.762 2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.069 -9.781 2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.313 -7.873 0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.280 -10.893 0.686 1.00 0.00 H new ATOM 0 HH TYR A 48 3.846 -10.874 -0.990 1.00 0.00 H new ATOM 454 N ILE A 49 3.892 -4.532 4.330 1.00 0.00 N ATOM 455 CA ILE A 49 3.203 -3.607 5.222 1.00 0.00 C ATOM 456 C ILE A 49 2.350 -4.361 6.238 1.00 0.00 C ATOM 457 O ILE A 49 1.905 -5.480 5.981 1.00 0.00 O ATOM 458 CB ILE A 49 2.308 -2.630 4.436 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.104 -1.976 3.304 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.730 -1.573 5.366 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.303 -0.977 2.497 1.00 0.00 C ATOM 0 H ILE A 49 3.433 -4.668 3.429 1.00 0.00 H new ATOM 0 HA ILE A 49 3.971 -3.038 5.747 1.00 0.00 H new ATOM 0 HB ILE A 49 1.481 -3.189 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.975 -1.474 3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.477 -2.754 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.100 -0.891 4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.133 -2.056 6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.542 -1.014 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.932 -0.555 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.447 -1.478 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.953 -0.178 3.151 1.00 0.00 H new ATOM 473 N VAL A 50 2.130 -3.744 7.395 1.00 0.00 N ATOM 474 CA VAL A 50 1.335 -4.361 8.449 1.00 0.00 C ATOM 475 C VAL A 50 -0.062 -3.753 8.519 1.00 0.00 C ATOM 476 O VAL A 50 -1.056 -4.432 8.266 1.00 0.00 O ATOM 477 CB VAL A 50 2.014 -4.215 9.824 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.282 -5.040 10.872 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.477 -4.622 9.740 1.00 0.00 C ATOM 0 H VAL A 50 2.491 -2.818 7.625 1.00 0.00 H new ATOM 0 HA VAL A 50 1.254 -5.419 8.201 1.00 0.00 H new ATOM 0 HB VAL A 50 1.968 -3.168 10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.776 -4.924 11.837 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.250 -4.697 10.949 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.294 -6.091 10.582 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.942 -4.513 10.720 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.548 -5.661 9.418 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.991 -3.984 9.021 1.00 0.00 H new ATOM 489 N GLN A 51 -0.131 -2.470 8.865 1.00 0.00 N ATOM 490 CA GLN A 51 -1.411 -1.778 8.968 1.00 0.00 C ATOM 491 C GLN A 51 -1.215 -0.266 9.020 1.00 0.00 C ATOM 492 O GLN A 51 -0.088 0.227 8.977 1.00 0.00 O ATOM 493 CB GLN A 51 -2.166 -2.247 10.214 1.00 0.00 C ATOM 494 CG GLN A 51 -1.320 -2.238 11.478 1.00 0.00 C ATOM 495 CD GLN A 51 -1.878 -1.319 12.549 1.00 0.00 C ATOM 496 OE1 GLN A 51 -2.099 -0.131 12.310 1.00 0.00 O ATOM 497 NE2 GLN A 51 -2.107 -1.866 13.737 1.00 0.00 N ATOM 0 H GLN A 51 0.681 -1.891 9.078 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.996 -2.018 8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.035 -1.607 10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.539 -3.257 10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.254 -3.252 11.873 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.306 -1.926 11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.909 -2.855 13.890 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.481 -1.297 14.497 1.00 0.00 H new ATOM 506 N VAL A 52 -2.323 0.463 9.112 1.00 0.00 N ATOM 507 CA VAL A 52 -2.280 1.920 9.171 1.00 0.00 C ATOM 508 C VAL A 52 -2.858 2.431 10.485 1.00 0.00 C ATOM 509 O VAL A 52 -3.534 1.695 11.205 1.00 0.00 O ATOM 510 CB VAL A 52 -3.063 2.560 8.006 1.00 0.00 C ATOM 511 CG1 VAL A 52 -2.684 4.024 7.841 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.829 1.795 6.713 1.00 0.00 C ATOM 0 H VAL A 52 -3.263 0.068 9.147 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.231 2.205 9.095 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.126 2.508 8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.248 4.455 7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.915 4.565 8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.617 4.102 7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.391 2.264 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.766 1.807 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.162 0.764 6.835 1.00 0.00 H new ATOM 522 N PHE A 53 -2.595 3.696 10.788 1.00 0.00 N ATOM 523 CA PHE A 53 -3.095 4.309 12.010 1.00 0.00 C ATOM 524 C PHE A 53 -4.189 5.323 11.693 1.00 0.00 C ATOM 525 O PHE A 53 -4.253 5.855 10.586 1.00 0.00 O ATOM 526 CB PHE A 53 -1.954 4.989 12.770 1.00 0.00 C ATOM 527 CG PHE A 53 -1.090 4.029 13.536 1.00 0.00 C ATOM 528 CD1 PHE A 53 -0.053 3.357 12.909 1.00 0.00 C ATOM 529 CD2 PHE A 53 -1.317 3.797 14.883 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.742 2.473 13.612 1.00 0.00 C ATOM 531 CE2 PHE A 53 -0.524 2.913 15.591 1.00 0.00 C ATOM 532 CZ PHE A 53 0.507 2.250 14.954 1.00 0.00 C ATOM 0 H PHE A 53 -2.037 4.318 10.203 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.519 3.525 12.638 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.334 5.539 12.062 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.373 5.720 13.462 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.136 3.526 11.859 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.122 4.312 15.385 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.548 1.956 13.112 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.710 2.741 16.641 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.128 1.559 15.505 1.00 0.00 H new ATOM 542 N ASP A 54 -5.049 5.582 12.670 1.00 0.00 N ATOM 543 CA ASP A 54 -6.142 6.530 12.492 1.00 0.00 C ATOM 544 C ASP A 54 -5.635 7.969 12.547 1.00 0.00 C ATOM 545 O ASP A 54 -4.640 8.263 13.208 1.00 0.00 O ATOM 546 CB ASP A 54 -7.212 6.314 13.564 1.00 0.00 C ATOM 547 CG ASP A 54 -8.549 6.913 13.176 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.961 6.738 12.010 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.183 7.559 14.036 1.00 0.00 O ATOM 0 H ASP A 54 -5.011 5.149 13.593 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.580 6.357 11.509 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.334 5.245 13.742 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.877 6.757 14.502 1.00 0.00 H new ATOM 554 N ASN A 55 -6.334 8.857 11.849 1.00 0.00 N ATOM 555 CA ASN A 55 -5.969 10.270 11.814 1.00 0.00 C ATOM 556 C ASN A 55 -4.588 10.477 11.197 1.00 0.00 C ATOM 557 O ASN A 55 -3.911 11.462 11.492 1.00 0.00 O ATOM 558 CB ASN A 55 -6.004 10.862 13.224 1.00 0.00 C ATOM 559 CG ASN A 55 -7.418 11.063 13.731 1.00 0.00 C ATOM 560 OD1 ASN A 55 -8.085 9.967 14.074 1.00 0.00 O flip ATOM 561 ND2 ASN A 55 -7.906 12.191 13.815 1.00 0.00 N flip ATOM 0 H ASN A 55 -7.160 8.623 11.298 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.699 10.784 11.188 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.467 10.202 13.906 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.480 11.818 13.227 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.357 13.006 13.540 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.859 12.310 14.159 1.00 0.00 H new ATOM 568 N THR A 56 -4.176 9.551 10.336 1.00 0.00 N ATOM 569 CA THR A 56 -2.877 9.649 9.679 1.00 0.00 C ATOM 570 C THR A 56 -3.051 9.962 8.195 1.00 0.00 C ATOM 571 O THR A 56 -4.054 9.591 7.590 1.00 0.00 O ATOM 572 CB THR A 56 -2.090 8.350 9.853 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.753 7.272 9.217 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.875 7.969 11.301 1.00 0.00 C ATOM 0 H THR A 56 -4.720 8.728 10.078 1.00 0.00 H new ATOM 0 HA THR A 56 -2.319 10.461 10.144 1.00 0.00 H new ATOM 0 HB THR A 56 -1.118 8.539 9.397 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.284 6.779 9.877 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.310 7.038 11.352 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.319 8.759 11.806 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.840 7.835 11.789 1.00 0.00 H new ATOM 582 N PRO A 57 -2.071 10.650 7.585 1.00 0.00 N ATOM 583 CA PRO A 57 -2.127 11.009 6.164 1.00 0.00 C ATOM 584 C PRO A 57 -2.256 9.783 5.265 1.00 0.00 C ATOM 585 O PRO A 57 -2.936 9.822 4.239 1.00 0.00 O ATOM 586 CB PRO A 57 -0.794 11.724 5.912 1.00 0.00 C ATOM 587 CG PRO A 57 0.082 11.339 7.057 1.00 0.00 C ATOM 588 CD PRO A 57 -0.838 11.130 8.224 1.00 0.00 C ATOM 0 HA PRO A 57 -2.997 11.625 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.357 11.417 4.962 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.930 12.805 5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.642 10.431 6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.813 12.119 7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.438 10.401 8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.003 12.053 8.779 1.00 0.00 H new ATOM 596 N ALA A 58 -1.598 8.697 5.656 1.00 0.00 N ATOM 597 CA ALA A 58 -1.637 7.460 4.885 1.00 0.00 C ATOM 598 C ALA A 58 -3.031 6.842 4.907 1.00 0.00 C ATOM 599 O ALA A 58 -3.461 6.220 3.935 1.00 0.00 O ATOM 600 CB ALA A 58 -0.611 6.474 5.420 1.00 0.00 C ATOM 0 H ALA A 58 -1.031 8.648 6.503 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.391 7.698 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.651 5.555 4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.386 6.909 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.831 6.250 6.464 1.00 0.00 H new ATOM 606 N ALA A 59 -3.733 7.013 6.024 1.00 0.00 N ATOM 607 CA ALA A 59 -5.078 6.469 6.173 1.00 0.00 C ATOM 608 C ALA A 59 -6.120 7.401 5.563 1.00 0.00 C ATOM 609 O ALA A 59 -6.964 6.973 4.775 1.00 0.00 O ATOM 610 CB ALA A 59 -5.385 6.220 7.641 1.00 0.00 C ATOM 0 H ALA A 59 -3.392 7.524 6.838 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.121 5.521 5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.392 5.814 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.666 5.509 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.317 7.159 8.191 1.00 0.00 H new ATOM 616 N LEU A 60 -6.056 8.676 5.934 1.00 0.00 N ATOM 617 CA LEU A 60 -6.995 9.671 5.428 1.00 0.00 C ATOM 618 C LEU A 60 -6.986 9.707 3.902 1.00 0.00 C ATOM 619 O LEU A 60 -8.011 9.960 3.272 1.00 0.00 O ATOM 620 CB LEU A 60 -6.652 11.055 5.986 1.00 0.00 C ATOM 621 CG LEU A 60 -6.694 11.168 7.511 1.00 0.00 C ATOM 622 CD1 LEU A 60 -6.101 12.495 7.964 1.00 0.00 C ATOM 623 CD2 LEU A 60 -8.120 11.021 8.019 1.00 0.00 C ATOM 0 H LEU A 60 -5.362 9.045 6.584 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.995 9.390 5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.654 11.331 5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.346 11.782 5.564 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.095 10.361 7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.139 12.558 9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.065 12.562 7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.674 13.316 7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.129 11.104 9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.742 11.806 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.512 10.047 7.726 1.00 0.00 H new ATOM 635 N ASP A 61 -5.821 9.452 3.314 1.00 0.00 N ATOM 636 CA ASP A 61 -5.681 9.454 1.862 1.00 0.00 C ATOM 637 C ASP A 61 -6.105 8.112 1.273 1.00 0.00 C ATOM 638 O ASP A 61 -6.600 8.046 0.148 1.00 0.00 O ATOM 639 CB ASP A 61 -4.237 9.766 1.467 1.00 0.00 C ATOM 640 CG ASP A 61 -4.147 10.521 0.155 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.142 9.865 -0.909 1.00 0.00 O ATOM 642 OD2 ASP A 61 -4.083 11.768 0.191 1.00 0.00 O ATOM 0 H ASP A 61 -4.961 9.242 3.820 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.334 10.229 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.767 10.355 2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.676 8.835 1.387 1.00 0.00 H new ATOM 647 N GLY A 62 -5.906 7.046 2.041 1.00 0.00 N ATOM 648 CA GLY A 62 -6.274 5.721 1.578 1.00 0.00 C ATOM 649 C GLY A 62 -5.468 5.282 0.370 1.00 0.00 C ATOM 650 O GLY A 62 -5.822 5.591 -0.766 1.00 0.00 O ATOM 0 H GLY A 62 -5.497 7.076 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.130 5.004 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.335 5.709 1.327 1.00 0.00 H new ATOM 654 N THR A 63 -4.381 4.560 0.619 1.00 0.00 N ATOM 655 CA THR A 63 -3.521 4.078 -0.456 1.00 0.00 C ATOM 656 C THR A 63 -2.713 2.866 -0.008 1.00 0.00 C ATOM 657 O THR A 63 -2.616 1.871 -0.727 1.00 0.00 O ATOM 658 CB THR A 63 -2.577 5.190 -0.920 1.00 0.00 C ATOM 659 OG1 THR A 63 -1.842 4.780 -2.059 1.00 0.00 O ATOM 660 CG2 THR A 63 -1.584 5.614 0.140 1.00 0.00 C ATOM 0 H THR A 63 -4.074 4.296 1.555 1.00 0.00 H new ATOM 0 HA THR A 63 -4.158 3.779 -1.288 1.00 0.00 H new ATOM 0 HB THR A 63 -3.221 6.039 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.203 5.219 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.946 6.405 -0.255 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.120 5.983 1.014 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.969 4.760 0.425 1.00 0.00 H new ATOM 668 N VAL A 64 -2.133 2.955 1.183 1.00 0.00 N ATOM 669 CA VAL A 64 -1.329 1.869 1.726 1.00 0.00 C ATOM 670 C VAL A 64 -1.873 1.398 3.070 1.00 0.00 C ATOM 671 O VAL A 64 -2.314 2.201 3.890 1.00 0.00 O ATOM 672 CB VAL A 64 0.139 2.296 1.900 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.819 2.431 0.546 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.225 3.600 2.679 1.00 0.00 C ATOM 0 H VAL A 64 -2.205 3.770 1.792 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.381 1.048 1.011 1.00 0.00 H new ATOM 0 HB VAL A 64 0.659 1.524 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.856 2.734 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.788 1.473 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.300 3.183 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.270 3.887 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.310 4.382 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.224 3.466 3.663 1.00 0.00 H new ATOM 684 N ALA A 65 -1.838 0.086 3.289 1.00 0.00 N ATOM 685 CA ALA A 65 -2.327 -0.495 4.533 1.00 0.00 C ATOM 686 C ALA A 65 -2.054 -1.995 4.583 1.00 0.00 C ATOM 687 O ALA A 65 -1.287 -2.524 3.778 1.00 0.00 O ATOM 688 CB ALA A 65 -3.816 -0.220 4.693 1.00 0.00 C ATOM 0 H ALA A 65 -1.476 -0.594 2.620 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.792 -0.028 5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.169 -0.659 5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.987 0.856 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.359 -0.660 3.857 1.00 0.00 H new ATOM 694 N ALA A 66 -2.686 -2.675 5.534 1.00 0.00 N ATOM 695 CA ALA A 66 -2.512 -4.115 5.691 1.00 0.00 C ATOM 696 C ALA A 66 -2.858 -4.856 4.403 1.00 0.00 C ATOM 697 O ALA A 66 -4.029 -4.987 4.046 1.00 0.00 O ATOM 698 CB ALA A 66 -3.369 -4.626 6.840 1.00 0.00 C ATOM 0 H ALA A 66 -3.324 -2.252 6.208 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.463 -4.306 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.230 -5.702 6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.073 -4.128 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.418 -4.414 6.634 1.00 0.00 H new ATOM 704 N GLY A 67 -1.831 -5.336 3.709 1.00 0.00 N ATOM 705 CA GLY A 67 -2.048 -6.058 2.469 1.00 0.00 C ATOM 706 C GLY A 67 -1.124 -5.592 1.360 1.00 0.00 C ATOM 707 O GLY A 67 -0.604 -6.403 0.594 1.00 0.00 O ATOM 0 H GLY A 67 -0.853 -5.238 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.897 -7.124 2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.083 -5.930 2.153 1.00 0.00 H new ATOM 711 N ASP A 68 -0.920 -4.281 1.274 1.00 0.00 N ATOM 712 CA ASP A 68 -0.053 -3.708 0.253 1.00 0.00 C ATOM 713 C ASP A 68 1.401 -4.104 0.488 1.00 0.00 C ATOM 714 O ASP A 68 1.845 -4.227 1.629 1.00 0.00 O ATOM 715 CB ASP A 68 -0.182 -2.184 0.240 1.00 0.00 C ATOM 716 CG ASP A 68 -1.614 -1.728 0.043 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.112 -1.812 -1.099 1.00 0.00 O ATOM 718 OD2 ASP A 68 -2.237 -1.284 1.032 1.00 0.00 O ATOM 0 H ASP A 68 -1.344 -3.596 1.900 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.366 -4.101 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.199 -1.782 1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.439 -1.776 -0.557 1.00 0.00 H new ATOM 723 N GLU A 69 2.139 -4.304 -0.599 1.00 0.00 N ATOM 724 CA GLU A 69 3.543 -4.687 -0.511 1.00 0.00 C ATOM 725 C GLU A 69 4.450 -3.537 -0.935 1.00 0.00 C ATOM 726 O GLU A 69 4.546 -3.213 -2.119 1.00 0.00 O ATOM 727 CB GLU A 69 3.815 -5.915 -1.382 1.00 0.00 C ATOM 728 CG GLU A 69 5.152 -6.578 -1.100 1.00 0.00 C ATOM 729 CD GLU A 69 5.431 -7.745 -2.026 1.00 0.00 C ATOM 730 OE1 GLU A 69 4.811 -7.805 -3.108 1.00 0.00 O ATOM 731 OE2 GLU A 69 6.269 -8.599 -1.668 1.00 0.00 O ATOM 0 H GLU A 69 1.788 -4.207 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 69 3.761 -4.932 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.019 -6.643 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.779 -5.621 -2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.948 -5.840 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.170 -6.926 -0.067 1.00 0.00 H new ATOM 738 N ILE A 70 5.115 -2.924 0.039 1.00 0.00 N ATOM 739 CA ILE A 70 6.015 -1.811 -0.232 1.00 0.00 C ATOM 740 C ILE A 70 7.322 -2.300 -0.848 1.00 0.00 C ATOM 741 O ILE A 70 7.981 -3.188 -0.306 1.00 0.00 O ATOM 742 CB ILE A 70 6.325 -1.014 1.051 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.186 0.209 0.727 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.018 -1.902 2.075 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.365 1.150 1.900 1.00 0.00 C ATOM 0 H ILE A 70 5.047 -3.180 1.024 1.00 0.00 H new ATOM 0 HA ILE A 70 5.507 -1.156 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 70 5.384 -0.667 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.166 -0.126 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.732 0.754 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.230 -1.324 2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.369 -2.741 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.952 -2.278 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.986 1.994 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.391 1.514 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.848 0.620 2.721 1.00 0.00 H new ATOM 757 N THR A 71 7.692 -1.718 -1.985 1.00 0.00 N ATOM 758 CA THR A 71 8.919 -2.096 -2.675 1.00 0.00 C ATOM 759 C THR A 71 9.606 -0.875 -3.278 1.00 0.00 C ATOM 760 O THR A 71 10.245 -0.964 -4.325 1.00 0.00 O ATOM 761 CB THR A 71 8.620 -3.118 -3.771 1.00 0.00 C ATOM 762 OG1 THR A 71 9.799 -3.460 -4.475 1.00 0.00 O ATOM 763 CG2 THR A 71 7.606 -2.629 -4.783 1.00 0.00 C ATOM 0 H THR A 71 7.158 -0.982 -2.448 1.00 0.00 H new ATOM 0 HA THR A 71 9.591 -2.544 -1.943 1.00 0.00 H new ATOM 0 HB THR A 71 8.206 -3.983 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.222 -2.646 -4.820 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.439 -3.402 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.667 -2.405 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.981 -1.728 -5.268 1.00 0.00 H new ATOM 771 N GLY A 72 9.471 0.266 -2.609 1.00 0.00 N ATOM 772 CA GLY A 72 10.084 1.487 -3.095 1.00 0.00 C ATOM 773 C GLY A 72 9.762 2.684 -2.223 1.00 0.00 C ATOM 774 O GLY A 72 8.917 2.601 -1.331 1.00 0.00 O ATOM 0 H GLY A 72 8.948 0.366 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.165 1.354 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.744 1.681 -4.112 1.00 0.00 H new ATOM 778 N VAL A 73 10.436 3.798 -2.480 1.00 0.00 N ATOM 779 CA VAL A 73 10.216 5.016 -1.711 1.00 0.00 C ATOM 780 C VAL A 73 11.015 6.183 -2.287 1.00 0.00 C ATOM 781 O VAL A 73 12.206 6.053 -2.570 1.00 0.00 O ATOM 782 CB VAL A 73 10.597 4.823 -0.229 1.00 0.00 C ATOM 783 CG1 VAL A 73 12.080 4.504 -0.089 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.228 6.055 0.582 1.00 0.00 C ATOM 0 H VAL A 73 11.139 3.883 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 73 9.152 5.243 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 73 10.033 3.976 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.326 4.372 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.308 3.587 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.669 5.324 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.504 5.900 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.761 6.921 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.154 6.228 0.513 1.00 0.00 H new ATOM 794 N ASN A 74 10.352 7.322 -2.455 1.00 0.00 N ATOM 795 CA ASN A 74 11.001 8.515 -2.992 1.00 0.00 C ATOM 796 C ASN A 74 11.665 8.231 -4.339 1.00 0.00 C ATOM 797 O ASN A 74 12.575 8.947 -4.751 1.00 0.00 O ATOM 798 CB ASN A 74 12.041 9.043 -2.003 1.00 0.00 C ATOM 799 CG ASN A 74 12.262 10.536 -2.139 1.00 0.00 C ATOM 800 OD1 ASN A 74 13.371 10.987 -2.430 1.00 0.00 O ATOM 801 ND2 ASN A 74 11.207 11.313 -1.927 1.00 0.00 N ATOM 0 H ASN A 74 9.365 7.445 -2.227 1.00 0.00 H new ATOM 0 HA ASN A 74 10.231 9.271 -3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.719 8.817 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.986 8.523 -2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.296 12.326 -2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.307 10.897 -1.688 1.00 0.00 H new ATOM 808 N GLY A 75 11.199 7.189 -5.023 1.00 0.00 N ATOM 809 CA GLY A 75 11.761 6.845 -6.316 1.00 0.00 C ATOM 810 C GLY A 75 12.710 5.663 -6.253 1.00 0.00 C ATOM 811 O GLY A 75 12.773 4.864 -7.188 1.00 0.00 O ATOM 0 H GLY A 75 10.445 6.580 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.951 6.618 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.291 7.709 -6.717 1.00 0.00 H new ATOM 815 N ARG A 76 13.454 5.549 -5.157 1.00 0.00 N ATOM 816 CA ARG A 76 14.404 4.453 -4.994 1.00 0.00 C ATOM 817 C ARG A 76 13.715 3.207 -4.446 1.00 0.00 C ATOM 818 O ARG A 76 12.750 3.302 -3.689 1.00 0.00 O ATOM 819 CB ARG A 76 15.554 4.870 -4.072 1.00 0.00 C ATOM 820 CG ARG A 76 15.149 5.018 -2.612 1.00 0.00 C ATOM 821 CD ARG A 76 15.543 6.379 -2.063 1.00 0.00 C ATOM 822 NE ARG A 76 14.633 6.832 -1.014 1.00 0.00 N ATOM 823 CZ ARG A 76 14.697 8.033 -0.444 1.00 0.00 C ATOM 824 NH1 ARG A 76 15.625 8.904 -0.820 1.00 0.00 N ATOM 825 NH2 ARG A 76 13.829 8.366 0.502 1.00 0.00 N ATOM 0 H ARG A 76 13.418 6.199 -4.372 1.00 0.00 H new ATOM 0 HA ARG A 76 14.811 4.214 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.352 4.131 -4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.964 5.817 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.072 4.883 -2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.622 4.234 -2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.557 6.330 -1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.553 7.108 -2.874 1.00 0.00 H new ATOM 0 HE ARG A 76 13.905 6.190 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.293 8.654 -1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.670 9.823 -0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.112 7.702 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.879 9.287 0.938 1.00 0.00 H new ATOM 839 N SER A 77 14.218 2.041 -4.837 1.00 0.00 N ATOM 840 CA SER A 77 13.651 0.775 -4.387 1.00 0.00 C ATOM 841 C SER A 77 14.074 0.466 -2.956 1.00 0.00 C ATOM 842 O SER A 77 15.001 1.078 -2.425 1.00 0.00 O ATOM 843 CB SER A 77 14.087 -0.360 -5.316 1.00 0.00 C ATOM 844 OG SER A 77 15.461 -0.662 -5.144 1.00 0.00 O ATOM 0 H SER A 77 15.017 1.946 -5.464 1.00 0.00 H new ATOM 0 HA SER A 77 12.565 0.862 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.488 -1.249 -5.115 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.901 -0.078 -6.352 1.00 0.00 H new ATOM 0 HG SER A 77 15.714 -1.391 -5.748 1.00 0.00 H new ATOM 850 N ILE A 78 13.387 -0.487 -2.334 1.00 0.00 N ATOM 851 CA ILE A 78 13.691 -0.880 -0.963 1.00 0.00 C ATOM 852 C ILE A 78 13.778 -2.399 -0.820 1.00 0.00 C ATOM 853 O ILE A 78 13.855 -2.920 0.292 1.00 0.00 O ATOM 854 CB ILE A 78 12.629 -0.349 0.018 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.253 -0.922 -0.324 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.598 1.171 -0.007 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.930 -2.203 0.413 1.00 0.00 C ATOM 0 H ILE A 78 12.615 -1.002 -2.758 1.00 0.00 H new ATOM 0 HA ILE A 78 14.660 -0.443 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 78 12.894 -0.671 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.491 -0.178 -0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.202 -1.107 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.843 1.531 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.574 1.560 0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.355 1.513 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.939 -2.551 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.670 -2.963 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.948 -2.019 1.487 1.00 0.00 H new ATOM 869 N LYS A 79 13.767 -3.105 -1.948 1.00 0.00 N ATOM 870 CA LYS A 79 13.843 -4.561 -1.934 1.00 0.00 C ATOM 871 C LYS A 79 15.167 -5.029 -1.339 1.00 0.00 C ATOM 872 O LYS A 79 15.241 -6.095 -0.726 1.00 0.00 O ATOM 873 CB LYS A 79 13.682 -5.115 -3.350 1.00 0.00 C ATOM 874 CG LYS A 79 12.299 -4.882 -3.940 1.00 0.00 C ATOM 875 CD LYS A 79 12.169 -5.512 -5.317 1.00 0.00 C ATOM 876 CE LYS A 79 11.464 -6.856 -5.251 1.00 0.00 C ATOM 877 NZ LYS A 79 10.764 -7.181 -6.525 1.00 0.00 N ATOM 0 H LYS A 79 13.706 -2.693 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 79 13.031 -4.937 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.427 -4.654 -3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.888 -6.185 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.543 -5.299 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.107 -3.811 -4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.615 -4.841 -5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.159 -5.641 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.191 -7.636 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.744 -6.848 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.296 -8.106 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.052 -6.450 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.455 -7.214 -7.302 1.00 0.00 H new ATOM 891 N GLY A 80 16.211 -4.226 -1.520 1.00 0.00 N ATOM 892 CA GLY A 80 17.517 -4.576 -0.994 1.00 0.00 C ATOM 893 C GLY A 80 17.866 -3.795 0.258 1.00 0.00 C ATOM 894 O GLY A 80 19.011 -3.383 0.442 1.00 0.00 O ATOM 0 H GLY A 80 16.175 -3.339 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.542 -5.643 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.274 -4.391 -1.756 1.00 0.00 H new ATOM 898 N LYS A 81 16.876 -3.589 1.120 1.00 0.00 N ATOM 899 CA LYS A 81 17.083 -2.853 2.362 1.00 0.00 C ATOM 900 C LYS A 81 16.364 -3.531 3.523 1.00 0.00 C ATOM 901 O LYS A 81 15.357 -4.211 3.329 1.00 0.00 O ATOM 902 CB LYS A 81 16.590 -1.412 2.213 1.00 0.00 C ATOM 903 CG LYS A 81 17.102 -0.719 0.960 1.00 0.00 C ATOM 904 CD LYS A 81 17.280 0.774 1.183 1.00 0.00 C ATOM 905 CE LYS A 81 17.437 1.521 -0.132 1.00 0.00 C ATOM 906 NZ LYS A 81 18.126 2.829 0.048 1.00 0.00 N ATOM 0 H LYS A 81 15.922 -3.922 0.981 1.00 0.00 H new ATOM 0 HA LYS A 81 18.152 -2.844 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.500 -1.409 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.899 -0.839 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.054 -1.160 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.403 -0.885 0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.420 1.167 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 81 18.156 0.947 1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.003 0.907 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.455 1.687 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.167 3.328 -0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.601 3.406 0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.092 2.667 0.398 1.00 0.00 H new ATOM 920 N THR A 82 16.884 -3.338 4.730 1.00 0.00 N ATOM 921 CA THR A 82 16.287 -3.932 5.922 1.00 0.00 C ATOM 922 C THR A 82 15.106 -3.099 6.409 1.00 0.00 C ATOM 923 O THR A 82 14.847 -2.011 5.893 1.00 0.00 O ATOM 924 CB THR A 82 17.331 -4.058 7.033 1.00 0.00 C ATOM 925 OG1 THR A 82 18.298 -3.026 6.932 1.00 0.00 O ATOM 926 CG2 THR A 82 18.066 -5.381 7.016 1.00 0.00 C ATOM 0 H THR A 82 17.716 -2.776 4.910 1.00 0.00 H new ATOM 0 HA THR A 82 15.925 -4.926 5.661 1.00 0.00 H new ATOM 0 HB THR A 82 16.772 -3.984 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.956 -3.123 7.652 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.791 -5.405 7.829 1.00 0.00 H new ATOM 0 HG22 THR A 82 17.352 -6.195 7.142 1.00 0.00 H new ATOM 0 HG23 THR A 82 18.584 -5.497 6.064 1.00 0.00 H new ATOM 934 N LYS A 83 14.393 -3.617 7.402 1.00 0.00 N ATOM 935 CA LYS A 83 13.237 -2.919 7.955 1.00 0.00 C ATOM 936 C LYS A 83 13.656 -1.608 8.614 1.00 0.00 C ATOM 937 O LYS A 83 12.915 -0.625 8.587 1.00 0.00 O ATOM 938 CB LYS A 83 12.513 -3.806 8.971 1.00 0.00 C ATOM 939 CG LYS A 83 13.401 -4.274 10.114 1.00 0.00 C ATOM 940 CD LYS A 83 12.579 -4.648 11.337 1.00 0.00 C ATOM 941 CE LYS A 83 13.220 -4.131 12.617 1.00 0.00 C ATOM 942 NZ LYS A 83 12.388 -4.433 13.815 1.00 0.00 N ATOM 0 H LYS A 83 14.594 -4.516 7.840 1.00 0.00 H new ATOM 0 HA LYS A 83 12.557 -2.691 7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.666 -3.256 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.108 -4.677 8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.989 -5.134 9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.107 -3.485 10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.574 -4.238 11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.477 -5.732 11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.206 -4.580 12.737 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.368 -3.054 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.191 -3.552 14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.491 -4.866 13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.900 -5.092 14.436 1.00 0.00 H new ATOM 956 N VAL A 84 14.848 -1.601 9.202 1.00 0.00 N ATOM 957 CA VAL A 84 15.365 -0.409 9.866 1.00 0.00 C ATOM 958 C VAL A 84 15.759 0.656 8.847 1.00 0.00 C ATOM 959 O VAL A 84 15.438 1.833 9.010 1.00 0.00 O ATOM 960 CB VAL A 84 16.581 -0.741 10.753 1.00 0.00 C ATOM 961 CG1 VAL A 84 17.725 -1.291 9.917 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.024 0.488 11.535 1.00 0.00 C ATOM 0 H VAL A 84 15.474 -2.406 9.232 1.00 0.00 H new ATOM 0 HA VAL A 84 14.565 -0.023 10.498 1.00 0.00 H new ATOM 0 HB VAL A 84 16.284 -1.511 11.466 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.572 -1.518 10.564 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.401 -2.200 9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.023 -0.550 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.883 0.234 12.155 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.300 1.281 10.840 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.206 0.829 12.170 1.00 0.00 H new ATOM 972 N GLU A 85 16.455 0.234 7.797 1.00 0.00 N ATOM 973 CA GLU A 85 16.890 1.153 6.751 1.00 0.00 C ATOM 974 C GLU A 85 15.692 1.808 6.071 1.00 0.00 C ATOM 975 O GLU A 85 15.700 3.006 5.791 1.00 0.00 O ATOM 976 CB GLU A 85 17.739 0.415 5.713 1.00 0.00 C ATOM 977 CG GLU A 85 19.097 -0.020 6.236 1.00 0.00 C ATOM 978 CD GLU A 85 20.050 1.146 6.423 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.067 2.044 5.555 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.779 1.161 7.437 1.00 0.00 O ATOM 0 H GLU A 85 16.730 -0.737 7.647 1.00 0.00 H new ATOM 0 HA GLU A 85 17.494 1.932 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.194 -0.463 5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.883 1.062 4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.968 -0.535 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.537 -0.737 5.543 1.00 0.00 H new ATOM 987 N VAL A 86 14.662 1.009 5.810 1.00 0.00 N ATOM 988 CA VAL A 86 13.453 1.507 5.164 1.00 0.00 C ATOM 989 C VAL A 86 12.718 2.494 6.064 1.00 0.00 C ATOM 990 O VAL A 86 12.369 3.596 5.640 1.00 0.00 O ATOM 991 CB VAL A 86 12.498 0.355 4.796 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.330 0.873 3.972 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.243 -0.742 4.050 1.00 0.00 C ATOM 0 H VAL A 86 14.641 0.015 6.036 1.00 0.00 H new ATOM 0 HA VAL A 86 13.766 2.014 4.252 1.00 0.00 H new ATOM 0 HB VAL A 86 12.102 -0.072 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.666 0.046 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.780 1.618 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.705 1.328 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.551 -1.546 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.671 -0.333 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.041 -1.134 4.681 1.00 0.00 H new ATOM 1003 N ALA A 87 12.485 2.091 7.309 1.00 0.00 N ATOM 1004 CA ALA A 87 11.790 2.938 8.273 1.00 0.00 C ATOM 1005 C ALA A 87 12.494 4.282 8.429 1.00 0.00 C ATOM 1006 O ALA A 87 11.875 5.338 8.290 1.00 0.00 O ATOM 1007 CB ALA A 87 11.691 2.232 9.617 1.00 0.00 C ATOM 0 H ALA A 87 12.768 1.182 7.675 1.00 0.00 H new ATOM 0 HA ALA A 87 10.784 3.126 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.171 2.874 10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.139 1.300 9.498 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.692 2.016 9.989 1.00 0.00 H new ATOM 1013 N LYS A 88 13.790 4.234 8.716 1.00 0.00 N ATOM 1014 CA LYS A 88 14.580 5.448 8.888 1.00 0.00 C ATOM 1015 C LYS A 88 14.563 6.291 7.616 1.00 0.00 C ATOM 1016 O LYS A 88 14.634 7.519 7.671 1.00 0.00 O ATOM 1017 CB LYS A 88 16.020 5.095 9.266 1.00 0.00 C ATOM 1018 CG LYS A 88 16.317 5.264 10.748 1.00 0.00 C ATOM 1019 CD LYS A 88 17.307 4.221 11.240 1.00 0.00 C ATOM 1020 CE LYS A 88 17.956 4.645 12.548 1.00 0.00 C ATOM 1021 NZ LYS A 88 17.256 4.068 13.729 1.00 0.00 N ATOM 0 H LYS A 88 14.316 3.368 8.834 1.00 0.00 H new ATOM 0 HA LYS A 88 14.136 6.032 9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.220 4.063 8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.702 5.723 8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 88 16.718 6.261 10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.391 5.185 11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.796 3.268 11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.077 4.063 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.999 4.329 12.555 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.952 5.733 12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.729 4.381 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.267 4.390 13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.282 3.030 13.675 1.00 0.00 H new ATOM 1035 N MET A 89 14.466 5.622 6.472 1.00 0.00 N ATOM 1036 CA MET A 89 14.438 6.308 5.186 1.00 0.00 C ATOM 1037 C MET A 89 13.223 7.225 5.088 1.00 0.00 C ATOM 1038 O MET A 89 13.338 8.385 4.691 1.00 0.00 O ATOM 1039 CB MET A 89 14.420 5.295 4.041 1.00 0.00 C ATOM 1040 CG MET A 89 14.655 5.917 2.673 1.00 0.00 C ATOM 1041 SD MET A 89 15.934 5.066 1.728 1.00 0.00 S ATOM 1042 CE MET A 89 14.939 3.957 0.735 1.00 0.00 C ATOM 0 H MET A 89 14.405 4.606 6.409 1.00 0.00 H new ATOM 0 HA MET A 89 15.339 6.916 5.107 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.184 4.540 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.459 4.781 4.037 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.723 5.904 2.108 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.937 6.962 2.798 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.567 3.157 0.343 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.148 3.529 1.350 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.496 4.509 -0.093 1.00 0.00 H new ATOM 1052 N ILE A 90 12.058 6.699 5.455 1.00 0.00 N ATOM 1053 CA ILE A 90 10.824 7.473 5.408 1.00 0.00 C ATOM 1054 C ILE A 90 10.888 8.661 6.361 1.00 0.00 C ATOM 1055 O ILE A 90 10.623 9.797 5.971 1.00 0.00 O ATOM 1056 CB ILE A 90 9.599 6.609 5.768 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.610 5.300 4.976 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.314 7.381 5.504 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.724 5.498 3.479 1.00 0.00 C ATOM 0 H ILE A 90 11.944 5.742 5.788 1.00 0.00 H new ATOM 0 HA ILE A 90 10.716 7.832 4.384 1.00 0.00 H new ATOM 0 HB ILE A 90 9.648 6.366 6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.443 4.686 5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.696 4.747 5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.457 6.760 5.762 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.302 8.286 6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.262 7.651 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.726 4.528 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.877 6.086 3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.651 6.024 3.251 1.00 0.00 H new ATOM 1071 N GLN A 91 11.242 8.389 7.615 1.00 0.00 N ATOM 1072 CA GLN A 91 11.342 9.436 8.626 1.00 0.00 C ATOM 1073 C GLN A 91 12.319 10.524 8.190 1.00 0.00 C ATOM 1074 O GLN A 91 12.175 11.688 8.566 1.00 0.00 O ATOM 1075 CB GLN A 91 11.784 8.842 9.964 1.00 0.00 C ATOM 1076 CG GLN A 91 10.629 8.374 10.833 1.00 0.00 C ATOM 1077 CD GLN A 91 11.095 7.689 12.102 1.00 0.00 C ATOM 1078 OE1 GLN A 91 11.303 6.381 12.027 1.00 0.00 O flip ATOM 1079 NE2 GLN A 91 11.264 8.330 13.140 1.00 0.00 N flip ATOM 0 H GLN A 91 11.464 7.453 7.954 1.00 0.00 H new ATOM 0 HA GLN A 91 10.356 9.886 8.745 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.450 8.000 9.776 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.360 9.589 10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.006 9.229 11.094 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.005 7.687 10.262 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.092 9.335 13.152 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.576 7.856 13.987 1.00 0.00 H new ATOM 1088 N GLU A 92 13.313 10.139 7.396 1.00 0.00 N ATOM 1089 CA GLU A 92 14.312 11.083 6.910 1.00 0.00 C ATOM 1090 C GLU A 92 13.728 11.979 5.824 1.00 0.00 C ATOM 1091 O GLU A 92 14.023 13.173 5.765 1.00 0.00 O ATOM 1092 CB GLU A 92 15.531 10.334 6.370 1.00 0.00 C ATOM 1093 CG GLU A 92 16.373 9.679 7.453 1.00 0.00 C ATOM 1094 CD GLU A 92 17.729 10.338 7.618 1.00 0.00 C ATOM 1095 OE1 GLU A 92 18.667 9.960 6.885 1.00 0.00 O ATOM 1096 OE2 GLU A 92 17.854 11.233 8.481 1.00 0.00 O ATOM 0 H GLU A 92 13.448 9.180 7.076 1.00 0.00 H new ATOM 0 HA GLU A 92 14.622 11.710 7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.196 9.569 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.154 11.029 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.836 9.721 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.513 8.625 7.212 1.00 0.00 H new ATOM 1103 N VAL A 93 12.896 11.396 4.966 1.00 0.00 N ATOM 1104 CA VAL A 93 12.270 12.144 3.882 1.00 0.00 C ATOM 1105 C VAL A 93 11.399 13.272 4.426 1.00 0.00 C ATOM 1106 O VAL A 93 10.885 13.189 5.541 1.00 0.00 O ATOM 1107 CB VAL A 93 11.406 11.231 2.991 1.00 0.00 C ATOM 1108 CG1 VAL A 93 10.950 11.978 1.747 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.169 9.969 2.615 1.00 0.00 C ATOM 0 H VAL A 93 12.640 10.409 5.001 1.00 0.00 H new ATOM 0 HA VAL A 93 13.077 12.565 3.282 1.00 0.00 H new ATOM 0 HB VAL A 93 10.522 10.936 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.341 11.318 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.361 12.847 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.821 12.305 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.541 9.338 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.073 10.239 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.440 9.424 3.520 1.00 0.00 H new ATOM 1119 N LYS A 94 11.234 14.324 3.630 1.00 0.00 N ATOM 1120 CA LYS A 94 10.423 15.467 4.034 1.00 0.00 C ATOM 1121 C LYS A 94 9.541 15.940 2.883 1.00 0.00 C ATOM 1122 O LYS A 94 9.876 15.753 1.713 1.00 0.00 O ATOM 1123 CB LYS A 94 11.319 16.611 4.510 1.00 0.00 C ATOM 1124 CG LYS A 94 11.865 16.411 5.914 1.00 0.00 C ATOM 1125 CD LYS A 94 10.911 16.952 6.966 1.00 0.00 C ATOM 1126 CE LYS A 94 11.650 17.361 8.231 1.00 0.00 C ATOM 1127 NZ LYS A 94 11.219 18.701 8.717 1.00 0.00 N ATOM 0 H LYS A 94 11.651 14.408 2.703 1.00 0.00 H new ATOM 0 HA LYS A 94 9.780 15.154 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.153 16.721 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.753 17.542 4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.038 15.349 6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.829 16.911 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.373 17.811 6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.166 16.194 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.475 16.619 9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.723 17.373 8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.746 18.943 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.409 19.414 7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.200 18.683 8.926 1.00 0.00 H new ATOM 1141 N GLY A 95 8.411 16.552 3.223 1.00 0.00 N ATOM 1142 CA GLY A 95 7.499 17.041 2.208 1.00 0.00 C ATOM 1143 C GLY A 95 6.587 15.953 1.677 1.00 0.00 C ATOM 1144 O GLY A 95 6.111 15.109 2.437 1.00 0.00 O ATOM 0 H GLY A 95 8.112 16.718 4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.894 17.847 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.072 17.466 1.383 1.00 0.00 H new ATOM 1148 N GLU A 96 6.342 15.972 0.371 1.00 0.00 N ATOM 1149 CA GLU A 96 5.480 14.978 -0.258 1.00 0.00 C ATOM 1150 C GLU A 96 6.252 13.696 -0.552 1.00 0.00 C ATOM 1151 O GLU A 96 6.932 13.589 -1.573 1.00 0.00 O ATOM 1152 CB GLU A 96 4.878 15.536 -1.549 1.00 0.00 C ATOM 1153 CG GLU A 96 5.915 15.902 -2.600 1.00 0.00 C ATOM 1154 CD GLU A 96 5.451 17.020 -3.512 1.00 0.00 C ATOM 1155 OE1 GLU A 96 4.908 18.020 -2.997 1.00 0.00 O ATOM 1156 OE2 GLU A 96 5.629 16.895 -4.742 1.00 0.00 O ATOM 0 H GLU A 96 6.728 16.664 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 96 4.673 14.742 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.193 14.799 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.287 16.421 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.839 16.202 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.146 15.021 -3.199 1.00 0.00 H new ATOM 1163 N VAL A 97 6.142 12.726 0.350 1.00 0.00 N ATOM 1164 CA VAL A 97 6.830 11.451 0.188 1.00 0.00 C ATOM 1165 C VAL A 97 6.083 10.546 -0.785 1.00 0.00 C ATOM 1166 O VAL A 97 4.874 10.680 -0.968 1.00 0.00 O ATOM 1167 CB VAL A 97 6.985 10.723 1.537 1.00 0.00 C ATOM 1168 CG1 VAL A 97 7.837 9.473 1.376 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.581 11.651 2.583 1.00 0.00 C ATOM 0 H VAL A 97 5.583 12.799 1.200 1.00 0.00 H new ATOM 0 HA VAL A 97 7.820 11.671 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 97 5.995 10.419 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.935 8.973 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.362 8.798 0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.825 9.751 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.682 11.117 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.562 11.990 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 97 6.927 12.512 2.721 1.00 0.00 H new ATOM 1179 N THR A 98 6.812 9.627 -1.411 1.00 0.00 N ATOM 1180 CA THR A 98 6.215 8.702 -2.366 1.00 0.00 C ATOM 1181 C THR A 98 6.644 7.268 -2.075 1.00 0.00 C ATOM 1182 O THR A 98 7.819 6.999 -1.831 1.00 0.00 O ATOM 1183 CB THR A 98 6.610 9.084 -3.793 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.284 10.436 -4.059 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.936 8.233 -4.849 1.00 0.00 C ATOM 0 H THR A 98 7.815 9.504 -1.274 1.00 0.00 H new ATOM 0 HA THR A 98 5.131 8.766 -2.267 1.00 0.00 H new ATOM 0 HB THR A 98 7.686 8.919 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.546 10.661 -4.976 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.260 8.557 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.208 7.188 -4.702 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.854 8.341 -4.768 1.00 0.00 H new ATOM 1193 N ILE A 99 5.683 6.350 -2.105 1.00 0.00 N ATOM 1194 CA ILE A 99 5.960 4.943 -1.844 1.00 0.00 C ATOM 1195 C ILE A 99 5.353 4.056 -2.928 1.00 0.00 C ATOM 1196 O ILE A 99 4.196 4.233 -3.312 1.00 0.00 O ATOM 1197 CB ILE A 99 5.418 4.507 -0.466 1.00 0.00 C ATOM 1198 CG1 ILE A 99 6.040 5.360 0.641 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.694 3.031 -0.220 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.292 6.648 0.907 1.00 0.00 C ATOM 0 H ILE A 99 4.705 6.556 -2.308 1.00 0.00 H new ATOM 0 HA ILE A 99 7.044 4.826 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 99 4.338 4.656 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.078 4.776 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.069 5.597 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.303 2.746 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.208 2.436 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.769 2.852 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.790 7.200 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.276 7.253 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.270 6.419 1.209 1.00 0.00 H new ATOM 1212 N HIS A 100 6.141 3.105 -3.416 1.00 0.00 N ATOM 1213 CA HIS A 100 5.684 2.191 -4.456 1.00 0.00 C ATOM 1214 C HIS A 100 5.241 0.862 -3.854 1.00 0.00 C ATOM 1215 O HIS A 100 6.067 0.006 -3.535 1.00 0.00 O ATOM 1216 CB HIS A 100 6.795 1.954 -5.480 1.00 0.00 C ATOM 1217 CG HIS A 100 7.468 3.212 -5.935 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.381 3.688 -7.227 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.241 4.098 -5.262 1.00 0.00 C ATOM 1220 CE1 HIS A 100 8.072 4.809 -7.329 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.602 5.080 -6.151 1.00 0.00 N ATOM 0 H HIS A 100 7.100 2.947 -3.108 1.00 0.00 H new ATOM 0 HA HIS A 100 4.829 2.647 -4.956 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.542 1.289 -5.046 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.376 1.442 -6.346 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.864 3.243 -7.985 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.521 4.042 -4.220 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.184 5.403 -8.224 1.00 0.00 H new ATOM 1230 N TYR A 101 3.931 0.695 -3.699 1.00 0.00 N ATOM 1231 CA TYR A 101 3.378 -0.529 -3.135 1.00 0.00 C ATOM 1232 C TYR A 101 2.788 -1.415 -4.229 1.00 0.00 C ATOM 1233 O TYR A 101 2.604 -0.976 -5.364 1.00 0.00 O ATOM 1234 CB TYR A 101 2.304 -0.198 -2.097 1.00 0.00 C ATOM 1235 CG TYR A 101 1.104 0.517 -2.672 1.00 0.00 C ATOM 1236 CD1 TYR A 101 1.123 1.890 -2.883 1.00 0.00 C ATOM 1237 CD2 TYR A 101 -0.050 -0.182 -3.007 1.00 0.00 C ATOM 1238 CE1 TYR A 101 0.027 2.548 -3.407 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.151 0.468 -3.534 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.107 1.832 -3.732 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.200 2.482 -4.256 1.00 0.00 O ATOM 0 H TYR A 101 3.233 1.393 -3.957 1.00 0.00 H new ATOM 0 HA TYR A 101 4.188 -1.073 -2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.973 -1.122 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.745 0.421 -1.316 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.010 2.453 -2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.087 -1.250 -2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.058 3.616 -3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.040 -0.089 -3.789 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.375 3.296 -3.740 1.00 0.00 H new ATOM 1251 N ASN A 102 2.492 -2.662 -3.878 1.00 0.00 N ATOM 1252 CA ASN A 102 1.923 -3.609 -4.830 1.00 0.00 C ATOM 1253 C ASN A 102 0.634 -4.218 -4.286 1.00 0.00 C ATOM 1254 O ASN A 102 0.643 -4.900 -3.261 1.00 0.00 O ATOM 1255 CB ASN A 102 2.930 -4.717 -5.143 1.00 0.00 C ATOM 1256 CG ASN A 102 4.320 -4.177 -5.419 1.00 0.00 C ATOM 1257 OD1 ASN A 102 5.313 -4.691 -4.902 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.398 -3.134 -6.238 1.00 0.00 N ATOM 0 H ASN A 102 2.637 -3.040 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 102 1.691 -3.068 -5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.973 -5.412 -4.304 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.585 -5.283 -6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.307 -2.727 -6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.549 -2.740 -6.644 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.471 -3.973 -4.981 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.765 -4.500 -4.568 1.00 0.00 C ATOM 1267 C LYS A 103 -1.902 -5.970 -4.955 1.00 0.00 C ATOM 1268 O LYS A 103 -1.820 -6.321 -6.132 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.899 -3.689 -5.200 1.00 0.00 C ATOM 1270 CG LYS A 103 -2.782 -2.191 -4.962 1.00 0.00 C ATOM 1271 CD LYS A 103 -3.387 -1.396 -6.109 1.00 0.00 C ATOM 1272 CE LYS A 103 -4.244 -0.247 -5.601 1.00 0.00 C ATOM 1273 NZ LYS A 103 -4.537 0.743 -6.673 1.00 0.00 N ATOM 0 H LYS A 103 -0.496 -3.413 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.831 -4.418 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.915 -3.878 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.851 -4.039 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.285 -1.929 -4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.733 -1.921 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.590 -1.005 -6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.993 -2.056 -6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.180 -0.640 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.733 0.251 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.123 1.510 -6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -3.645 1.137 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.048 0.274 -7.448 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.109 -6.822 -3.958 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.255 -8.253 -4.193 1.00 0.00 C ATOM 1289 C LEU A 104 -3.703 -8.691 -3.994 1.00 0.00 C ATOM 1290 O LEU A 104 -4.445 -8.084 -3.222 1.00 0.00 O ATOM 1291 CB LEU A 104 -1.337 -9.043 -3.258 1.00 0.00 C ATOM 1292 CG LEU A 104 0.156 -8.936 -3.575 1.00 0.00 C ATOM 1293 CD1 LEU A 104 0.966 -8.789 -2.296 1.00 0.00 C ATOM 1294 CD2 LEU A 104 0.621 -10.151 -4.364 1.00 0.00 C ATOM 0 H LEU A 104 -2.180 -6.546 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.970 -8.457 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.502 -8.700 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.626 -10.093 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 104 0.315 -8.047 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.025 -8.714 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.652 -7.889 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.802 -9.659 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.685 -10.058 -4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.447 -11.054 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.064 -10.213 -5.299 1.00 0.00 H new TER 1306 LEU A 104 ATOM 1307 N GLU B 121 9.146 -9.093 14.072 1.00 0.00 N ATOM 1308 CA GLU B 121 9.677 -7.750 14.268 1.00 0.00 C ATOM 1309 C GLU B 121 9.196 -6.809 13.168 1.00 0.00 C ATOM 1310 O GLU B 121 9.250 -7.141 11.983 1.00 0.00 O ATOM 1311 CB GLU B 121 11.207 -7.785 14.297 1.00 0.00 C ATOM 1312 CG GLU B 121 11.793 -7.549 15.680 1.00 0.00 C ATOM 1313 CD GLU B 121 12.218 -8.835 16.360 1.00 0.00 C ATOM 1314 OE1 GLU B 121 11.344 -9.523 16.929 1.00 0.00 O ATOM 1315 OE2 GLU B 121 13.425 -9.155 16.325 1.00 0.00 O ATOM 0 HA GLU B 121 9.311 -7.376 15.224 1.00 0.00 H new ATOM 0 HB2 GLU B 121 11.547 -8.752 13.927 1.00 0.00 H new ATOM 0 HB3 GLU B 121 11.593 -7.029 13.614 1.00 0.00 H new ATOM 0 HG2 GLU B 121 12.653 -6.885 15.598 1.00 0.00 H new ATOM 0 HG3 GLU B 121 11.056 -7.040 16.301 1.00 0.00 H new ATOM 1322 N SER B 122 8.726 -5.631 13.568 1.00 0.00 N ATOM 1323 CA SER B 122 8.236 -4.640 12.618 1.00 0.00 C ATOM 1324 C SER B 122 8.650 -3.233 13.040 1.00 0.00 C ATOM 1325 O SER B 122 9.080 -3.015 14.173 1.00 0.00 O ATOM 1326 CB SER B 122 6.712 -4.723 12.503 1.00 0.00 C ATOM 1327 OG SER B 122 6.136 -5.213 13.700 1.00 0.00 O ATOM 0 H SER B 122 8.675 -5.340 14.544 1.00 0.00 H new ATOM 0 HA SER B 122 8.679 -4.854 11.645 1.00 0.00 H new ATOM 0 HB2 SER B 122 6.307 -3.736 12.278 1.00 0.00 H new ATOM 0 HB3 SER B 122 6.442 -5.375 11.672 1.00 0.00 H new ATOM 0 HG SER B 122 5.162 -5.255 13.601 1.00 0.00 H new ATOM 1333 N VAL B 123 8.520 -2.283 12.120 1.00 0.00 N ATOM 1334 CA VAL B 123 8.881 -0.898 12.398 1.00 0.00 C ATOM 1335 C VAL B 123 7.771 0.056 11.969 1.00 0.00 C ATOM 1336 O VAL B 123 7.264 -0.029 10.851 1.00 0.00 O ATOM 1337 CB VAL B 123 10.186 -0.504 11.680 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.653 0.870 12.135 1.00 0.00 C ATOM 1339 CG2 VAL B 123 11.265 -1.549 11.925 1.00 0.00 C ATOM 0 H VAL B 123 8.168 -2.447 11.177 1.00 0.00 H new ATOM 0 HA VAL B 123 9.028 -0.819 13.475 1.00 0.00 H new ATOM 0 HB VAL B 123 9.990 -0.459 10.609 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.576 1.131 11.617 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.886 1.610 11.905 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.832 0.856 13.210 1.00 0.00 H new ATOM 0 HG21 VAL B 123 12.180 -1.255 11.411 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.459 -1.628 12.995 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.930 -2.514 11.545 1.00 0.00 H new ATOM 1349 N LYS B 124 7.400 0.962 12.867 1.00 0.00 N ATOM 1350 CA LYS B 124 6.348 1.933 12.583 1.00 0.00 C ATOM 1351 C LYS B 124 6.941 3.294 12.231 1.00 0.00 C ATOM 1352 O LYS B 124 7.699 3.871 13.009 1.00 0.00 O ATOM 1353 CB LYS B 124 5.411 2.068 13.785 1.00 0.00 C ATOM 1354 CG LYS B 124 3.982 2.415 13.405 1.00 0.00 C ATOM 1355 CD LYS B 124 3.850 3.875 13.004 1.00 0.00 C ATOM 1356 CE LYS B 124 4.101 4.803 14.183 1.00 0.00 C ATOM 1357 NZ LYS B 124 5.459 5.409 14.136 1.00 0.00 N ATOM 0 H LYS B 124 7.811 1.045 13.797 1.00 0.00 H new ATOM 0 HA LYS B 124 5.779 1.573 11.726 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.413 1.132 14.344 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.798 2.838 14.452 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.659 1.780 12.580 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.320 2.206 14.246 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.558 4.099 12.206 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.852 4.055 12.605 1.00 0.00 H new ATOM 0 HE2 LYS B 124 3.351 5.594 14.188 1.00 0.00 H new ATOM 0 HE3 LYS B 124 3.984 4.247 15.113 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 5.426 6.366 14.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 6.120 4.823 14.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 5.782 5.462 13.149 1.00 0.00 H new ATOM 1371 N ILE B 125 6.589 3.800 11.055 1.00 0.00 N ATOM 1372 CA ILE B 125 7.084 5.094 10.599 1.00 0.00 C ATOM 1373 C ILE B 125 5.972 5.909 9.948 1.00 0.00 C ATOM 1374 O ILE B 125 6.291 6.918 9.283 1.00 0.00 O ATOM 1375 CB ILE B 125 8.241 4.931 9.595 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.794 4.090 8.398 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.447 4.300 10.276 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.046 4.882 7.350 1.00 0.00 C ATOM 1379 OXT ILE B 125 4.792 5.532 10.106 1.00 0.00 O ATOM 0 H ILE B 125 5.962 3.334 10.399 1.00 0.00 H new ATOM 0 HA ILE B 125 7.449 5.621 11.480 1.00 0.00 H new ATOM 0 HB ILE B 125 8.529 5.917 9.231 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.670 3.631 7.939 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.158 3.279 8.752 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.257 4.191 9.554 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.776 4.937 11.097 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.173 3.319 10.665 1.00 0.00 H new ATOM 0 HD11 ILE B 125 6.760 4.222 6.531 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.151 5.319 7.794 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.687 5.677 6.969 1.00 0.00 H new TER 1391 ILE B 125