USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 855 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 46 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0599) 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 35:sc= -1.03 USER MOD Single : A 5 LYS NZ :NH3+ 141:sc= -1.19 (180deg=-2.31!) USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= -1.09 (180deg=-1.55) USER MOD Single : A 8 HIS : no HE2:sc= 0.478 K(o=0.48,f=-3.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00438) USER MOD Single : A 26 MET CE :methyl -111:sc= -0.674 (180deg=-2.49!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 133:sc= -2.47! (180deg=-3.15) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 41 THR OG1 : rot 100:sc= -0.458 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 30:sc= 0 USER MOD Single : A 59 SER OG : rot 140:sc= -0.411 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -1.48 (180deg=-2.42) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0.869 (180deg=0.856) USER MOD Single : A 65 MET CE :methyl -121:sc= -0.914 (180deg=-2.97!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.616 F(o=-2.4,f=-0.62) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -5.39! C(o=-5.4!,f=-8.7!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0891 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 180:sc= -0.307 USER MOD Single : A 93 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl -107:sc= -0.109 (180deg=-1.12) USER MOD Single : A 100 ASN : amide:sc= -1.43 K(o=-1.4,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.072 19.082 -20.250 1.00 0.00 N ATOM 2 CA ALA A 1 -1.662 17.670 -19.990 1.00 0.00 C ATOM 3 C ALA A 1 -0.443 17.319 -20.852 1.00 0.00 C ATOM 4 O ALA A 1 -0.443 17.518 -22.055 1.00 0.00 O ATOM 5 CB ALA A 1 -2.821 16.728 -20.333 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.899 19.317 -19.664 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.286 19.721 -20.013 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.317 19.193 -21.255 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.403 17.558 -18.937 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.521 15.698 -20.143 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.685 16.974 -19.715 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.083 16.841 -21.385 1.00 0.00 H new ATOM 13 N THR A 2 0.596 16.797 -20.240 1.00 0.00 N ATOM 14 CA THR A 2 1.827 16.426 -21.006 1.00 0.00 C ATOM 15 C THR A 2 2.124 14.932 -20.816 1.00 0.00 C ATOM 16 O THR A 2 1.800 14.351 -19.794 1.00 0.00 O ATOM 17 CB THR A 2 3.021 17.254 -20.505 1.00 0.00 C ATOM 18 OG1 THR A 2 3.133 17.129 -19.092 1.00 0.00 O ATOM 19 CG2 THR A 2 2.817 18.725 -20.873 1.00 0.00 C ATOM 0 H THR A 2 0.642 16.612 -19.238 1.00 0.00 H new ATOM 0 HA THR A 2 1.664 16.631 -22.064 1.00 0.00 H new ATOM 0 HB THR A 2 3.934 16.886 -20.973 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.896 17.657 -18.776 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.665 19.310 -20.517 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.739 18.822 -21.956 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.902 19.093 -20.409 1.00 0.00 H new ATOM 27 N SER A 3 2.743 14.312 -21.794 1.00 0.00 N ATOM 28 CA SER A 3 3.072 12.858 -21.684 1.00 0.00 C ATOM 29 C SER A 3 4.260 12.676 -20.730 1.00 0.00 C ATOM 30 O SER A 3 5.409 12.801 -21.119 1.00 0.00 O ATOM 31 CB SER A 3 3.423 12.303 -23.068 1.00 0.00 C ATOM 32 OG SER A 3 2.228 11.938 -23.748 1.00 0.00 O ATOM 0 H SER A 3 3.035 14.754 -22.666 1.00 0.00 H new ATOM 0 HA SER A 3 2.210 12.317 -21.293 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.968 13.051 -23.644 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.077 11.437 -22.969 1.00 0.00 H new ATOM 0 HG SER A 3 2.451 11.584 -24.634 1.00 0.00 H new ATOM 38 N THR A 4 3.982 12.387 -19.480 1.00 0.00 N ATOM 39 CA THR A 4 5.078 12.197 -18.479 1.00 0.00 C ATOM 40 C THR A 4 4.840 10.893 -17.691 1.00 0.00 C ATOM 41 O THR A 4 5.214 10.776 -16.535 1.00 0.00 O ATOM 42 CB THR A 4 5.101 13.411 -17.530 1.00 0.00 C ATOM 43 OG1 THR A 4 6.257 13.349 -16.707 1.00 0.00 O ATOM 44 CG2 THR A 4 3.845 13.419 -16.651 1.00 0.00 C ATOM 0 H THR A 4 3.038 12.274 -19.110 1.00 0.00 H new ATOM 0 HA THR A 4 6.041 12.121 -18.985 1.00 0.00 H new ATOM 0 HB THR A 4 5.124 14.325 -18.124 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.001 12.966 -17.217 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.873 14.281 -15.985 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.959 13.477 -17.283 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.809 12.504 -16.059 1.00 0.00 H new ATOM 52 N LYS A 5 4.224 9.912 -18.314 1.00 0.00 N ATOM 53 CA LYS A 5 3.958 8.616 -17.617 1.00 0.00 C ATOM 54 C LYS A 5 4.951 7.549 -18.094 1.00 0.00 C ATOM 55 O LYS A 5 5.224 7.422 -19.276 1.00 0.00 O ATOM 56 CB LYS A 5 2.527 8.159 -17.918 1.00 0.00 C ATOM 57 CG LYS A 5 1.856 7.691 -16.623 1.00 0.00 C ATOM 58 CD LYS A 5 0.796 6.633 -16.945 1.00 0.00 C ATOM 59 CE LYS A 5 1.472 5.280 -17.179 1.00 0.00 C ATOM 60 NZ LYS A 5 1.840 4.666 -15.870 1.00 0.00 N ATOM 0 H LYS A 5 3.894 9.957 -19.278 1.00 0.00 H new ATOM 0 HA LYS A 5 4.078 8.757 -16.543 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.958 8.977 -18.360 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.539 7.349 -18.647 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.602 7.278 -15.944 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.396 8.538 -16.114 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.083 6.557 -16.124 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.232 6.927 -17.830 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.801 4.618 -17.726 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.363 5.410 -17.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.666 3.641 -15.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.847 4.839 -15.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.264 5.089 -15.114 1.00 0.00 H new ATOM 74 N LYS A 6 5.485 6.783 -17.174 1.00 0.00 N ATOM 75 CA LYS A 6 6.466 5.704 -17.534 1.00 0.00 C ATOM 76 C LYS A 6 6.824 4.893 -16.278 1.00 0.00 C ATOM 77 O LYS A 6 6.979 3.686 -16.341 1.00 0.00 O ATOM 78 CB LYS A 6 7.741 6.321 -18.131 1.00 0.00 C ATOM 79 CG LYS A 6 8.217 7.500 -17.276 1.00 0.00 C ATOM 80 CD LYS A 6 9.328 8.249 -18.017 1.00 0.00 C ATOM 81 CE LYS A 6 9.542 9.620 -17.373 1.00 0.00 C ATOM 82 NZ LYS A 6 10.436 9.482 -16.187 1.00 0.00 N ATOM 0 H LYS A 6 5.282 6.858 -16.177 1.00 0.00 H new ATOM 0 HA LYS A 6 6.012 5.047 -18.276 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.525 5.566 -18.189 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.547 6.657 -19.149 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.385 8.173 -17.069 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.584 7.141 -16.314 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.253 7.673 -17.985 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.062 8.367 -19.068 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.983 10.307 -18.095 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.584 10.045 -17.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.942 10.376 -16.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.866 9.253 -15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.124 8.721 -16.357 1.00 0.00 H new ATOM 96 N LEU A 7 6.947 5.556 -15.144 1.00 0.00 N ATOM 97 CA LEU A 7 7.283 4.865 -13.852 1.00 0.00 C ATOM 98 C LEU A 7 8.771 4.483 -13.825 1.00 0.00 C ATOM 99 O LEU A 7 9.271 3.822 -14.718 1.00 0.00 O ATOM 100 CB LEU A 7 6.413 3.609 -13.666 1.00 0.00 C ATOM 101 CG LEU A 7 4.939 3.936 -13.940 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.295 2.785 -14.717 1.00 0.00 C ATOM 103 CD2 LEU A 7 4.200 4.124 -12.611 1.00 0.00 C ATOM 0 H LEU A 7 6.826 6.565 -15.061 1.00 0.00 H new ATOM 0 HA LEU A 7 7.079 5.553 -13.032 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.749 2.822 -14.341 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.525 3.228 -12.651 1.00 0.00 H new ATOM 0 HG LEU A 7 4.876 4.853 -14.526 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.248 3.018 -14.911 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.818 2.648 -15.664 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.360 1.869 -14.130 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.153 4.356 -12.806 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.265 3.207 -12.026 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.655 4.943 -12.054 1.00 0.00 H new ATOM 115 N HIS A 8 9.479 4.904 -12.796 1.00 0.00 N ATOM 116 CA HIS A 8 10.938 4.582 -12.681 1.00 0.00 C ATOM 117 C HIS A 8 11.105 3.158 -12.113 1.00 0.00 C ATOM 118 O HIS A 8 10.456 2.242 -12.571 1.00 0.00 O ATOM 119 CB HIS A 8 11.613 5.617 -11.767 1.00 0.00 C ATOM 120 CG HIS A 8 11.602 6.968 -12.433 1.00 0.00 C ATOM 121 ND1 HIS A 8 10.756 7.987 -12.024 1.00 0.00 N ATOM 122 CD2 HIS A 8 12.330 7.483 -13.476 1.00 0.00 C ATOM 123 CE1 HIS A 8 10.994 9.053 -12.809 1.00 0.00 C ATOM 124 NE2 HIS A 8 11.944 8.800 -13.712 1.00 0.00 N ATOM 0 H HIS A 8 9.103 5.460 -12.028 1.00 0.00 H new ATOM 0 HA HIS A 8 11.410 4.621 -13.663 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.091 5.668 -10.812 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.638 5.314 -11.554 1.00 0.00 H new ATOM 0 HD1 HIS A 8 10.076 7.937 -11.265 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.087 6.948 -14.030 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.479 9.998 -12.720 1.00 0.00 H new ATOM 132 N LYS A 9 11.968 2.956 -11.131 1.00 0.00 N ATOM 133 CA LYS A 9 12.164 1.582 -10.554 1.00 0.00 C ATOM 134 C LYS A 9 13.151 1.654 -9.375 1.00 0.00 C ATOM 135 O LYS A 9 14.192 2.281 -9.467 1.00 0.00 O ATOM 136 CB LYS A 9 12.709 0.638 -11.638 1.00 0.00 C ATOM 137 CG LYS A 9 13.876 1.303 -12.376 1.00 0.00 C ATOM 138 CD LYS A 9 14.988 0.277 -12.613 1.00 0.00 C ATOM 139 CE LYS A 9 15.413 0.310 -14.082 1.00 0.00 C ATOM 140 NZ LYS A 9 16.657 -0.493 -14.261 1.00 0.00 N ATOM 0 H LYS A 9 12.542 3.685 -10.708 1.00 0.00 H new ATOM 0 HA LYS A 9 11.208 1.199 -10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.040 -0.296 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.918 0.387 -12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.533 1.709 -13.328 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.259 2.140 -11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.842 0.497 -11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.639 -0.721 -12.348 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.617 -0.089 -14.710 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.584 1.339 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.945 -0.470 -15.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.416 -0.093 -13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.479 -1.477 -13.975 1.00 0.00 H new ATOM 154 N GLU A 10 12.828 1.020 -8.264 1.00 0.00 N ATOM 155 CA GLU A 10 13.731 1.049 -7.076 1.00 0.00 C ATOM 156 C GLU A 10 13.311 -0.072 -6.124 1.00 0.00 C ATOM 157 O GLU A 10 12.139 -0.226 -5.854 1.00 0.00 O ATOM 158 CB GLU A 10 13.600 2.402 -6.367 1.00 0.00 C ATOM 159 CG GLU A 10 14.894 2.720 -5.611 1.00 0.00 C ATOM 160 CD GLU A 10 14.813 4.133 -5.022 1.00 0.00 C ATOM 161 OE1 GLU A 10 15.111 5.073 -5.742 1.00 0.00 O ATOM 162 OE2 GLU A 10 14.456 4.252 -3.861 1.00 0.00 O ATOM 0 H GLU A 10 11.970 0.483 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 10 14.767 0.909 -7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.392 3.186 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.759 2.380 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.050 1.992 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.748 2.644 -6.284 1.00 0.00 H new ATOM 169 N PRO A 11 14.260 -0.828 -5.637 1.00 0.00 N ATOM 170 CA PRO A 11 13.960 -1.933 -4.711 1.00 0.00 C ATOM 171 C PRO A 11 13.219 -1.427 -3.466 1.00 0.00 C ATOM 172 O PRO A 11 13.287 -0.263 -3.110 1.00 0.00 O ATOM 173 CB PRO A 11 15.320 -2.529 -4.350 1.00 0.00 C ATOM 174 CG PRO A 11 16.384 -1.816 -5.221 1.00 0.00 C ATOM 175 CD PRO A 11 15.687 -0.663 -5.962 1.00 0.00 C ATOM 0 HA PRO A 11 13.302 -2.676 -5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.533 -2.386 -3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.330 -3.603 -4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.195 -1.436 -4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.827 -2.514 -5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.061 0.306 -5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.859 -0.720 -7.037 1.00 0.00 H new ATOM 183 N ALA A 12 12.499 -2.309 -2.816 1.00 0.00 N ATOM 184 CA ALA A 12 11.722 -1.924 -1.603 1.00 0.00 C ATOM 185 C ALA A 12 11.774 -3.069 -0.575 1.00 0.00 C ATOM 186 O ALA A 12 12.676 -3.890 -0.595 1.00 0.00 O ATOM 187 CB ALA A 12 10.270 -1.656 -2.009 1.00 0.00 C ATOM 0 H ALA A 12 12.418 -3.291 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 12 12.149 -1.026 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.692 -1.373 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.240 -0.846 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.843 -2.557 -2.449 1.00 0.00 H new ATOM 193 N THR A 13 10.805 -3.139 0.312 1.00 0.00 N ATOM 194 CA THR A 13 10.777 -4.233 1.329 1.00 0.00 C ATOM 195 C THR A 13 9.317 -4.501 1.701 1.00 0.00 C ATOM 196 O THR A 13 8.603 -3.611 2.129 1.00 0.00 O ATOM 197 CB THR A 13 11.586 -3.824 2.572 1.00 0.00 C ATOM 198 OG1 THR A 13 11.441 -4.814 3.583 1.00 0.00 O ATOM 199 CG2 THR A 13 11.091 -2.479 3.101 1.00 0.00 C ATOM 0 H THR A 13 10.030 -2.479 0.372 1.00 0.00 H new ATOM 0 HA THR A 13 11.227 -5.138 0.922 1.00 0.00 H new ATOM 0 HB THR A 13 12.637 -3.734 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.958 -4.553 4.373 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.670 -2.199 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.211 -1.718 2.330 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.038 -2.559 3.370 1.00 0.00 H new ATOM 207 N LEU A 14 8.862 -5.714 1.505 1.00 0.00 N ATOM 208 CA LEU A 14 7.436 -6.044 1.810 1.00 0.00 C ATOM 209 C LEU A 14 7.074 -5.719 3.265 1.00 0.00 C ATOM 210 O LEU A 14 7.611 -6.275 4.205 1.00 0.00 O ATOM 211 CB LEU A 14 7.131 -7.527 1.485 1.00 0.00 C ATOM 212 CG LEU A 14 7.837 -8.544 2.417 1.00 0.00 C ATOM 213 CD1 LEU A 14 9.238 -8.076 2.832 1.00 0.00 C ATOM 214 CD2 LEU A 14 6.977 -8.788 3.663 1.00 0.00 C ATOM 0 H LEU A 14 9.418 -6.491 1.146 1.00 0.00 H new ATOM 0 HA LEU A 14 6.814 -5.417 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.054 -7.685 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.427 -7.729 0.456 1.00 0.00 H new ATOM 0 HG LEU A 14 7.957 -9.473 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.692 -8.822 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.856 -7.946 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.162 -7.127 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.477 -9.504 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.835 -7.848 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.007 -9.186 3.364 1.00 0.00 H new ATOM 226 N ILE A 15 6.142 -4.817 3.447 1.00 0.00 N ATOM 227 CA ILE A 15 5.705 -4.460 4.828 1.00 0.00 C ATOM 228 C ILE A 15 4.313 -5.057 5.060 1.00 0.00 C ATOM 229 O ILE A 15 4.111 -5.840 5.971 1.00 0.00 O ATOM 230 CB ILE A 15 5.652 -2.936 5.007 1.00 0.00 C ATOM 231 CG1 ILE A 15 7.026 -2.327 4.712 1.00 0.00 C ATOM 232 CG2 ILE A 15 5.255 -2.606 6.449 1.00 0.00 C ATOM 233 CD1 ILE A 15 6.894 -0.805 4.605 1.00 0.00 C ATOM 0 H ILE A 15 5.666 -4.314 2.698 1.00 0.00 H new ATOM 0 HA ILE A 15 6.418 -4.859 5.549 1.00 0.00 H new ATOM 0 HB ILE A 15 4.918 -2.522 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.729 -2.588 5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.425 -2.735 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.217 -1.524 6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.275 -3.031 6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.991 -3.027 7.134 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.871 -0.369 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.204 -0.555 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.513 -0.406 5.545 1.00 0.00 H new ATOM 245 N LYS A 16 3.356 -4.701 4.227 1.00 0.00 N ATOM 246 CA LYS A 16 1.970 -5.250 4.375 1.00 0.00 C ATOM 247 C LYS A 16 1.085 -4.769 3.219 1.00 0.00 C ATOM 248 O LYS A 16 0.718 -3.610 3.146 1.00 0.00 O ATOM 249 CB LYS A 16 1.340 -4.804 5.705 1.00 0.00 C ATOM 250 CG LYS A 16 1.839 -3.412 6.114 1.00 0.00 C ATOM 251 CD LYS A 16 0.646 -2.465 6.277 1.00 0.00 C ATOM 252 CE LYS A 16 0.185 -2.461 7.738 1.00 0.00 C ATOM 253 NZ LYS A 16 -0.895 -3.473 7.926 1.00 0.00 N ATOM 0 H LYS A 16 3.479 -4.052 3.450 1.00 0.00 H new ATOM 0 HA LYS A 16 2.039 -6.338 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.254 -4.791 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.583 -5.525 6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.397 -3.475 7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.524 -3.024 5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.925 -1.457 5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.172 -2.780 5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.025 -2.685 8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.179 -1.471 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.206 -3.468 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.700 -3.240 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.533 -4.417 7.681 1.00 0.00 H new ATOM 267 N ALA A 17 0.727 -5.662 2.324 1.00 0.00 N ATOM 268 CA ALA A 17 -0.154 -5.274 1.179 1.00 0.00 C ATOM 269 C ALA A 17 -1.560 -4.990 1.709 1.00 0.00 C ATOM 270 O ALA A 17 -2.260 -5.875 2.167 1.00 0.00 O ATOM 271 CB ALA A 17 -0.201 -6.409 0.152 1.00 0.00 C ATOM 0 H ALA A 17 1.008 -6.642 2.339 1.00 0.00 H new ATOM 0 HA ALA A 17 0.242 -4.381 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.844 -6.121 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.805 -6.606 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.597 -7.309 0.622 1.00 0.00 H new ATOM 277 N ILE A 18 -1.958 -3.746 1.659 1.00 0.00 N ATOM 278 CA ILE A 18 -3.302 -3.342 2.164 1.00 0.00 C ATOM 279 C ILE A 18 -4.395 -3.843 1.207 1.00 0.00 C ATOM 280 O ILE A 18 -5.281 -4.577 1.604 1.00 0.00 O ATOM 281 CB ILE A 18 -3.333 -1.815 2.260 1.00 0.00 C ATOM 282 CG1 ILE A 18 -2.535 -1.366 3.493 1.00 0.00 C ATOM 283 CG2 ILE A 18 -4.778 -1.317 2.382 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.380 -0.462 3.057 1.00 0.00 C ATOM 0 H ILE A 18 -1.398 -2.981 1.283 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.487 -3.780 3.145 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.889 -1.396 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.186 -0.832 4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.149 -2.235 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.783 -0.229 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.346 -1.629 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.234 -1.738 3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.815 -0.145 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.724 -1.011 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.777 0.414 2.545 1.00 0.00 H new ATOM 296 N ASP A 19 -4.337 -3.448 -0.046 1.00 0.00 N ATOM 297 CA ASP A 19 -5.365 -3.889 -1.037 1.00 0.00 C ATOM 298 C ASP A 19 -4.704 -4.037 -2.420 1.00 0.00 C ATOM 299 O ASP A 19 -3.499 -4.196 -2.520 1.00 0.00 O ATOM 300 CB ASP A 19 -6.490 -2.845 -1.088 1.00 0.00 C ATOM 301 CG ASP A 19 -7.411 -3.020 0.125 1.00 0.00 C ATOM 302 OD1 ASP A 19 -8.049 -4.059 0.221 1.00 0.00 O ATOM 303 OD2 ASP A 19 -7.468 -2.112 0.937 1.00 0.00 O ATOM 0 H ASP A 19 -3.615 -2.835 -0.423 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.786 -4.851 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.067 -1.840 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.061 -2.956 -2.010 1.00 0.00 H new ATOM 308 N GLY A 20 -5.479 -3.998 -3.482 1.00 0.00 N ATOM 309 CA GLY A 20 -4.904 -4.137 -4.860 1.00 0.00 C ATOM 310 C GLY A 20 -3.840 -3.056 -5.087 1.00 0.00 C ATOM 311 O GLY A 20 -2.659 -3.296 -4.906 1.00 0.00 O ATOM 0 H GLY A 20 -6.491 -3.875 -3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.463 -5.126 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.694 -4.046 -5.605 1.00 0.00 H new ATOM 315 N ASP A 21 -4.246 -1.867 -5.481 1.00 0.00 N ATOM 316 CA ASP A 21 -3.261 -0.771 -5.716 1.00 0.00 C ATOM 317 C ASP A 21 -2.615 -0.348 -4.396 1.00 0.00 C ATOM 318 O ASP A 21 -1.494 0.104 -4.386 1.00 0.00 O ATOM 319 CB ASP A 21 -3.966 0.451 -6.323 1.00 0.00 C ATOM 320 CG ASP A 21 -4.727 0.063 -7.608 1.00 0.00 C ATOM 321 OD1 ASP A 21 -4.317 -0.878 -8.274 1.00 0.00 O ATOM 322 OD2 ASP A 21 -5.705 0.725 -7.909 1.00 0.00 O ATOM 0 H ASP A 21 -5.220 -1.614 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.498 -1.141 -6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.661 0.873 -5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.232 1.225 -6.549 1.00 0.00 H new ATOM 327 N THR A 22 -3.318 -0.479 -3.289 1.00 0.00 N ATOM 328 CA THR A 22 -2.744 -0.055 -1.972 1.00 0.00 C ATOM 329 C THR A 22 -1.739 -1.103 -1.476 1.00 0.00 C ATOM 330 O THR A 22 -2.066 -2.265 -1.320 1.00 0.00 O ATOM 331 CB THR A 22 -3.872 0.103 -0.944 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.967 0.799 -1.531 1.00 0.00 O ATOM 333 CG2 THR A 22 -3.361 0.883 0.270 1.00 0.00 C ATOM 0 H THR A 22 -4.263 -0.861 -3.245 1.00 0.00 H new ATOM 0 HA THR A 22 -2.232 0.899 -2.098 1.00 0.00 H new ATOM 0 HB THR A 22 -4.203 -0.885 -0.625 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.685 0.896 -0.871 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.166 0.993 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.531 0.344 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.022 1.869 -0.047 1.00 0.00 H new ATOM 341 N VAL A 23 -0.510 -0.694 -1.242 1.00 0.00 N ATOM 342 CA VAL A 23 0.539 -1.658 -0.771 1.00 0.00 C ATOM 343 C VAL A 23 1.538 -0.953 0.156 1.00 0.00 C ATOM 344 O VAL A 23 1.970 0.153 -0.113 1.00 0.00 O ATOM 345 CB VAL A 23 1.283 -2.239 -1.982 1.00 0.00 C ATOM 346 CG1 VAL A 23 0.393 -3.264 -2.689 1.00 0.00 C ATOM 347 CG2 VAL A 23 1.644 -1.117 -2.963 1.00 0.00 C ATOM 0 H VAL A 23 -0.189 0.267 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 23 0.054 -2.462 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 23 2.197 -2.723 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.923 -3.675 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.144 -4.069 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.523 -2.779 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.171 -1.538 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.733 -0.625 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.284 -0.390 -2.464 1.00 0.00 H new ATOM 357 N LYS A 24 1.910 -1.592 1.247 1.00 0.00 N ATOM 358 CA LYS A 24 2.880 -0.966 2.198 1.00 0.00 C ATOM 359 C LYS A 24 4.285 -1.549 1.979 1.00 0.00 C ATOM 360 O LYS A 24 4.500 -2.745 2.086 1.00 0.00 O ATOM 361 CB LYS A 24 2.427 -1.243 3.633 1.00 0.00 C ATOM 362 CG LYS A 24 3.190 -0.340 4.606 1.00 0.00 C ATOM 363 CD LYS A 24 2.224 0.669 5.237 1.00 0.00 C ATOM 364 CE LYS A 24 2.603 0.893 6.703 1.00 0.00 C ATOM 365 NZ LYS A 24 1.376 1.194 7.496 1.00 0.00 N ATOM 0 H LYS A 24 1.581 -2.519 1.515 1.00 0.00 H new ATOM 0 HA LYS A 24 2.913 0.109 2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.355 -1.067 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.601 -2.290 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.661 -0.942 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.988 0.185 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.261 1.613 4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.200 0.301 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.097 0.007 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.312 1.717 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.630 1.313 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.941 2.070 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.700 0.409 7.401 1.00 0.00 H new ATOM 379 N LEU A 25 5.242 -0.701 1.678 1.00 0.00 N ATOM 380 CA LEU A 25 6.653 -1.161 1.456 1.00 0.00 C ATOM 381 C LEU A 25 7.607 0.035 1.603 1.00 0.00 C ATOM 382 O LEU A 25 7.197 1.180 1.520 1.00 0.00 O ATOM 383 CB LEU A 25 6.802 -1.757 0.052 1.00 0.00 C ATOM 384 CG LEU A 25 6.293 -0.760 -0.983 1.00 0.00 C ATOM 385 CD1 LEU A 25 7.259 -0.705 -2.165 1.00 0.00 C ATOM 386 CD2 LEU A 25 4.913 -1.198 -1.462 1.00 0.00 C ATOM 0 H LEU A 25 5.103 0.304 1.575 1.00 0.00 H new ATOM 0 HA LEU A 25 6.897 -1.925 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.847 -1.997 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.242 -2.689 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 25 6.226 0.231 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.891 0.009 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.243 -0.392 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.333 -1.692 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.543 -0.489 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.981 -2.189 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.227 -1.229 -0.615 1.00 0.00 H new ATOM 398 N MET A 26 8.875 -0.223 1.807 1.00 0.00 N ATOM 399 CA MET A 26 9.859 0.899 1.943 1.00 0.00 C ATOM 400 C MET A 26 10.674 0.996 0.654 1.00 0.00 C ATOM 401 O MET A 26 11.582 0.218 0.426 1.00 0.00 O ATOM 402 CB MET A 26 10.805 0.648 3.126 1.00 0.00 C ATOM 403 CG MET A 26 10.000 0.312 4.380 1.00 0.00 C ATOM 404 SD MET A 26 11.111 0.214 5.805 1.00 0.00 S ATOM 405 CE MET A 26 10.615 -1.431 6.372 1.00 0.00 C ATOM 0 H MET A 26 9.272 -1.159 1.885 1.00 0.00 H new ATOM 0 HA MET A 26 9.319 1.829 2.122 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.485 -0.171 2.891 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.419 1.531 3.304 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.239 1.073 4.551 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.478 -0.636 4.247 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.080 -1.344 7.318 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.965 -1.891 5.628 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.501 -2.050 6.512 1.00 0.00 H new ATOM 415 N TYR A 27 10.353 1.944 -0.192 1.00 0.00 N ATOM 416 CA TYR A 27 11.105 2.095 -1.475 1.00 0.00 C ATOM 417 C TYR A 27 12.450 2.788 -1.203 1.00 0.00 C ATOM 418 O TYR A 27 13.441 2.506 -1.853 1.00 0.00 O ATOM 419 CB TYR A 27 10.263 2.918 -2.471 1.00 0.00 C ATOM 420 CG TYR A 27 10.512 4.398 -2.281 1.00 0.00 C ATOM 421 CD1 TYR A 27 9.922 5.080 -1.210 1.00 0.00 C ATOM 422 CD2 TYR A 27 11.341 5.083 -3.176 1.00 0.00 C ATOM 423 CE1 TYR A 27 10.164 6.447 -1.035 1.00 0.00 C ATOM 424 CE2 TYR A 27 11.582 6.449 -3.001 1.00 0.00 C ATOM 425 CZ TYR A 27 10.993 7.132 -1.931 1.00 0.00 C ATOM 426 OH TYR A 27 11.232 8.480 -1.757 1.00 0.00 O ATOM 0 H TYR A 27 9.602 2.620 -0.049 1.00 0.00 H new ATOM 0 HA TYR A 27 11.298 1.113 -1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.513 2.630 -3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.205 2.700 -2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.281 4.552 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.795 4.556 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.711 6.974 -0.208 1.00 0.00 H new ATOM 0 HE2 TYR A 27 12.223 6.977 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 27 11.829 8.800 -2.465 1.00 0.00 H new ATOM 436 N LYS A 28 12.490 3.680 -0.237 1.00 0.00 N ATOM 437 CA LYS A 28 13.759 4.386 0.100 1.00 0.00 C ATOM 438 C LYS A 28 13.986 4.303 1.615 1.00 0.00 C ATOM 439 O LYS A 28 14.348 5.272 2.261 1.00 0.00 O ATOM 440 CB LYS A 28 13.660 5.851 -0.347 1.00 0.00 C ATOM 441 CG LYS A 28 15.057 6.477 -0.392 1.00 0.00 C ATOM 442 CD LYS A 28 15.078 7.746 0.464 1.00 0.00 C ATOM 443 CE LYS A 28 16.503 8.305 0.519 1.00 0.00 C ATOM 444 NZ LYS A 28 16.603 9.507 -0.359 1.00 0.00 N ATOM 0 H LYS A 28 11.688 3.947 0.333 1.00 0.00 H new ATOM 0 HA LYS A 28 14.599 3.919 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.194 5.910 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.024 6.408 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.797 5.766 -0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.327 6.715 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.400 8.490 0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.725 7.524 1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.762 8.569 1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.215 7.546 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.571 9.885 -0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.373 9.242 -1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.934 10.233 -0.031 1.00 0.00 H new ATOM 458 N GLY A 29 13.767 3.140 2.185 1.00 0.00 N ATOM 459 CA GLY A 29 13.954 2.967 3.656 1.00 0.00 C ATOM 460 C GLY A 29 12.832 3.685 4.419 1.00 0.00 C ATOM 461 O GLY A 29 12.940 3.913 5.611 1.00 0.00 O ATOM 0 H GLY A 29 13.465 2.301 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.955 1.907 3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.922 3.367 3.957 1.00 0.00 H new ATOM 465 N GLN A 30 11.759 4.047 3.744 1.00 0.00 N ATOM 466 CA GLN A 30 10.638 4.753 4.430 1.00 0.00 C ATOM 467 C GLN A 30 9.334 3.954 4.265 1.00 0.00 C ATOM 468 O GLN A 30 8.804 3.862 3.171 1.00 0.00 O ATOM 469 CB GLN A 30 10.470 6.150 3.820 1.00 0.00 C ATOM 470 CG GLN A 30 9.597 7.011 4.738 1.00 0.00 C ATOM 471 CD GLN A 30 9.974 8.486 4.570 1.00 0.00 C ATOM 472 OE1 GLN A 30 10.573 9.075 5.448 1.00 0.00 O ATOM 473 NE2 GLN A 30 9.646 9.112 3.472 1.00 0.00 N ATOM 0 H GLN A 30 11.618 3.881 2.748 1.00 0.00 H new ATOM 0 HA GLN A 30 10.865 4.843 5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.445 6.618 3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.013 6.074 2.833 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.544 6.865 4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.732 6.707 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.143 8.619 2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.893 10.094 3.352 1.00 0.00 H new ATOM 482 N PRO A 31 8.855 3.403 5.363 1.00 0.00 N ATOM 483 CA PRO A 31 7.606 2.610 5.375 1.00 0.00 C ATOM 484 C PRO A 31 6.412 3.501 5.007 1.00 0.00 C ATOM 485 O PRO A 31 6.024 4.376 5.763 1.00 0.00 O ATOM 486 CB PRO A 31 7.478 2.096 6.817 1.00 0.00 C ATOM 487 CG PRO A 31 8.659 2.681 7.632 1.00 0.00 C ATOM 488 CD PRO A 31 9.520 3.520 6.674 1.00 0.00 C ATOM 0 HA PRO A 31 7.624 1.793 4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.526 2.403 7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.501 1.006 6.838 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.289 3.297 8.452 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.251 1.880 8.076 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.573 4.559 6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.543 3.146 6.633 1.00 0.00 H new ATOM 496 N MET A 32 5.839 3.289 3.847 1.00 0.00 N ATOM 497 CA MET A 32 4.676 4.124 3.410 1.00 0.00 C ATOM 498 C MET A 32 3.645 3.242 2.683 1.00 0.00 C ATOM 499 O MET A 32 3.638 2.035 2.831 1.00 0.00 O ATOM 500 CB MET A 32 5.175 5.228 2.467 1.00 0.00 C ATOM 501 CG MET A 32 6.184 6.116 3.203 1.00 0.00 C ATOM 502 SD MET A 32 6.582 7.553 2.178 1.00 0.00 S ATOM 503 CE MET A 32 7.645 6.696 0.992 1.00 0.00 C ATOM 0 H MET A 32 6.128 2.571 3.182 1.00 0.00 H new ATOM 0 HA MET A 32 4.202 4.576 4.282 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.640 4.785 1.586 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.335 5.828 2.117 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.771 6.440 4.158 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.090 5.551 3.423 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.365 6.983 -0.021 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.685 6.969 1.172 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.527 5.619 1.110 1.00 0.00 H new ATOM 513 N THR A 33 2.782 3.841 1.895 1.00 0.00 N ATOM 514 CA THR A 33 1.755 3.063 1.148 1.00 0.00 C ATOM 515 C THR A 33 1.619 3.685 -0.243 1.00 0.00 C ATOM 516 O THR A 33 1.641 4.895 -0.395 1.00 0.00 O ATOM 517 CB THR A 33 0.412 3.107 1.897 1.00 0.00 C ATOM 518 OG1 THR A 33 -0.569 2.389 1.158 1.00 0.00 O ATOM 519 CG2 THR A 33 -0.043 4.557 2.081 1.00 0.00 C ATOM 0 H THR A 33 2.750 4.849 1.739 1.00 0.00 H new ATOM 0 HA THR A 33 2.052 2.018 1.062 1.00 0.00 H new ATOM 0 HB THR A 33 0.538 2.649 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.424 2.416 1.637 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.995 4.575 2.612 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.705 5.103 2.657 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.163 5.027 1.105 1.00 0.00 H new ATOM 527 N PHE A 34 1.517 2.872 -1.260 1.00 0.00 N ATOM 528 CA PHE A 34 1.425 3.421 -2.643 1.00 0.00 C ATOM 529 C PHE A 34 0.139 2.935 -3.305 1.00 0.00 C ATOM 530 O PHE A 34 -0.136 1.756 -3.315 1.00 0.00 O ATOM 531 CB PHE A 34 2.640 2.945 -3.455 1.00 0.00 C ATOM 532 CG PHE A 34 3.903 3.057 -2.624 1.00 0.00 C ATOM 533 CD1 PHE A 34 4.129 2.166 -1.567 1.00 0.00 C ATOM 534 CD2 PHE A 34 4.836 4.058 -2.900 1.00 0.00 C ATOM 535 CE1 PHE A 34 5.284 2.280 -0.788 1.00 0.00 C ATOM 536 CE2 PHE A 34 5.995 4.168 -2.121 1.00 0.00 C ATOM 537 CZ PHE A 34 6.218 3.280 -1.065 1.00 0.00 C ATOM 0 H PHE A 34 1.493 1.854 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 34 1.415 4.510 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.494 1.912 -3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.738 3.543 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.409 1.389 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.664 4.747 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.454 1.594 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.718 4.941 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.111 3.367 -0.464 1.00 0.00 H new ATOM 547 N ARG A 35 -0.655 3.837 -3.848 1.00 0.00 N ATOM 548 CA ARG A 35 -1.935 3.421 -4.508 1.00 0.00 C ATOM 549 C ARG A 35 -1.909 3.761 -6.007 1.00 0.00 C ATOM 550 O ARG A 35 -2.396 2.999 -6.815 1.00 0.00 O ATOM 551 CB ARG A 35 -3.129 4.129 -3.843 1.00 0.00 C ATOM 552 CG ARG A 35 -2.840 5.625 -3.700 1.00 0.00 C ATOM 553 CD ARG A 35 -4.144 6.407 -3.506 1.00 0.00 C ATOM 554 NE ARG A 35 -4.835 5.962 -2.262 1.00 0.00 N ATOM 555 CZ ARG A 35 -5.723 6.738 -1.696 1.00 0.00 C ATOM 556 NH1 ARG A 35 -5.402 7.959 -1.352 1.00 0.00 N ATOM 557 NH2 ARG A 35 -6.928 6.290 -1.462 1.00 0.00 N ATOM 0 H ARG A 35 -0.469 4.840 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.042 2.342 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.029 3.980 -4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.321 3.692 -2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.178 5.794 -2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.320 5.987 -4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.931 7.474 -3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.797 6.257 -4.366 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.616 5.054 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.459 8.306 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.095 8.563 -0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.176 5.335 -1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.620 6.895 -1.021 1.00 0.00 H new ATOM 571 N LEU A 36 -1.364 4.903 -6.381 1.00 0.00 N ATOM 572 CA LEU A 36 -1.328 5.308 -7.827 1.00 0.00 C ATOM 573 C LEU A 36 -2.769 5.574 -8.292 1.00 0.00 C ATOM 574 O LEU A 36 -3.226 6.703 -8.286 1.00 0.00 O ATOM 575 CB LEU A 36 -0.682 4.192 -8.667 1.00 0.00 C ATOM 576 CG LEU A 36 -0.559 4.635 -10.128 1.00 0.00 C ATOM 577 CD1 LEU A 36 0.703 4.020 -10.733 1.00 0.00 C ATOM 578 CD2 LEU A 36 -1.786 4.158 -10.913 1.00 0.00 C ATOM 0 H LEU A 36 -0.941 5.574 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.732 6.212 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.303 3.950 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.283 3.285 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.499 5.722 -10.178 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.797 4.331 -11.773 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.576 4.356 -10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.637 2.933 -10.684 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.698 4.474 -11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.847 3.071 -10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.687 4.590 -10.478 1.00 0.00 H new ATOM 590 N LEU A 37 -3.491 4.540 -8.653 1.00 0.00 N ATOM 591 CA LEU A 37 -4.913 4.707 -9.074 1.00 0.00 C ATOM 592 C LEU A 37 -5.811 4.435 -7.857 1.00 0.00 C ATOM 593 O LEU A 37 -6.965 4.820 -7.833 1.00 0.00 O ATOM 594 CB LEU A 37 -5.242 3.710 -10.191 1.00 0.00 C ATOM 595 CG LEU A 37 -6.456 4.204 -10.982 1.00 0.00 C ATOM 596 CD1 LEU A 37 -5.984 4.963 -12.225 1.00 0.00 C ATOM 597 CD2 LEU A 37 -7.308 3.006 -11.409 1.00 0.00 C ATOM 0 H LEU A 37 -3.150 3.579 -8.673 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.079 5.718 -9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.385 3.597 -10.855 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.448 2.728 -9.766 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.050 4.869 -10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.849 5.314 -12.787 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.378 5.816 -11.922 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.389 4.299 -12.852 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.173 3.357 -11.972 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.713 2.341 -12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.646 2.466 -10.524 1.00 0.00 H new ATOM 609 N LEU A 38 -5.268 3.773 -6.849 1.00 0.00 N ATOM 610 CA LEU A 38 -6.035 3.452 -5.609 1.00 0.00 C ATOM 611 C LEU A 38 -7.079 2.371 -5.908 1.00 0.00 C ATOM 612 O LEU A 38 -7.876 2.485 -6.823 1.00 0.00 O ATOM 613 CB LEU A 38 -6.677 4.735 -5.036 1.00 0.00 C ATOM 614 CG LEU A 38 -8.119 4.485 -4.570 1.00 0.00 C ATOM 615 CD1 LEU A 38 -8.111 3.649 -3.285 1.00 0.00 C ATOM 616 CD2 LEU A 38 -8.801 5.829 -4.296 1.00 0.00 C ATOM 0 H LEU A 38 -4.304 3.439 -6.844 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.359 3.058 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.081 5.098 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.670 5.517 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.662 3.946 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.136 3.474 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.623 2.693 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.568 4.184 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.825 5.657 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.254 6.363 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.810 6.425 -5.209 1.00 0.00 H new ATOM 628 N VAL A 39 -7.049 1.314 -5.133 1.00 0.00 N ATOM 629 CA VAL A 39 -7.997 0.181 -5.311 1.00 0.00 C ATOM 630 C VAL A 39 -9.447 0.663 -5.060 1.00 0.00 C ATOM 631 O VAL A 39 -9.755 1.834 -5.190 1.00 0.00 O ATOM 632 CB VAL A 39 -7.582 -0.928 -4.320 1.00 0.00 C ATOM 633 CG1 VAL A 39 -8.197 -0.673 -2.938 1.00 0.00 C ATOM 634 CG2 VAL A 39 -8.033 -2.294 -4.848 1.00 0.00 C ATOM 0 H VAL A 39 -6.388 1.191 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.963 -0.209 -6.328 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.496 -0.920 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.894 -1.465 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.851 0.288 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.284 -0.661 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.737 -3.072 -4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.117 -2.300 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.566 -2.483 -5.815 1.00 0.00 H new ATOM 644 N ASP A 40 -10.337 -0.231 -4.714 1.00 0.00 N ATOM 645 CA ASP A 40 -11.758 0.172 -4.469 1.00 0.00 C ATOM 646 C ASP A 40 -12.410 -0.784 -3.454 1.00 0.00 C ATOM 647 O ASP A 40 -13.454 -1.363 -3.708 1.00 0.00 O ATOM 648 CB ASP A 40 -12.520 0.137 -5.804 1.00 0.00 C ATOM 649 CG ASP A 40 -13.858 0.872 -5.669 1.00 0.00 C ATOM 650 OD1 ASP A 40 -13.838 2.070 -5.426 1.00 0.00 O ATOM 651 OD2 ASP A 40 -14.881 0.226 -5.817 1.00 0.00 O ATOM 0 H ASP A 40 -10.143 -1.225 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.791 1.181 -4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.919 0.601 -6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.693 -0.896 -6.105 1.00 0.00 H new ATOM 656 N THR A 41 -11.800 -0.951 -2.303 1.00 0.00 N ATOM 657 CA THR A 41 -12.367 -1.858 -1.265 1.00 0.00 C ATOM 658 C THR A 41 -13.506 -1.145 -0.507 1.00 0.00 C ATOM 659 O THR A 41 -14.606 -1.665 -0.452 1.00 0.00 O ATOM 660 CB THR A 41 -11.265 -2.280 -0.279 1.00 0.00 C ATOM 661 OG1 THR A 41 -9.989 -2.192 -0.904 1.00 0.00 O ATOM 662 CG2 THR A 41 -11.513 -3.716 0.167 1.00 0.00 C ATOM 0 H THR A 41 -10.927 -0.492 -2.041 1.00 0.00 H new ATOM 0 HA THR A 41 -12.768 -2.747 -1.752 1.00 0.00 H new ATOM 0 HB THR A 41 -11.284 -1.615 0.585 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.548 -1.360 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.734 -4.019 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.485 -3.783 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.498 -4.375 -0.701 1.00 0.00 H new ATOM 670 N PRO A 42 -13.222 0.023 0.054 1.00 0.00 N ATOM 671 CA PRO A 42 -14.236 0.797 0.803 1.00 0.00 C ATOM 672 C PRO A 42 -15.352 1.252 -0.147 1.00 0.00 C ATOM 673 O PRO A 42 -15.129 2.052 -1.040 1.00 0.00 O ATOM 674 CB PRO A 42 -13.476 2.008 1.366 1.00 0.00 C ATOM 675 CG PRO A 42 -12.020 1.934 0.844 1.00 0.00 C ATOM 676 CD PRO A 42 -11.889 0.661 -0.005 1.00 0.00 C ATOM 0 HA PRO A 42 -14.707 0.213 1.593 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.949 2.937 1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.493 1.997 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.782 2.816 0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.317 1.912 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.610 0.898 -1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.117 0.000 0.390 1.00 0.00 H new ATOM 684 N GLU A 43 -16.547 0.737 0.031 1.00 0.00 N ATOM 685 CA GLU A 43 -17.678 1.127 -0.865 1.00 0.00 C ATOM 686 C GLU A 43 -18.897 1.533 -0.024 1.00 0.00 C ATOM 687 O GLU A 43 -19.758 0.722 0.268 1.00 0.00 O ATOM 688 CB GLU A 43 -18.039 -0.055 -1.773 1.00 0.00 C ATOM 689 CG GLU A 43 -16.962 -0.228 -2.851 1.00 0.00 C ATOM 690 CD GLU A 43 -17.060 0.915 -3.869 1.00 0.00 C ATOM 691 OE1 GLU A 43 -17.828 0.783 -4.809 1.00 0.00 O ATOM 692 OE2 GLU A 43 -16.360 1.902 -3.693 1.00 0.00 O ATOM 0 H GLU A 43 -16.785 0.063 0.759 1.00 0.00 H new ATOM 0 HA GLU A 43 -17.377 1.976 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -18.125 -0.967 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -19.009 0.115 -2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.973 -0.236 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -17.088 -1.187 -3.354 1.00 0.00 H new ATOM 699 N THR A 44 -18.967 2.793 0.354 1.00 0.00 N ATOM 700 CA THR A 44 -20.119 3.305 1.170 1.00 0.00 C ATOM 701 C THR A 44 -20.128 2.645 2.558 1.00 0.00 C ATOM 702 O THR A 44 -20.384 1.462 2.697 1.00 0.00 O ATOM 703 CB THR A 44 -21.447 3.013 0.448 1.00 0.00 C ATOM 704 OG1 THR A 44 -21.390 3.524 -0.878 1.00 0.00 O ATOM 705 CG2 THR A 44 -22.600 3.682 1.201 1.00 0.00 C ATOM 0 H THR A 44 -18.264 3.497 0.128 1.00 0.00 H new ATOM 0 HA THR A 44 -20.005 4.382 1.293 1.00 0.00 H new ATOM 0 HB THR A 44 -21.610 1.936 0.417 1.00 0.00 H new ATOM 0 HG1 THR A 44 -22.235 3.336 -1.338 1.00 0.00 H new ATOM 0 HG21 THR A 44 -23.539 3.474 0.688 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.647 3.290 2.217 1.00 0.00 H new ATOM 0 HG23 THR A 44 -22.436 4.759 1.235 1.00 0.00 H new ATOM 713 N LYS A 45 -19.862 3.415 3.588 1.00 0.00 N ATOM 714 CA LYS A 45 -19.864 2.855 4.974 1.00 0.00 C ATOM 715 C LYS A 45 -21.312 2.759 5.471 1.00 0.00 C ATOM 716 O LYS A 45 -21.998 3.757 5.606 1.00 0.00 O ATOM 717 CB LYS A 45 -19.058 3.769 5.903 1.00 0.00 C ATOM 718 CG LYS A 45 -17.567 3.456 5.760 1.00 0.00 C ATOM 719 CD LYS A 45 -16.760 4.378 6.677 1.00 0.00 C ATOM 720 CE LYS A 45 -15.263 4.174 6.422 1.00 0.00 C ATOM 721 NZ LYS A 45 -14.809 5.096 5.341 1.00 0.00 N ATOM 0 H LYS A 45 -19.643 4.409 3.526 1.00 0.00 H new ATOM 0 HA LYS A 45 -19.410 1.864 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -19.246 4.814 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.373 3.624 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.377 2.414 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.254 3.591 4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.032 5.418 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.994 4.166 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.699 4.363 7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.070 3.140 6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.793 4.956 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.338 4.895 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.979 6.080 5.630 1.00 0.00 H new ATOM 735 N HIS A 46 -21.780 1.562 5.732 1.00 0.00 N ATOM 736 CA HIS A 46 -23.188 1.383 6.209 1.00 0.00 C ATOM 737 C HIS A 46 -23.235 1.441 7.745 1.00 0.00 C ATOM 738 O HIS A 46 -22.276 1.085 8.407 1.00 0.00 O ATOM 739 CB HIS A 46 -23.719 0.028 5.731 1.00 0.00 C ATOM 740 CG HIS A 46 -23.896 0.059 4.236 1.00 0.00 C ATOM 741 ND1 HIS A 46 -22.862 -0.241 3.363 1.00 0.00 N ATOM 742 CD2 HIS A 46 -24.977 0.361 3.446 1.00 0.00 C ATOM 743 CE1 HIS A 46 -23.339 -0.115 2.112 1.00 0.00 C ATOM 744 NE2 HIS A 46 -24.623 0.250 2.105 1.00 0.00 N ATOM 0 H HIS A 46 -21.246 0.699 5.635 1.00 0.00 H new ATOM 0 HA HIS A 46 -23.808 2.183 5.804 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -23.026 -0.765 6.010 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -24.669 -0.194 6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -25.954 0.642 3.810 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -22.754 -0.288 1.221 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -25.217 0.413 1.292 1.00 0.00 H new ATOM 752 N PRO A 47 -24.361 1.890 8.262 1.00 0.00 N ATOM 753 CA PRO A 47 -24.575 2.010 9.721 1.00 0.00 C ATOM 754 C PRO A 47 -24.455 0.636 10.397 1.00 0.00 C ATOM 755 O PRO A 47 -23.814 0.500 11.423 1.00 0.00 O ATOM 756 CB PRO A 47 -26.001 2.562 9.866 1.00 0.00 C ATOM 757 CG PRO A 47 -26.584 2.746 8.441 1.00 0.00 C ATOM 758 CD PRO A 47 -25.507 2.312 7.435 1.00 0.00 C ATOM 0 HA PRO A 47 -23.835 2.656 10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -26.619 1.877 10.446 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.991 3.512 10.400 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.486 2.147 8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.866 3.786 8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -25.861 1.496 6.805 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.234 3.132 6.771 1.00 0.00 H new ATOM 766 N LYS A 48 -25.065 -0.378 9.825 1.00 0.00 N ATOM 767 CA LYS A 48 -24.991 -1.749 10.424 1.00 0.00 C ATOM 768 C LYS A 48 -23.573 -2.318 10.256 1.00 0.00 C ATOM 769 O LYS A 48 -22.843 -1.939 9.354 1.00 0.00 O ATOM 770 CB LYS A 48 -26.005 -2.671 9.732 1.00 0.00 C ATOM 771 CG LYS A 48 -25.653 -2.820 8.246 1.00 0.00 C ATOM 772 CD LYS A 48 -26.936 -3.007 7.432 1.00 0.00 C ATOM 773 CE LYS A 48 -26.712 -2.515 6.000 1.00 0.00 C ATOM 774 NZ LYS A 48 -27.222 -1.119 5.865 1.00 0.00 N ATOM 0 H LYS A 48 -25.612 -0.313 8.967 1.00 0.00 H new ATOM 0 HA LYS A 48 -25.226 -1.688 11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -26.007 -3.649 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -27.010 -2.263 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -25.115 -1.938 7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -24.991 -3.674 8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -27.224 -4.058 7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -27.755 -2.455 7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -25.651 -2.551 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -27.224 -3.170 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -26.993 -0.756 4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -28.253 -1.112 5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.775 -0.515 6.584 1.00 0.00 H new ATOM 788 N LYS A 49 -23.184 -3.226 11.121 1.00 0.00 N ATOM 789 CA LYS A 49 -21.818 -3.831 11.028 1.00 0.00 C ATOM 790 C LYS A 49 -21.747 -4.769 9.816 1.00 0.00 C ATOM 791 O LYS A 49 -22.611 -5.605 9.615 1.00 0.00 O ATOM 792 CB LYS A 49 -21.519 -4.626 12.305 1.00 0.00 C ATOM 793 CG LYS A 49 -21.092 -3.667 13.420 1.00 0.00 C ATOM 794 CD LYS A 49 -19.894 -4.254 14.173 1.00 0.00 C ATOM 795 CE LYS A 49 -20.380 -5.310 15.171 1.00 0.00 C ATOM 796 NZ LYS A 49 -19.621 -6.577 14.970 1.00 0.00 N ATOM 0 H LYS A 49 -23.757 -3.574 11.890 1.00 0.00 H new ATOM 0 HA LYS A 49 -21.082 -3.035 10.913 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -22.402 -5.186 12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.730 -5.354 12.116 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.829 -2.697 12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -21.921 -3.501 14.108 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.193 -4.701 13.468 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.358 -3.463 14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.243 -4.951 16.191 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.447 -5.488 15.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.953 -7.292 15.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.773 -6.923 14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.607 -6.402 15.120 1.00 0.00 H new ATOM 810 N GLY A 50 -20.720 -4.630 9.008 1.00 0.00 N ATOM 811 CA GLY A 50 -20.576 -5.503 7.802 1.00 0.00 C ATOM 812 C GLY A 50 -19.564 -6.616 8.089 1.00 0.00 C ATOM 813 O GLY A 50 -19.811 -7.496 8.894 1.00 0.00 O ATOM 0 H GLY A 50 -19.974 -3.946 9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -21.541 -5.935 7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -20.247 -4.910 6.949 1.00 0.00 H new ATOM 817 N VAL A 51 -18.427 -6.581 7.432 1.00 0.00 N ATOM 818 CA VAL A 51 -17.385 -7.632 7.653 1.00 0.00 C ATOM 819 C VAL A 51 -16.020 -7.111 7.179 1.00 0.00 C ATOM 820 O VAL A 51 -15.907 -6.483 6.139 1.00 0.00 O ATOM 821 CB VAL A 51 -17.763 -8.905 6.876 1.00 0.00 C ATOM 822 CG1 VAL A 51 -17.787 -8.618 5.371 1.00 0.00 C ATOM 823 CG2 VAL A 51 -16.740 -10.008 7.168 1.00 0.00 C ATOM 0 H VAL A 51 -18.177 -5.866 6.749 1.00 0.00 H new ATOM 0 HA VAL A 51 -17.326 -7.869 8.715 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.754 -9.231 7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -18.056 -9.526 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.521 -7.840 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.801 -8.283 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -17.009 -10.909 6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -15.749 -9.676 6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -16.733 -10.225 8.236 1.00 0.00 H new ATOM 833 N GLU A 52 -14.984 -7.370 7.940 1.00 0.00 N ATOM 834 CA GLU A 52 -13.616 -6.900 7.554 1.00 0.00 C ATOM 835 C GLU A 52 -12.979 -7.908 6.588 1.00 0.00 C ATOM 836 O GLU A 52 -12.911 -9.091 6.867 1.00 0.00 O ATOM 837 CB GLU A 52 -12.746 -6.770 8.810 1.00 0.00 C ATOM 838 CG GLU A 52 -11.469 -5.991 8.476 1.00 0.00 C ATOM 839 CD GLU A 52 -10.275 -6.952 8.415 1.00 0.00 C ATOM 840 OE1 GLU A 52 -9.718 -7.242 9.462 1.00 0.00 O ATOM 841 OE2 GLU A 52 -9.938 -7.382 7.323 1.00 0.00 O ATOM 0 H GLU A 52 -15.028 -7.890 8.817 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.691 -5.929 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.300 -6.258 9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.491 -7.759 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.584 -5.478 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.292 -5.224 9.230 1.00 0.00 H new ATOM 848 N LYS A 53 -12.507 -7.437 5.455 1.00 0.00 N ATOM 849 CA LYS A 53 -11.865 -8.349 4.459 1.00 0.00 C ATOM 850 C LYS A 53 -10.416 -7.908 4.216 1.00 0.00 C ATOM 851 O LYS A 53 -10.120 -6.727 4.150 1.00 0.00 O ATOM 852 CB LYS A 53 -12.644 -8.297 3.140 1.00 0.00 C ATOM 853 CG LYS A 53 -12.370 -9.567 2.330 1.00 0.00 C ATOM 854 CD LYS A 53 -13.673 -10.348 2.136 1.00 0.00 C ATOM 855 CE LYS A 53 -14.006 -11.122 3.416 1.00 0.00 C ATOM 856 NZ LYS A 53 -13.449 -12.504 3.326 1.00 0.00 N ATOM 0 H LYS A 53 -12.541 -6.456 5.179 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.873 -9.368 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.711 -8.205 3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.350 -7.418 2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.943 -9.307 1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.637 -10.187 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.485 -9.664 1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.574 -11.038 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.590 -10.607 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.086 -11.163 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.676 -13.027 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.866 -12.994 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.417 -12.455 3.211 1.00 0.00 H new ATOM 870 N TYR A 54 -9.514 -8.852 4.081 1.00 0.00 N ATOM 871 CA TYR A 54 -8.077 -8.504 3.841 1.00 0.00 C ATOM 872 C TYR A 54 -7.896 -7.976 2.408 1.00 0.00 C ATOM 873 O TYR A 54 -7.123 -7.066 2.174 1.00 0.00 O ATOM 874 CB TYR A 54 -7.191 -9.744 4.066 1.00 0.00 C ATOM 875 CG TYR A 54 -7.446 -10.788 2.996 1.00 0.00 C ATOM 876 CD1 TYR A 54 -8.466 -11.733 3.164 1.00 0.00 C ATOM 877 CD2 TYR A 54 -6.659 -10.810 1.836 1.00 0.00 C ATOM 878 CE1 TYR A 54 -8.700 -12.696 2.176 1.00 0.00 C ATOM 879 CE2 TYR A 54 -6.893 -11.772 0.848 1.00 0.00 C ATOM 880 CZ TYR A 54 -7.913 -12.716 1.017 1.00 0.00 C ATOM 881 OH TYR A 54 -8.144 -13.666 0.043 1.00 0.00 O ATOM 0 H TYR A 54 -9.712 -9.851 4.127 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.778 -7.725 4.543 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.141 -9.453 4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.393 -10.168 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.073 -11.718 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.871 -10.083 1.705 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -9.487 -13.424 2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.287 -11.787 -0.046 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.093 -13.911 0.044 1.00 0.00 H new ATOM 891 N GLY A 55 -8.603 -8.540 1.452 1.00 0.00 N ATOM 892 CA GLY A 55 -8.477 -8.078 0.035 1.00 0.00 C ATOM 893 C GLY A 55 -9.643 -8.632 -0.798 1.00 0.00 C ATOM 894 O GLY A 55 -10.159 -9.695 -0.502 1.00 0.00 O ATOM 0 H GLY A 55 -9.264 -9.303 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.476 -6.989 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.528 -8.413 -0.383 1.00 0.00 H new ATOM 898 N PRO A 56 -10.023 -7.886 -1.816 1.00 0.00 N ATOM 899 CA PRO A 56 -11.135 -8.267 -2.721 1.00 0.00 C ATOM 900 C PRO A 56 -10.816 -9.568 -3.490 1.00 0.00 C ATOM 901 O PRO A 56 -10.012 -10.374 -3.064 1.00 0.00 O ATOM 902 CB PRO A 56 -11.277 -7.075 -3.684 1.00 0.00 C ATOM 903 CG PRO A 56 -10.273 -5.984 -3.234 1.00 0.00 C ATOM 904 CD PRO A 56 -9.387 -6.595 -2.140 1.00 0.00 C ATOM 0 HA PRO A 56 -12.056 -8.469 -2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.072 -7.385 -4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.296 -6.688 -3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.667 -5.650 -4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.802 -5.109 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.365 -6.735 -2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.337 -5.948 -1.264 1.00 0.00 H new ATOM 912 N GLU A 57 -11.468 -9.780 -4.610 1.00 0.00 N ATOM 913 CA GLU A 57 -11.240 -11.035 -5.409 1.00 0.00 C ATOM 914 C GLU A 57 -9.930 -10.946 -6.220 1.00 0.00 C ATOM 915 O GLU A 57 -8.918 -11.487 -5.813 1.00 0.00 O ATOM 916 CB GLU A 57 -12.432 -11.286 -6.352 1.00 0.00 C ATOM 917 CG GLU A 57 -12.919 -9.967 -6.970 1.00 0.00 C ATOM 918 CD GLU A 57 -14.323 -9.638 -6.454 1.00 0.00 C ATOM 919 OE1 GLU A 57 -15.281 -10.060 -7.083 1.00 0.00 O ATOM 920 OE2 GLU A 57 -14.418 -8.966 -5.438 1.00 0.00 O ATOM 0 H GLU A 57 -12.152 -9.137 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.152 -11.870 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.139 -11.977 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.245 -11.758 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.231 -9.161 -6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.931 -10.047 -8.057 1.00 0.00 H new ATOM 927 N ALA A 58 -9.937 -10.284 -7.361 1.00 0.00 N ATOM 928 CA ALA A 58 -8.694 -10.176 -8.190 1.00 0.00 C ATOM 929 C ALA A 58 -7.620 -9.406 -7.416 1.00 0.00 C ATOM 930 O ALA A 58 -6.447 -9.728 -7.486 1.00 0.00 O ATOM 931 CB ALA A 58 -9.011 -9.440 -9.495 1.00 0.00 C ATOM 0 H ALA A 58 -10.754 -9.814 -7.750 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.326 -11.176 -8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.106 -9.362 -10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.770 -9.993 -10.049 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.383 -8.441 -9.268 1.00 0.00 H new ATOM 937 N SER A 59 -8.018 -8.396 -6.675 1.00 0.00 N ATOM 938 CA SER A 59 -7.032 -7.600 -5.882 1.00 0.00 C ATOM 939 C SER A 59 -6.374 -8.494 -4.821 1.00 0.00 C ATOM 940 O SER A 59 -5.246 -8.259 -4.428 1.00 0.00 O ATOM 941 CB SER A 59 -7.751 -6.439 -5.198 1.00 0.00 C ATOM 942 OG SER A 59 -7.657 -5.280 -6.018 1.00 0.00 O ATOM 0 H SER A 59 -8.987 -8.090 -6.587 1.00 0.00 H new ATOM 0 HA SER A 59 -6.262 -7.211 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.797 -6.694 -5.027 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.306 -6.245 -4.222 1.00 0.00 H new ATOM 0 HG SER A 59 -8.510 -4.798 -6.002 1.00 0.00 H new ATOM 948 N ALA A 60 -7.063 -9.524 -4.365 1.00 0.00 N ATOM 949 CA ALA A 60 -6.457 -10.439 -3.340 1.00 0.00 C ATOM 950 C ALA A 60 -5.187 -11.075 -3.919 1.00 0.00 C ATOM 951 O ALA A 60 -4.178 -11.181 -3.249 1.00 0.00 O ATOM 952 CB ALA A 60 -7.452 -11.538 -2.962 1.00 0.00 C ATOM 0 H ALA A 60 -8.010 -9.766 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.209 -9.864 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.002 -12.196 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.354 -11.086 -2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.710 -12.116 -3.849 1.00 0.00 H new ATOM 958 N PHE A 61 -5.230 -11.478 -5.171 1.00 0.00 N ATOM 959 CA PHE A 61 -4.027 -12.088 -5.821 1.00 0.00 C ATOM 960 C PHE A 61 -2.959 -11.003 -5.996 1.00 0.00 C ATOM 961 O PHE A 61 -1.777 -11.256 -5.858 1.00 0.00 O ATOM 962 CB PHE A 61 -4.416 -12.663 -7.188 1.00 0.00 C ATOM 963 CG PHE A 61 -5.555 -13.643 -7.019 1.00 0.00 C ATOM 964 CD1 PHE A 61 -5.346 -14.851 -6.343 1.00 0.00 C ATOM 965 CD2 PHE A 61 -6.821 -13.338 -7.534 1.00 0.00 C ATOM 966 CE1 PHE A 61 -6.403 -15.755 -6.182 1.00 0.00 C ATOM 967 CE2 PHE A 61 -7.878 -14.243 -7.374 1.00 0.00 C ATOM 968 CZ PHE A 61 -7.669 -15.452 -6.698 1.00 0.00 C ATOM 0 H PHE A 61 -6.052 -11.409 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.635 -12.893 -5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.712 -11.859 -7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.559 -13.160 -7.642 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.370 -15.086 -5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.982 -12.405 -8.054 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.242 -16.686 -5.660 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.854 -14.009 -7.772 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.484 -16.150 -6.575 1.00 0.00 H new ATOM 978 N THR A 62 -3.382 -9.786 -6.265 1.00 0.00 N ATOM 979 CA THR A 62 -2.419 -8.650 -6.415 1.00 0.00 C ATOM 980 C THR A 62 -1.708 -8.438 -5.069 1.00 0.00 C ATOM 981 O THR A 62 -0.568 -8.011 -5.016 1.00 0.00 O ATOM 982 CB THR A 62 -3.191 -7.379 -6.804 1.00 0.00 C ATOM 983 OG1 THR A 62 -3.794 -7.560 -8.079 1.00 0.00 O ATOM 984 CG2 THR A 62 -2.239 -6.182 -6.854 1.00 0.00 C ATOM 0 H THR A 62 -4.362 -9.533 -6.387 1.00 0.00 H new ATOM 0 HA THR A 62 -1.686 -8.871 -7.191 1.00 0.00 H new ATOM 0 HB THR A 62 -3.963 -7.189 -6.058 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.287 -6.750 -8.325 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.795 -5.286 -7.130 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.783 -6.038 -5.874 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.460 -6.368 -7.593 1.00 0.00 H new ATOM 992 N LYS A 63 -2.382 -8.758 -3.984 1.00 0.00 N ATOM 993 CA LYS A 63 -1.783 -8.614 -2.623 1.00 0.00 C ATOM 994 C LYS A 63 -0.592 -9.569 -2.487 1.00 0.00 C ATOM 995 O LYS A 63 0.328 -9.321 -1.727 1.00 0.00 O ATOM 996 CB LYS A 63 -2.838 -8.992 -1.578 1.00 0.00 C ATOM 997 CG LYS A 63 -2.796 -8.011 -0.409 1.00 0.00 C ATOM 998 CD LYS A 63 -4.145 -8.027 0.313 1.00 0.00 C ATOM 999 CE LYS A 63 -5.020 -6.894 -0.222 1.00 0.00 C ATOM 1000 NZ LYS A 63 -5.544 -7.248 -1.574 1.00 0.00 N ATOM 0 H LYS A 63 -3.336 -9.118 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.451 -7.587 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.829 -8.986 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.658 -10.005 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.998 -8.284 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.576 -7.006 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.640 -8.986 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.997 -7.911 1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.849 -6.710 0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.442 -5.972 -0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.358 -6.642 -1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.798 -7.105 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.842 -8.244 -1.581 1.00 0.00 H new ATOM 1014 N LYS A 64 -0.616 -10.667 -3.209 1.00 0.00 N ATOM 1015 CA LYS A 64 0.494 -11.658 -3.123 1.00 0.00 C ATOM 1016 C LYS A 64 1.741 -11.124 -3.819 1.00 0.00 C ATOM 1017 O LYS A 64 2.843 -11.373 -3.376 1.00 0.00 O ATOM 1018 CB LYS A 64 0.061 -12.972 -3.773 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.695 -13.813 -2.747 1.00 0.00 C ATOM 1020 CD LYS A 64 -2.197 -13.729 -3.031 1.00 0.00 C ATOM 1021 CE LYS A 64 -2.978 -13.887 -1.724 1.00 0.00 C ATOM 1022 NZ LYS A 64 -3.080 -12.565 -1.038 1.00 0.00 N ATOM 0 H LYS A 64 -1.364 -10.916 -3.856 1.00 0.00 H new ATOM 0 HA LYS A 64 0.729 -11.832 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.574 -12.773 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.932 -13.517 -4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.362 -14.850 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.483 -13.455 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.436 -12.772 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.488 -14.508 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.974 -14.279 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.479 -14.607 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.640 -12.668 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.127 -12.224 -0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.544 -11.881 -1.669 1.00 0.00 H new ATOM 1036 N MET A 65 1.589 -10.373 -4.884 1.00 0.00 N ATOM 1037 CA MET A 65 2.787 -9.805 -5.573 1.00 0.00 C ATOM 1038 C MET A 65 3.300 -8.633 -4.721 1.00 0.00 C ATOM 1039 O MET A 65 3.389 -7.502 -5.171 1.00 0.00 O ATOM 1040 CB MET A 65 2.387 -9.325 -6.974 1.00 0.00 C ATOM 1041 CG MET A 65 2.700 -10.417 -7.999 1.00 0.00 C ATOM 1042 SD MET A 65 1.818 -11.936 -7.553 1.00 0.00 S ATOM 1043 CE MET A 65 3.242 -12.852 -6.912 1.00 0.00 C ATOM 0 H MET A 65 0.691 -10.131 -5.303 1.00 0.00 H new ATOM 0 HA MET A 65 3.572 -10.554 -5.683 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.324 -9.084 -6.997 1.00 0.00 H new ATOM 0 HB3 MET A 65 2.927 -8.412 -7.224 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.403 -10.091 -8.996 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.773 -10.603 -8.031 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.368 -13.774 -7.480 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.140 -12.242 -7.007 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.077 -13.093 -5.862 1.00 0.00 H new ATOM 1053 N LEU A 66 3.610 -8.913 -3.471 1.00 0.00 N ATOM 1054 CA LEU A 66 4.083 -7.866 -2.531 1.00 0.00 C ATOM 1055 C LEU A 66 4.325 -8.469 -1.133 1.00 0.00 C ATOM 1056 O LEU A 66 5.152 -7.980 -0.391 1.00 0.00 O ATOM 1057 CB LEU A 66 3.001 -6.794 -2.412 1.00 0.00 C ATOM 1058 CG LEU A 66 3.584 -5.548 -1.762 1.00 0.00 C ATOM 1059 CD1 LEU A 66 3.619 -4.424 -2.793 1.00 0.00 C ATOM 1060 CD2 LEU A 66 2.704 -5.144 -0.578 1.00 0.00 C ATOM 0 H LEU A 66 3.550 -9.847 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 66 5.015 -7.443 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.606 -6.551 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.167 -7.169 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 66 4.595 -5.745 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.035 -3.525 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.240 -4.724 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.607 -4.218 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.115 -4.251 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.694 -4.936 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.675 -5.957 0.148 1.00 0.00 H new ATOM 1072 N GLU A 67 3.605 -9.515 -0.764 1.00 0.00 N ATOM 1073 CA GLU A 67 3.791 -10.126 0.588 1.00 0.00 C ATOM 1074 C GLU A 67 5.016 -11.053 0.576 1.00 0.00 C ATOM 1075 O GLU A 67 5.626 -11.294 1.603 1.00 0.00 O ATOM 1076 CB GLU A 67 2.502 -10.899 0.949 1.00 0.00 C ATOM 1077 CG GLU A 67 2.808 -12.244 1.628 1.00 0.00 C ATOM 1078 CD GLU A 67 2.798 -12.073 3.152 1.00 0.00 C ATOM 1079 OE1 GLU A 67 1.721 -12.121 3.727 1.00 0.00 O ATOM 1080 OE2 GLU A 67 3.865 -11.900 3.719 1.00 0.00 O ATOM 0 H GLU A 67 2.899 -9.966 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 67 3.969 -9.357 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.888 -10.290 1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.919 -11.074 0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.068 -12.988 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.780 -12.614 1.301 1.00 0.00 H new ATOM 1087 N ASN A 68 5.371 -11.576 -0.571 1.00 0.00 N ATOM 1088 CA ASN A 68 6.543 -12.499 -0.652 1.00 0.00 C ATOM 1089 C ASN A 68 7.523 -12.044 -1.748 1.00 0.00 C ATOM 1090 O ASN A 68 8.422 -12.776 -2.123 1.00 0.00 O ATOM 1091 CB ASN A 68 6.041 -13.921 -0.948 1.00 0.00 C ATOM 1092 CG ASN A 68 5.265 -13.954 -2.274 1.00 0.00 C ATOM 1093 OD1 ASN A 68 4.095 -13.371 -2.364 1.00 0.00 O flip ATOM 1094 ND2 ASN A 68 5.733 -14.515 -3.244 1.00 0.00 N flip ATOM 0 H ASN A 68 4.897 -11.402 -1.458 1.00 0.00 H new ATOM 0 HA ASN A 68 7.074 -12.486 0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.886 -14.608 -0.997 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.399 -14.263 -0.136 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.643 -14.971 -3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.216 -14.531 -4.123 1.00 0.00 H new ATOM 1101 N ALA A 69 7.369 -10.839 -2.256 1.00 0.00 N ATOM 1102 CA ALA A 69 8.301 -10.342 -3.312 1.00 0.00 C ATOM 1103 C ALA A 69 9.592 -9.842 -2.654 1.00 0.00 C ATOM 1104 O ALA A 69 9.577 -8.930 -1.846 1.00 0.00 O ATOM 1105 CB ALA A 69 7.637 -9.202 -4.092 1.00 0.00 C ATOM 0 H ALA A 69 6.638 -10.183 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 69 8.537 -11.152 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.320 -8.842 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.722 -9.566 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.396 -8.387 -3.410 1.00 0.00 H new ATOM 1111 N LYS A 70 10.708 -10.436 -3.004 1.00 0.00 N ATOM 1112 CA LYS A 70 12.017 -10.010 -2.415 1.00 0.00 C ATOM 1113 C LYS A 70 12.592 -8.888 -3.277 1.00 0.00 C ATOM 1114 O LYS A 70 12.842 -7.794 -2.801 1.00 0.00 O ATOM 1115 CB LYS A 70 12.987 -11.196 -2.393 1.00 0.00 C ATOM 1116 CG LYS A 70 12.587 -12.167 -1.279 1.00 0.00 C ATOM 1117 CD LYS A 70 13.844 -12.690 -0.575 1.00 0.00 C ATOM 1118 CE LYS A 70 13.968 -12.043 0.809 1.00 0.00 C ATOM 1119 NZ LYS A 70 14.589 -10.693 0.679 1.00 0.00 N ATOM 0 H LYS A 70 10.768 -11.201 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 70 11.871 -9.659 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.975 -11.707 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.006 -10.843 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.938 -11.665 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.018 -12.999 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.793 -13.774 -0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.727 -12.465 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.984 -11.958 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.574 -12.671 1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.672 -10.257 1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.534 -10.785 0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.994 -10.094 0.071 1.00 0.00 H new ATOM 1133 N LYS A 71 12.770 -9.146 -4.551 1.00 0.00 N ATOM 1134 CA LYS A 71 13.295 -8.095 -5.472 1.00 0.00 C ATOM 1135 C LYS A 71 12.126 -7.192 -5.854 1.00 0.00 C ATOM 1136 O LYS A 71 11.137 -7.659 -6.389 1.00 0.00 O ATOM 1137 CB LYS A 71 13.867 -8.747 -6.734 1.00 0.00 C ATOM 1138 CG LYS A 71 15.271 -9.289 -6.445 1.00 0.00 C ATOM 1139 CD LYS A 71 16.320 -8.254 -6.864 1.00 0.00 C ATOM 1140 CE LYS A 71 17.336 -8.903 -7.809 1.00 0.00 C ATOM 1141 NZ LYS A 71 18.433 -9.528 -7.014 1.00 0.00 N ATOM 0 H LYS A 71 12.572 -10.044 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 71 14.086 -7.523 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.215 -9.556 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.907 -8.019 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.373 -9.515 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.430 -10.222 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.836 -7.411 -7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.828 -7.860 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.845 -9.657 -8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.746 -8.155 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.121 -9.968 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.908 -8.799 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.035 -10.254 -6.384 1.00 0.00 H new ATOM 1155 N ILE A 72 12.220 -5.912 -5.587 1.00 0.00 N ATOM 1156 CA ILE A 72 11.104 -5.001 -5.933 1.00 0.00 C ATOM 1157 C ILE A 72 11.662 -3.862 -6.767 1.00 0.00 C ATOM 1158 O ILE A 72 12.848 -3.612 -6.778 1.00 0.00 O ATOM 1159 CB ILE A 72 10.467 -4.444 -4.644 1.00 0.00 C ATOM 1160 CG1 ILE A 72 9.983 -5.601 -3.754 1.00 0.00 C ATOM 1161 CG2 ILE A 72 9.277 -3.544 -4.994 1.00 0.00 C ATOM 1162 CD1 ILE A 72 9.516 -5.061 -2.400 1.00 0.00 C ATOM 0 H ILE A 72 13.024 -5.466 -5.145 1.00 0.00 H new ATOM 0 HA ILE A 72 10.339 -5.538 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 72 11.216 -3.862 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.166 -6.131 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.789 -6.321 -3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.833 -3.155 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.618 -2.714 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.532 -4.122 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.175 -5.888 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.344 -4.552 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.696 -4.359 -2.551 1.00 0.00 H new ATOM 1174 N GLU A 73 10.814 -3.169 -7.457 1.00 0.00 N ATOM 1175 CA GLU A 73 11.279 -2.028 -8.274 1.00 0.00 C ATOM 1176 C GLU A 73 10.157 -0.992 -8.281 1.00 0.00 C ATOM 1177 O GLU A 73 9.624 -0.650 -9.319 1.00 0.00 O ATOM 1178 CB GLU A 73 11.602 -2.488 -9.705 1.00 0.00 C ATOM 1179 CG GLU A 73 12.917 -3.289 -9.727 1.00 0.00 C ATOM 1180 CD GLU A 73 14.095 -2.429 -9.226 1.00 0.00 C ATOM 1181 OE1 GLU A 73 14.222 -1.300 -9.669 1.00 0.00 O ATOM 1182 OE2 GLU A 73 14.860 -2.926 -8.416 1.00 0.00 O ATOM 0 H GLU A 73 9.810 -3.345 -7.491 1.00 0.00 H new ATOM 0 HA GLU A 73 12.191 -1.601 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.788 -3.103 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.685 -1.622 -10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.817 -4.176 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.120 -3.635 -10.741 1.00 0.00 H new ATOM 1189 N VAL A 74 9.790 -0.508 -7.106 1.00 0.00 N ATOM 1190 CA VAL A 74 8.685 0.508 -6.997 1.00 0.00 C ATOM 1191 C VAL A 74 8.857 1.532 -8.119 1.00 0.00 C ATOM 1192 O VAL A 74 9.754 2.358 -8.093 1.00 0.00 O ATOM 1193 CB VAL A 74 8.690 1.238 -5.632 1.00 0.00 C ATOM 1194 CG1 VAL A 74 7.322 1.078 -4.978 1.00 0.00 C ATOM 1195 CG2 VAL A 74 9.744 0.670 -4.676 1.00 0.00 C ATOM 0 H VAL A 74 10.212 -0.776 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 74 7.732 -0.015 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 74 8.925 2.285 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.317 1.589 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.557 1.511 -5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.112 0.019 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.710 1.214 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.540 -0.385 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.734 0.777 -5.120 1.00 0.00 H new ATOM 1205 N GLU A 75 8.020 1.452 -9.122 1.00 0.00 N ATOM 1206 CA GLU A 75 8.139 2.384 -10.278 1.00 0.00 C ATOM 1207 C GLU A 75 7.253 3.610 -10.053 1.00 0.00 C ATOM 1208 O GLU A 75 6.040 3.542 -10.149 1.00 0.00 O ATOM 1209 CB GLU A 75 7.719 1.658 -11.561 1.00 0.00 C ATOM 1210 CG GLU A 75 8.564 0.389 -11.746 1.00 0.00 C ATOM 1211 CD GLU A 75 8.637 0.010 -13.235 1.00 0.00 C ATOM 1212 OE1 GLU A 75 7.607 0.030 -13.893 1.00 0.00 O ATOM 1213 OE2 GLU A 75 9.726 -0.301 -13.690 1.00 0.00 O ATOM 0 H GLU A 75 7.257 0.778 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 75 9.173 2.714 -10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.662 1.397 -11.512 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.845 2.317 -12.420 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.568 0.552 -11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.130 -0.432 -11.175 1.00 0.00 H new ATOM 1220 N PHE A 76 7.863 4.735 -9.763 1.00 0.00 N ATOM 1221 CA PHE A 76 7.083 5.989 -9.540 1.00 0.00 C ATOM 1222 C PHE A 76 7.193 6.841 -10.810 1.00 0.00 C ATOM 1223 O PHE A 76 8.253 7.341 -11.138 1.00 0.00 O ATOM 1224 CB PHE A 76 7.651 6.778 -8.346 1.00 0.00 C ATOM 1225 CG PHE A 76 7.619 5.962 -7.073 1.00 0.00 C ATOM 1226 CD1 PHE A 76 6.970 4.724 -7.029 1.00 0.00 C ATOM 1227 CD2 PHE A 76 8.244 6.461 -5.924 1.00 0.00 C ATOM 1228 CE1 PHE A 76 6.945 3.990 -5.845 1.00 0.00 C ATOM 1229 CE2 PHE A 76 8.219 5.724 -4.738 1.00 0.00 C ATOM 1230 CZ PHE A 76 7.570 4.488 -4.699 1.00 0.00 C ATOM 0 H PHE A 76 8.874 4.836 -9.671 1.00 0.00 H new ATOM 0 HA PHE A 76 6.044 5.742 -9.322 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.677 7.077 -8.562 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.075 7.693 -8.207 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.487 4.336 -7.914 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.746 7.417 -5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.442 3.035 -5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.701 6.110 -3.852 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.551 3.917 -3.783 1.00 0.00 H new ATOM 1240 N ASP A 77 6.113 6.982 -11.538 1.00 0.00 N ATOM 1241 CA ASP A 77 6.142 7.776 -12.815 1.00 0.00 C ATOM 1242 C ASP A 77 6.672 9.197 -12.572 1.00 0.00 C ATOM 1243 O ASP A 77 6.547 9.740 -11.487 1.00 0.00 O ATOM 1244 CB ASP A 77 4.726 7.846 -13.407 1.00 0.00 C ATOM 1245 CG ASP A 77 3.807 8.666 -12.490 1.00 0.00 C ATOM 1246 OD1 ASP A 77 3.309 8.108 -11.525 1.00 0.00 O ATOM 1247 OD2 ASP A 77 3.616 9.839 -12.770 1.00 0.00 O ATOM 0 H ASP A 77 5.205 6.580 -11.305 1.00 0.00 H new ATOM 0 HA ASP A 77 6.813 7.278 -13.515 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.760 8.299 -14.398 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.325 6.840 -13.530 1.00 0.00 H new ATOM 1252 N LYS A 78 7.253 9.801 -13.594 1.00 0.00 N ATOM 1253 CA LYS A 78 7.789 11.196 -13.460 1.00 0.00 C ATOM 1254 C LYS A 78 6.703 12.078 -12.841 1.00 0.00 C ATOM 1255 O LYS A 78 5.586 12.130 -13.327 1.00 0.00 O ATOM 1256 CB LYS A 78 8.172 11.734 -14.844 1.00 0.00 C ATOM 1257 CG LYS A 78 8.822 13.116 -14.705 1.00 0.00 C ATOM 1258 CD LYS A 78 10.316 12.954 -14.412 1.00 0.00 C ATOM 1259 CE LYS A 78 10.971 14.336 -14.317 1.00 0.00 C ATOM 1260 NZ LYS A 78 10.832 14.862 -12.927 1.00 0.00 N ATOM 0 H LYS A 78 7.377 9.382 -14.516 1.00 0.00 H new ATOM 0 HA LYS A 78 8.674 11.199 -12.824 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.861 11.046 -15.333 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.286 11.801 -15.476 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.681 13.689 -15.621 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.342 13.676 -13.902 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.457 12.408 -13.479 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.790 12.368 -15.199 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.025 14.269 -14.588 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.503 15.021 -15.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.277 15.800 -12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.824 14.940 -12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.298 14.213 -12.262 1.00 0.00 H new ATOM 1274 N GLY A 79 7.008 12.734 -11.747 1.00 0.00 N ATOM 1275 CA GLY A 79 5.976 13.567 -11.064 1.00 0.00 C ATOM 1276 C GLY A 79 5.012 12.601 -10.379 1.00 0.00 C ATOM 1277 O GLY A 79 4.039 12.165 -10.968 1.00 0.00 O ATOM 0 H GLY A 79 7.925 12.727 -11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.437 14.234 -10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.449 14.195 -11.782 1.00 0.00 H new ATOM 1281 N GLN A 80 5.305 12.230 -9.153 1.00 0.00 N ATOM 1282 CA GLN A 80 4.443 11.251 -8.423 1.00 0.00 C ATOM 1283 C GLN A 80 2.971 11.681 -8.471 1.00 0.00 C ATOM 1284 O GLN A 80 2.651 12.843 -8.656 1.00 0.00 O ATOM 1285 CB GLN A 80 4.939 11.109 -6.974 1.00 0.00 C ATOM 1286 CG GLN A 80 4.321 12.181 -6.071 1.00 0.00 C ATOM 1287 CD GLN A 80 3.557 11.493 -4.939 1.00 0.00 C ATOM 1288 OE1 GLN A 80 2.411 11.126 -5.102 1.00 0.00 O ATOM 1289 NE2 GLN A 80 4.150 11.297 -3.792 1.00 0.00 N ATOM 0 H GLN A 80 6.110 12.567 -8.626 1.00 0.00 H new ATOM 0 HA GLN A 80 4.513 10.279 -8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.685 10.119 -6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.026 11.190 -6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.100 12.825 -5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.649 12.818 -6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.113 11.606 -3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.650 10.835 -3.032 1.00 0.00 H new ATOM 1298 N ARG A 81 2.080 10.734 -8.330 1.00 0.00 N ATOM 1299 CA ARG A 81 0.618 11.035 -8.390 1.00 0.00 C ATOM 1300 C ARG A 81 0.145 11.685 -7.074 1.00 0.00 C ATOM 1301 O ARG A 81 -0.673 11.139 -6.360 1.00 0.00 O ATOM 1302 CB ARG A 81 -0.134 9.720 -8.642 1.00 0.00 C ATOM 1303 CG ARG A 81 -0.853 9.784 -9.992 1.00 0.00 C ATOM 1304 CD ARG A 81 -2.300 10.242 -9.786 1.00 0.00 C ATOM 1305 NE ARG A 81 -2.559 11.469 -10.593 1.00 0.00 N ATOM 1306 CZ ARG A 81 -3.787 11.855 -10.819 1.00 0.00 C ATOM 1307 NH1 ARG A 81 -4.385 12.659 -9.978 1.00 0.00 N ATOM 1308 NH2 ARG A 81 -4.416 11.440 -11.888 1.00 0.00 N ATOM 0 H ARG A 81 2.306 9.752 -8.174 1.00 0.00 H new ATOM 0 HA ARG A 81 0.416 11.739 -9.197 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.564 8.883 -8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.855 9.544 -7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.335 10.473 -10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.836 8.805 -10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.988 9.449 -10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.481 10.445 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.778 12.007 -10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.893 12.985 -9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.343 12.960 -10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.948 10.815 -12.545 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.374 11.741 -12.065 1.00 0.00 H new ATOM 1322 N THR A 82 0.637 12.862 -6.761 1.00 0.00 N ATOM 1323 CA THR A 82 0.211 13.554 -5.514 1.00 0.00 C ATOM 1324 C THR A 82 -1.157 14.202 -5.740 1.00 0.00 C ATOM 1325 O THR A 82 -1.729 14.133 -6.815 1.00 0.00 O ATOM 1326 CB THR A 82 1.231 14.648 -5.135 1.00 0.00 C ATOM 1327 OG1 THR A 82 1.932 15.088 -6.294 1.00 0.00 O ATOM 1328 CG2 THR A 82 2.229 14.096 -4.114 1.00 0.00 C ATOM 0 H THR A 82 1.319 13.371 -7.323 1.00 0.00 H new ATOM 0 HA THR A 82 0.153 12.825 -4.706 1.00 0.00 H new ATOM 0 HB THR A 82 0.695 15.492 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.576 15.783 -6.043 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.947 14.873 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.695 13.776 -3.219 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.757 13.245 -4.545 1.00 0.00 H new ATOM 1336 N ASP A 83 -1.674 14.831 -4.724 1.00 0.00 N ATOM 1337 CA ASP A 83 -3.007 15.500 -4.837 1.00 0.00 C ATOM 1338 C ASP A 83 -3.232 16.435 -3.634 1.00 0.00 C ATOM 1339 O ASP A 83 -2.814 17.578 -3.654 1.00 0.00 O ATOM 1340 CB ASP A 83 -4.111 14.431 -4.913 1.00 0.00 C ATOM 1341 CG ASP A 83 -5.467 15.096 -5.181 1.00 0.00 C ATOM 1342 OD1 ASP A 83 -5.716 15.452 -6.322 1.00 0.00 O ATOM 1343 OD2 ASP A 83 -6.235 15.236 -4.242 1.00 0.00 O ATOM 0 H ASP A 83 -1.229 14.913 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.038 16.102 -5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.884 13.717 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.150 13.870 -3.980 1.00 0.00 H new ATOM 1348 N LYS A 84 -3.883 15.965 -2.590 1.00 0.00 N ATOM 1349 CA LYS A 84 -4.128 16.828 -1.397 1.00 0.00 C ATOM 1350 C LYS A 84 -3.162 16.419 -0.283 1.00 0.00 C ATOM 1351 O LYS A 84 -2.377 17.220 0.190 1.00 0.00 O ATOM 1352 CB LYS A 84 -5.576 16.655 -0.922 1.00 0.00 C ATOM 1353 CG LYS A 84 -6.165 18.023 -0.565 1.00 0.00 C ATOM 1354 CD LYS A 84 -6.654 18.724 -1.838 1.00 0.00 C ATOM 1355 CE LYS A 84 -5.640 19.789 -2.263 1.00 0.00 C ATOM 1356 NZ LYS A 84 -6.360 20.982 -2.793 1.00 0.00 N ATOM 0 H LYS A 84 -4.254 15.017 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.966 17.874 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.172 16.184 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.609 15.996 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.991 17.902 0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.413 18.635 -0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.787 17.995 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.626 19.184 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.019 20.074 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.972 19.386 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.670 21.704 -3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.934 20.704 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.979 21.371 -2.053 1.00 0.00 H new ATOM 1370 N TYR A 85 -3.204 15.170 0.121 1.00 0.00 N ATOM 1371 CA TYR A 85 -2.276 14.689 1.185 1.00 0.00 C ATOM 1372 C TYR A 85 -0.898 14.420 0.563 1.00 0.00 C ATOM 1373 O TYR A 85 0.114 14.475 1.239 1.00 0.00 O ATOM 1374 CB TYR A 85 -2.827 13.395 1.801 1.00 0.00 C ATOM 1375 CG TYR A 85 -1.868 12.878 2.850 1.00 0.00 C ATOM 1376 CD1 TYR A 85 -1.758 13.530 4.084 1.00 0.00 C ATOM 1377 CD2 TYR A 85 -1.085 11.747 2.585 1.00 0.00 C ATOM 1378 CE1 TYR A 85 -0.866 13.053 5.052 1.00 0.00 C ATOM 1379 CE2 TYR A 85 -0.194 11.270 3.553 1.00 0.00 C ATOM 1380 CZ TYR A 85 -0.084 11.922 4.786 1.00 0.00 C ATOM 1381 OH TYR A 85 0.796 11.452 5.741 1.00 0.00 O ATOM 0 H TYR A 85 -3.844 14.465 -0.244 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.185 15.445 1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.803 13.581 2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.970 12.644 1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.362 14.402 4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.169 11.243 1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.781 13.557 6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.409 10.398 3.348 1.00 0.00 H new ATOM 0 HH TYR A 85 1.260 10.660 5.397 1.00 0.00 H new ATOM 1391 N GLY A 86 -0.855 14.136 -0.723 1.00 0.00 N ATOM 1392 CA GLY A 86 0.449 13.868 -1.395 1.00 0.00 C ATOM 1393 C GLY A 86 0.987 12.502 -0.962 1.00 0.00 C ATOM 1394 O GLY A 86 2.147 12.376 -0.607 1.00 0.00 O ATOM 0 H GLY A 86 -1.672 14.080 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 86 0.322 13.892 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.166 14.648 -1.141 1.00 0.00 H new ATOM 1398 N ARG A 87 0.164 11.474 -1.002 1.00 0.00 N ATOM 1399 CA ARG A 87 0.636 10.113 -0.611 1.00 0.00 C ATOM 1400 C ARG A 87 1.625 9.613 -1.672 1.00 0.00 C ATOM 1401 O ARG A 87 1.842 10.265 -2.677 1.00 0.00 O ATOM 1402 CB ARG A 87 -0.568 9.169 -0.531 1.00 0.00 C ATOM 1403 CG ARG A 87 -0.318 8.103 0.538 1.00 0.00 C ATOM 1404 CD ARG A 87 -1.544 7.198 0.663 1.00 0.00 C ATOM 1405 NE ARG A 87 -1.620 6.259 -0.496 1.00 0.00 N ATOM 1406 CZ ARG A 87 -2.317 5.157 -0.391 1.00 0.00 C ATOM 1407 NH1 ARG A 87 -3.483 5.165 0.206 1.00 0.00 N ATOM 1408 NH2 ARG A 87 -1.841 4.043 -0.878 1.00 0.00 N ATOM 0 H ARG A 87 -0.813 11.525 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 87 1.129 10.146 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.469 9.733 -0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.736 8.695 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.558 7.510 0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.106 8.578 1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.493 6.633 1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.448 7.805 0.707 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.131 6.476 -1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.852 6.034 0.592 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.022 4.302 0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.930 4.035 -1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.380 3.181 -0.799 1.00 0.00 H new ATOM 1422 N VAL A 88 2.221 8.464 -1.468 1.00 0.00 N ATOM 1423 CA VAL A 88 3.187 7.937 -2.480 1.00 0.00 C ATOM 1424 C VAL A 88 2.391 7.187 -3.549 1.00 0.00 C ATOM 1425 O VAL A 88 2.423 5.974 -3.634 1.00 0.00 O ATOM 1426 CB VAL A 88 4.203 6.993 -1.812 1.00 0.00 C ATOM 1427 CG1 VAL A 88 5.560 7.144 -2.504 1.00 0.00 C ATOM 1428 CG2 VAL A 88 4.359 7.341 -0.327 1.00 0.00 C ATOM 0 H VAL A 88 2.081 7.872 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 88 3.742 8.760 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 88 3.845 5.968 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.284 6.478 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.461 6.888 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.903 8.175 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.081 6.665 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.711 8.368 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.396 7.238 0.174 1.00 0.00 H new ATOM 1438 N LEU A 89 1.646 7.910 -4.345 1.00 0.00 N ATOM 1439 CA LEU A 89 0.803 7.264 -5.390 1.00 0.00 C ATOM 1440 C LEU A 89 1.670 6.652 -6.489 1.00 0.00 C ATOM 1441 O LEU A 89 2.146 7.336 -7.380 1.00 0.00 O ATOM 1442 CB LEU A 89 -0.147 8.300 -5.993 1.00 0.00 C ATOM 1443 CG LEU A 89 -1.157 8.810 -4.947 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -2.566 8.715 -5.529 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -1.085 7.981 -3.660 1.00 0.00 C ATOM 0 H LEU A 89 1.587 8.928 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 89 0.226 6.464 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.428 9.139 -6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.682 7.859 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.913 9.844 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.288 9.074 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.630 9.326 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.788 7.677 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.808 8.363 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.313 6.939 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.082 8.050 -3.238 1.00 0.00 H new ATOM 1457 N ALA A 90 1.869 5.359 -6.425 1.00 0.00 N ATOM 1458 CA ALA A 90 2.693 4.665 -7.454 1.00 0.00 C ATOM 1459 C ALA A 90 2.401 3.158 -7.425 1.00 0.00 C ATOM 1460 O ALA A 90 1.546 2.692 -6.690 1.00 0.00 O ATOM 1461 CB ALA A 90 4.169 4.909 -7.160 1.00 0.00 C ATOM 0 H ALA A 90 1.492 4.752 -5.697 1.00 0.00 H new ATOM 0 HA ALA A 90 2.447 5.054 -8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.778 4.404 -7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.373 5.979 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.412 4.519 -6.172 1.00 0.00 H new ATOM 1467 N TYR A 91 3.113 2.396 -8.221 1.00 0.00 N ATOM 1468 CA TYR A 91 2.894 0.917 -8.252 1.00 0.00 C ATOM 1469 C TYR A 91 4.177 0.176 -7.885 1.00 0.00 C ATOM 1470 O TYR A 91 5.277 0.676 -8.054 1.00 0.00 O ATOM 1471 CB TYR A 91 2.407 0.489 -9.640 1.00 0.00 C ATOM 1472 CG TYR A 91 0.898 0.640 -9.713 1.00 0.00 C ATOM 1473 CD1 TYR A 91 0.108 0.454 -8.565 1.00 0.00 C ATOM 1474 CD2 TYR A 91 0.290 0.978 -10.926 1.00 0.00 C ATOM 1475 CE1 TYR A 91 -1.280 0.609 -8.634 1.00 0.00 C ATOM 1476 CE2 TYR A 91 -1.100 1.130 -10.994 1.00 0.00 C ATOM 1477 CZ TYR A 91 -1.884 0.947 -9.850 1.00 0.00 C ATOM 1478 OH TYR A 91 -3.252 1.107 -9.922 1.00 0.00 O ATOM 0 H TYR A 91 3.838 2.737 -8.852 1.00 0.00 H new ATOM 0 HA TYR A 91 2.131 0.661 -7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.882 1.099 -10.408 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.690 -0.546 -9.834 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.574 0.191 -7.627 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.893 1.122 -11.811 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.885 0.468 -7.750 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.568 1.389 -11.932 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.506 1.342 -10.839 1.00 0.00 H new ATOM 1488 N ILE A 92 4.026 -1.019 -7.369 1.00 0.00 N ATOM 1489 CA ILE A 92 5.205 -1.833 -6.961 1.00 0.00 C ATOM 1490 C ILE A 92 5.480 -2.864 -8.050 1.00 0.00 C ATOM 1491 O ILE A 92 4.569 -3.464 -8.596 1.00 0.00 O ATOM 1492 CB ILE A 92 4.917 -2.547 -5.632 1.00 0.00 C ATOM 1493 CG1 ILE A 92 4.038 -1.662 -4.733 1.00 0.00 C ATOM 1494 CG2 ILE A 92 6.235 -2.850 -4.916 1.00 0.00 C ATOM 1495 CD1 ILE A 92 4.701 -0.298 -4.513 1.00 0.00 C ATOM 0 H ILE A 92 3.123 -1.467 -7.213 1.00 0.00 H new ATOM 0 HA ILE A 92 6.073 -1.187 -6.828 1.00 0.00 H new ATOM 0 HB ILE A 92 4.390 -3.478 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.058 -1.527 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.877 -2.154 -3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 92 6.029 -3.357 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.852 -3.492 -5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.765 -1.918 -4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.066 0.316 -3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.670 -0.438 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.839 0.199 -5.473 1.00 0.00 H new ATOM 1507 N TYR A 93 6.726 -3.051 -8.388 1.00 0.00 N ATOM 1508 CA TYR A 93 7.070 -4.015 -9.466 1.00 0.00 C ATOM 1509 C TYR A 93 8.031 -5.069 -8.925 1.00 0.00 C ATOM 1510 O TYR A 93 9.220 -5.053 -9.200 1.00 0.00 O ATOM 1511 CB TYR A 93 7.699 -3.240 -10.626 1.00 0.00 C ATOM 1512 CG TYR A 93 6.653 -2.324 -11.221 1.00 0.00 C ATOM 1513 CD1 TYR A 93 6.129 -1.262 -10.470 1.00 0.00 C ATOM 1514 CD2 TYR A 93 6.197 -2.546 -12.519 1.00 0.00 C ATOM 1515 CE1 TYR A 93 5.158 -0.432 -11.020 1.00 0.00 C ATOM 1516 CE2 TYR A 93 5.225 -1.717 -13.073 1.00 0.00 C ATOM 1517 CZ TYR A 93 4.701 -0.656 -12.325 1.00 0.00 C ATOM 1518 OH TYR A 93 3.737 0.168 -12.870 1.00 0.00 O ATOM 0 H TYR A 93 7.521 -2.576 -7.962 1.00 0.00 H new ATOM 0 HA TYR A 93 6.176 -4.527 -9.821 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.553 -2.661 -10.274 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.072 -3.930 -11.383 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.480 -1.088 -9.463 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.599 -3.364 -13.098 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.756 0.386 -10.440 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.875 -1.893 -14.080 1.00 0.00 H new ATOM 0 HH TYR A 93 3.534 -0.125 -13.783 1.00 0.00 H new ATOM 1528 N ALA A 94 7.516 -5.986 -8.142 1.00 0.00 N ATOM 1529 CA ALA A 94 8.363 -7.039 -7.562 1.00 0.00 C ATOM 1530 C ALA A 94 7.765 -8.416 -7.855 1.00 0.00 C ATOM 1531 O ALA A 94 6.562 -8.606 -7.796 1.00 0.00 O ATOM 1532 CB ALA A 94 8.428 -6.840 -6.055 1.00 0.00 C ATOM 0 H ALA A 94 6.530 -6.038 -7.885 1.00 0.00 H new ATOM 0 HA ALA A 94 9.360 -6.981 -7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.054 -7.615 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.853 -5.861 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.424 -6.901 -5.636 1.00 0.00 H new ATOM 1538 N ASP A 95 8.610 -9.373 -8.150 1.00 0.00 N ATOM 1539 CA ASP A 95 8.145 -10.770 -8.441 1.00 0.00 C ATOM 1540 C ASP A 95 6.980 -10.737 -9.442 1.00 0.00 C ATOM 1541 O ASP A 95 5.821 -10.785 -9.070 1.00 0.00 O ATOM 1542 CB ASP A 95 7.704 -11.442 -7.131 1.00 0.00 C ATOM 1543 CG ASP A 95 8.932 -11.992 -6.392 1.00 0.00 C ATOM 1544 OD1 ASP A 95 9.770 -11.196 -5.993 1.00 0.00 O ATOM 1545 OD2 ASP A 95 9.012 -13.199 -6.234 1.00 0.00 O ATOM 0 H ASP A 95 9.621 -9.245 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 95 8.962 -11.342 -8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.180 -10.723 -6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.004 -12.250 -7.343 1.00 0.00 H new ATOM 1550 N GLY A 96 7.290 -10.640 -10.712 1.00 0.00 N ATOM 1551 CA GLY A 96 6.220 -10.584 -11.755 1.00 0.00 C ATOM 1552 C GLY A 96 6.265 -9.216 -12.444 1.00 0.00 C ATOM 1553 O GLY A 96 6.062 -9.115 -13.641 1.00 0.00 O ATOM 0 H GLY A 96 8.243 -10.597 -11.072 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.366 -11.379 -12.487 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.242 -10.744 -11.300 1.00 0.00 H new ATOM 1557 N LYS A 97 6.537 -8.169 -11.688 1.00 0.00 N ATOM 1558 CA LYS A 97 6.614 -6.785 -12.263 1.00 0.00 C ATOM 1559 C LYS A 97 5.214 -6.282 -12.634 1.00 0.00 C ATOM 1560 O LYS A 97 4.481 -6.929 -13.359 1.00 0.00 O ATOM 1561 CB LYS A 97 7.510 -6.779 -13.508 1.00 0.00 C ATOM 1562 CG LYS A 97 8.489 -5.604 -13.427 1.00 0.00 C ATOM 1563 CD LYS A 97 9.074 -5.325 -14.813 1.00 0.00 C ATOM 1564 CE LYS A 97 9.472 -3.850 -14.913 1.00 0.00 C ATOM 1565 NZ LYS A 97 9.575 -3.455 -16.348 1.00 0.00 N ATOM 0 H LYS A 97 6.711 -8.220 -10.684 1.00 0.00 H new ATOM 0 HA LYS A 97 7.041 -6.122 -11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.058 -7.719 -13.579 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.900 -6.697 -14.408 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.978 -4.717 -13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.289 -5.832 -12.723 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.943 -5.960 -14.987 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.343 -5.568 -15.584 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.733 -3.229 -14.407 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.425 -3.685 -14.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.845 -2.453 -16.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.295 -4.040 -16.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.656 -3.597 -16.814 1.00 0.00 H new ATOM 1579 N MET A 98 4.849 -5.123 -12.127 1.00 0.00 N ATOM 1580 CA MET A 98 3.504 -4.522 -12.415 1.00 0.00 C ATOM 1581 C MET A 98 2.408 -5.245 -11.616 1.00 0.00 C ATOM 1582 O MET A 98 1.240 -4.932 -11.753 1.00 0.00 O ATOM 1583 CB MET A 98 3.198 -4.611 -13.917 1.00 0.00 C ATOM 1584 CG MET A 98 2.373 -3.394 -14.346 1.00 0.00 C ATOM 1585 SD MET A 98 2.174 -3.404 -16.145 1.00 0.00 S ATOM 1586 CE MET A 98 0.809 -4.591 -16.218 1.00 0.00 C ATOM 0 H MET A 98 5.439 -4.559 -11.515 1.00 0.00 H new ATOM 0 HA MET A 98 3.522 -3.474 -12.114 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.127 -4.652 -14.486 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.651 -5.529 -14.133 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.397 -3.414 -13.861 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.868 -2.476 -14.029 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.176 -5.544 -16.599 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.397 -4.734 -15.219 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.031 -4.211 -16.880 1.00 0.00 H new ATOM 1596 N VAL A 99 2.778 -6.192 -10.771 1.00 0.00 N ATOM 1597 CA VAL A 99 1.782 -6.935 -9.936 1.00 0.00 C ATOM 1598 C VAL A 99 0.742 -7.689 -10.807 1.00 0.00 C ATOM 1599 O VAL A 99 -0.179 -8.291 -10.281 1.00 0.00 O ATOM 1600 CB VAL A 99 1.109 -5.921 -8.990 1.00 0.00 C ATOM 1601 CG1 VAL A 99 -0.325 -5.601 -9.438 1.00 0.00 C ATOM 1602 CG2 VAL A 99 1.079 -6.494 -7.571 1.00 0.00 C ATOM 0 H VAL A 99 3.746 -6.481 -10.628 1.00 0.00 H new ATOM 0 HA VAL A 99 2.290 -7.704 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 99 1.688 -4.998 -9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.770 -4.883 -8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.306 -5.177 -10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.918 -6.516 -9.442 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.604 -5.779 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.514 -7.426 -7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.098 -6.686 -7.234 1.00 0.00 H new ATOM 1612 N ASN A 100 0.881 -7.675 -12.122 1.00 0.00 N ATOM 1613 CA ASN A 100 -0.097 -8.399 -13.001 1.00 0.00 C ATOM 1614 C ASN A 100 0.273 -9.894 -13.099 1.00 0.00 C ATOM 1615 O ASN A 100 0.426 -10.439 -14.180 1.00 0.00 O ATOM 1616 CB ASN A 100 -0.113 -7.747 -14.398 1.00 0.00 C ATOM 1617 CG ASN A 100 1.216 -7.996 -15.126 1.00 0.00 C ATOM 1618 OD1 ASN A 100 2.274 -7.703 -14.608 1.00 0.00 O ATOM 1619 ND2 ASN A 100 1.204 -8.528 -16.319 1.00 0.00 N ATOM 0 H ASN A 100 1.630 -7.193 -12.619 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.094 -8.327 -12.566 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.937 -8.153 -14.985 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.287 -6.675 -14.303 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.081 -8.696 -16.811 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.317 -8.776 -16.758 1.00 0.00 H new ATOM 1626 N GLU A 101 0.409 -10.565 -11.978 1.00 0.00 N ATOM 1627 CA GLU A 101 0.765 -12.019 -12.006 1.00 0.00 C ATOM 1628 C GLU A 101 -0.433 -12.843 -12.495 1.00 0.00 C ATOM 1629 O GLU A 101 -0.266 -13.840 -13.175 1.00 0.00 O ATOM 1630 CB GLU A 101 1.165 -12.478 -10.601 1.00 0.00 C ATOM 1631 CG GLU A 101 2.132 -13.663 -10.705 1.00 0.00 C ATOM 1632 CD GLU A 101 3.560 -13.151 -10.929 1.00 0.00 C ATOM 1633 OE1 GLU A 101 3.900 -12.880 -12.070 1.00 0.00 O ATOM 1634 OE2 GLU A 101 4.289 -13.040 -9.958 1.00 0.00 O ATOM 0 H GLU A 101 0.289 -10.168 -11.046 1.00 0.00 H new ATOM 0 HA GLU A 101 1.602 -12.167 -12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.636 -11.658 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.279 -12.767 -10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.089 -14.260 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.836 -14.314 -11.528 1.00 0.00 H new ATOM 1641 N ALA A 102 -1.638 -12.434 -12.157 1.00 0.00 N ATOM 1642 CA ALA A 102 -2.850 -13.189 -12.603 1.00 0.00 C ATOM 1643 C ALA A 102 -2.953 -13.138 -14.133 1.00 0.00 C ATOM 1644 O ALA A 102 -3.157 -12.087 -14.716 1.00 0.00 O ATOM 1645 CB ALA A 102 -4.103 -12.562 -11.981 1.00 0.00 C ATOM 0 H ALA A 102 -1.830 -11.608 -11.590 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.769 -14.227 -12.281 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.985 -13.113 -12.307 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.030 -12.604 -10.894 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.186 -11.523 -12.299 1.00 0.00 H new ATOM 1651 N LEU A 103 -2.804 -14.269 -14.783 1.00 0.00 N ATOM 1652 CA LEU A 103 -2.883 -14.307 -16.276 1.00 0.00 C ATOM 1653 C LEU A 103 -4.017 -15.248 -16.714 1.00 0.00 C ATOM 1654 O LEU A 103 -4.858 -14.808 -17.482 1.00 0.00 O ATOM 1655 CB LEU A 103 -1.546 -14.804 -16.844 1.00 0.00 C ATOM 1656 CG LEU A 103 -1.179 -13.987 -18.086 1.00 0.00 C ATOM 1657 CD1 LEU A 103 -0.367 -12.758 -17.670 1.00 0.00 C ATOM 1658 CD2 LEU A 103 -0.345 -14.852 -19.035 1.00 0.00 C ATOM 1659 OXT LEU A 103 -4.026 -16.391 -16.278 1.00 0.00 O ATOM 0 H LEU A 103 -2.630 -15.171 -14.339 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.088 -13.305 -16.654 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.763 -14.712 -16.091 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.619 -15.861 -17.100 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.090 -13.665 -18.591 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.106 -12.177 -18.555 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.960 -12.142 -16.994 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.544 -13.078 -17.165 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.083 -14.272 -19.920 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.565 -15.174 -18.529 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.923 -15.727 -19.333 1.00 0.00 H new TER 1671 LEU A 103