USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.326 F(o=-1.5,f=-0.33) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 96:sc= 0.00573 USER MOD Single : A 64 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.77) USER MOD Single : A 65 THR OG1 : rot -93:sc= 0.704 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 176:sc= 0 (180deg=-0.0162) USER MOD Single : A 73 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.7!) USER MOD Single : A 78 ASN : amide:sc= -0.153 K(o=-0.15,f=-8.8!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -98:sc= 0.511 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.85) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 66:sc= 1.07 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 97 GLN : amide:sc= -0.648 X(o=-0.65,f=-1.1) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 180:sc= -0.151 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 MET CE :methyl -124:sc= -0.891 (180deg=-4.39!) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -9.146 -13.657 4.448 1.00 0.00 N ATOM 84 CA TYR A 9 -8.959 -14.157 3.096 1.00 0.00 C ATOM 85 C TYR A 9 -8.677 -15.660 3.101 1.00 0.00 C ATOM 86 O TYR A 9 -8.633 -16.284 4.160 1.00 0.00 O ATOM 87 CB TYR A 9 -7.737 -13.423 2.542 1.00 0.00 C ATOM 88 CG TYR A 9 -8.072 -12.121 1.810 1.00 0.00 C ATOM 89 CD1 TYR A 9 -9.126 -12.082 0.921 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.320 -10.987 2.039 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.442 -10.857 0.232 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.635 -9.762 1.351 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.681 -9.758 0.480 1.00 0.00 C ATOM 94 OH TYR A 9 -8.979 -8.602 -0.170 1.00 0.00 O ATOM 0 HA TYR A 9 -9.855 -13.990 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -7.056 -13.201 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.207 -14.086 1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.714 -12.970 0.742 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.495 -11.018 2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.265 -10.813 -0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.055 -8.867 1.522 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.353 -7.901 0.106 1.00 0.00 H new ATOM 104 N ILE A 10 -8.493 -16.199 1.905 1.00 0.00 N ATOM 105 CA ILE A 10 -8.216 -17.617 1.757 1.00 0.00 C ATOM 106 C ILE A 10 -6.704 -17.846 1.811 1.00 0.00 C ATOM 107 O ILE A 10 -6.247 -18.984 1.906 1.00 0.00 O ATOM 108 CB ILE A 10 -8.875 -18.163 0.489 1.00 0.00 C ATOM 109 CG1 ILE A 10 -8.370 -17.425 -0.752 1.00 0.00 C ATOM 110 CG2 ILE A 10 -10.400 -18.119 0.602 1.00 0.00 C ATOM 111 CD1 ILE A 10 -9.380 -16.372 -1.213 1.00 0.00 C ATOM 0 H ILE A 10 -8.530 -15.678 1.029 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.654 -18.178 2.583 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.591 -19.209 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.416 -16.947 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.191 -18.139 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.844 -18.513 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.720 -18.724 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.724 -17.089 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.996 -15.862 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.326 -16.857 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.538 -15.646 -0.415 1.00 0.00 H new ATOM 123 N PHE A 11 -5.968 -16.746 1.747 1.00 0.00 N ATOM 124 CA PHE A 11 -4.518 -16.812 1.788 1.00 0.00 C ATOM 125 C PHE A 11 -3.967 -16.054 2.998 1.00 0.00 C ATOM 126 O PHE A 11 -4.667 -15.237 3.594 1.00 0.00 O ATOM 127 CB PHE A 11 -4.004 -16.148 0.509 1.00 0.00 C ATOM 128 CG PHE A 11 -4.701 -14.829 0.170 1.00 0.00 C ATOM 129 CD1 PHE A 11 -4.328 -13.682 0.797 1.00 0.00 C ATOM 130 CD2 PHE A 11 -5.693 -14.803 -0.761 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.975 -12.457 0.482 1.00 0.00 C ATOM 132 CE2 PHE A 11 -6.340 -13.579 -1.076 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.968 -12.433 -0.447 1.00 0.00 C ATOM 0 H PHE A 11 -6.350 -15.804 1.667 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.196 -17.850 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.934 -15.966 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.132 -16.839 -0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.540 -13.702 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.988 -15.714 -1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.679 -11.546 0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.127 -13.559 -1.815 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.461 -11.502 -0.685 1.00 0.00 H new ATOM 143 N PRO A 12 -2.686 -16.361 3.334 1.00 0.00 N ATOM 144 CA PRO A 12 -2.033 -15.719 4.463 1.00 0.00 C ATOM 145 C PRO A 12 -1.637 -14.281 4.121 1.00 0.00 C ATOM 146 O PRO A 12 -0.860 -14.051 3.195 1.00 0.00 O ATOM 147 CB PRO A 12 -0.841 -16.604 4.784 1.00 0.00 C ATOM 148 CG PRO A 12 -0.602 -17.447 3.542 1.00 0.00 C ATOM 149 CD PRO A 12 -1.826 -17.324 2.652 1.00 0.00 C ATOM 0 HA PRO A 12 -2.687 -15.626 5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.037 -16.005 5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.044 -17.234 5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.289 -17.106 3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.432 -18.488 3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.557 -16.977 1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.326 -18.285 2.531 1.00 0.00 H new ATOM 157 N HIS A 13 -2.188 -13.351 4.887 1.00 0.00 N ATOM 158 CA HIS A 13 -1.901 -11.942 4.677 1.00 0.00 C ATOM 159 C HIS A 13 -1.721 -11.249 6.028 1.00 0.00 C ATOM 160 O HIS A 13 -2.080 -11.801 7.067 1.00 0.00 O ATOM 161 CB HIS A 13 -2.984 -11.290 3.815 1.00 0.00 C ATOM 162 CG HIS A 13 -4.124 -10.695 4.607 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.761 -11.143 5.726 1.00 0.00 N flip ATOM 164 CD2 HIS A 13 -4.730 -9.498 4.265 1.00 0.00 C flip ATOM 165 CE1 HIS A 13 -5.704 -10.268 6.051 1.00 0.00 C flip ATOM 166 NE2 HIS A 13 -5.687 -9.248 5.147 1.00 0.00 N flip ATOM 0 H HIS A 13 -2.832 -13.546 5.654 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.967 -11.835 4.126 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.529 -10.507 3.209 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.383 -12.035 3.126 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.468 -8.874 3.423 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.375 -10.350 6.893 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.303 -8.435 5.149 1.00 0.00 H new ATOM 174 N ALA A 14 -1.164 -10.047 5.972 1.00 0.00 N ATOM 175 CA ALA A 14 -0.931 -9.272 7.178 1.00 0.00 C ATOM 176 C ALA A 14 -1.615 -7.910 7.043 1.00 0.00 C ATOM 177 O ALA A 14 -1.741 -7.380 5.940 1.00 0.00 O ATOM 178 CB ALA A 14 0.573 -9.146 7.422 1.00 0.00 C ATOM 0 H ALA A 14 -0.867 -9.591 5.109 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.361 -9.773 8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.747 -8.564 8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.007 -10.139 7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.039 -8.645 6.573 1.00 0.00 H new ATOM 184 N ARG A 15 -2.040 -7.382 8.181 1.00 0.00 N ATOM 185 CA ARG A 15 -2.708 -6.091 8.205 1.00 0.00 C ATOM 186 C ARG A 15 -2.073 -5.184 9.261 1.00 0.00 C ATOM 187 O ARG A 15 -2.555 -5.110 10.390 1.00 0.00 O ATOM 188 CB ARG A 15 -4.200 -6.249 8.507 1.00 0.00 C ATOM 189 CG ARG A 15 -4.998 -6.483 7.223 1.00 0.00 C ATOM 190 CD ARG A 15 -6.444 -6.011 7.383 1.00 0.00 C ATOM 191 NE ARG A 15 -7.366 -7.167 7.307 1.00 0.00 N ATOM 192 CZ ARG A 15 -7.597 -8.011 8.322 1.00 0.00 C ATOM 193 NH1 ARG A 15 -6.976 -7.834 9.496 1.00 0.00 N ATOM 194 NH2 ARG A 15 -8.450 -9.032 8.162 1.00 0.00 N ATOM 0 H ARG A 15 -1.935 -7.825 9.094 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.594 -5.640 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.350 -7.085 9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.569 -5.356 9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.527 -5.951 6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.984 -7.543 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.565 -5.501 8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.688 -5.289 6.604 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.856 -7.331 6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.327 -7.057 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.152 -8.477 10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.923 -9.166 7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.626 -9.675 8.934 1.00 0.00 H new ATOM 208 N ILE A 16 -1.003 -4.517 8.856 1.00 0.00 N ATOM 209 CA ILE A 16 -0.297 -3.618 9.753 1.00 0.00 C ATOM 210 C ILE A 16 -0.631 -2.171 9.383 1.00 0.00 C ATOM 211 O ILE A 16 -0.967 -1.882 8.236 1.00 0.00 O ATOM 212 CB ILE A 16 1.202 -3.924 9.749 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.515 -5.138 10.626 1.00 0.00 C ATOM 214 CG2 ILE A 16 2.013 -2.695 10.161 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.122 -6.439 9.923 1.00 0.00 C ATOM 0 H ILE A 16 -0.607 -4.581 7.918 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.626 -3.769 10.781 1.00 0.00 H new ATOM 0 HB ILE A 16 1.497 -4.177 8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.579 -5.155 10.863 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.979 -5.056 11.572 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.075 -2.940 10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.821 -1.881 9.462 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.722 -2.387 11.165 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.355 -7.286 10.568 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.053 -6.429 9.710 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.677 -6.530 8.990 1.00 0.00 H new ATOM 227 N LYS A 17 -0.525 -1.301 10.377 1.00 0.00 N ATOM 228 CA LYS A 17 -0.811 0.109 10.170 1.00 0.00 C ATOM 229 C LYS A 17 0.479 0.915 10.330 1.00 0.00 C ATOM 230 O LYS A 17 1.442 0.440 10.933 1.00 0.00 O ATOM 231 CB LYS A 17 -1.941 0.567 11.094 1.00 0.00 C ATOM 232 CG LYS A 17 -1.516 0.489 12.561 1.00 0.00 C ATOM 233 CD LYS A 17 -2.326 1.462 13.420 1.00 0.00 C ATOM 234 CE LYS A 17 -2.716 0.823 14.754 1.00 0.00 C ATOM 235 NZ LYS A 17 -4.150 1.052 15.038 1.00 0.00 N ATOM 0 H LYS A 17 -0.245 -1.545 11.327 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.171 0.280 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.224 1.590 10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.822 -0.055 10.933 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.653 -0.528 12.929 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.454 0.719 12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.742 2.364 13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.224 1.766 12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.511 -0.247 14.725 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.109 1.242 15.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.398 0.612 15.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.335 2.074 15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.725 0.631 14.281 1.00 0.00 H new ATOM 249 N ILE A 18 0.458 2.121 9.781 1.00 0.00 N ATOM 250 CA ILE A 18 1.615 2.997 9.856 1.00 0.00 C ATOM 251 C ILE A 18 1.253 4.245 10.663 1.00 0.00 C ATOM 252 O ILE A 18 0.400 5.030 10.251 1.00 0.00 O ATOM 253 CB ILE A 18 2.145 3.304 8.454 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.415 2.016 7.675 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.381 4.204 8.520 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.911 2.130 6.235 1.00 0.00 C ATOM 0 H ILE A 18 -0.342 2.512 9.283 1.00 0.00 H new ATOM 0 HA ILE A 18 2.433 2.504 10.381 1.00 0.00 H new ATOM 0 HB ILE A 18 1.376 3.853 7.911 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.484 1.805 7.674 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.925 1.178 8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.738 4.407 7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.122 5.143 9.009 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.165 3.704 9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.115 1.201 5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.837 2.317 6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.421 2.954 5.735 1.00 0.00 H new ATOM 268 N THR A 19 1.918 4.389 11.800 1.00 0.00 N ATOM 269 CA THR A 19 1.677 5.528 12.669 1.00 0.00 C ATOM 270 C THR A 19 2.517 6.727 12.223 1.00 0.00 C ATOM 271 O THR A 19 3.701 6.582 11.924 1.00 0.00 O ATOM 272 CB THR A 19 1.957 5.092 14.109 1.00 0.00 C ATOM 273 OG1 THR A 19 2.866 4.003 13.971 1.00 0.00 O ATOM 274 CG2 THR A 19 0.731 4.469 14.781 1.00 0.00 C ATOM 0 H THR A 19 2.624 3.735 12.139 1.00 0.00 H new ATOM 0 HA THR A 19 0.640 5.858 12.610 1.00 0.00 H new ATOM 0 HB THR A 19 2.293 5.951 14.690 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.102 3.660 14.858 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.984 4.177 15.800 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.081 5.196 14.802 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.416 3.590 14.219 1.00 0.00 H new ATOM 449 N LEU A 32 4.931 9.705 4.894 1.00 0.00 N ATOM 450 CA LEU A 32 5.132 8.492 5.667 1.00 0.00 C ATOM 451 C LEU A 32 6.460 7.849 5.264 1.00 0.00 C ATOM 452 O LEU A 32 7.411 7.838 6.044 1.00 0.00 O ATOM 453 CB LEU A 32 3.928 7.558 5.521 1.00 0.00 C ATOM 454 CG LEU A 32 2.579 8.131 5.959 1.00 0.00 C ATOM 455 CD1 LEU A 32 1.423 7.283 5.423 1.00 0.00 C ATOM 456 CD2 LEU A 32 2.517 8.289 7.480 1.00 0.00 C ATOM 0 HA LEU A 32 5.200 8.725 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.851 7.257 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.122 6.654 6.099 1.00 0.00 H new ATOM 0 HG LEU A 32 2.475 9.127 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.475 7.712 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.458 7.266 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.511 6.266 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.547 8.698 7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.653 7.316 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.306 8.965 7.808 1.00 0.00 H new ATOM 468 N GLY A 33 6.484 7.330 4.045 1.00 0.00 N ATOM 469 CA GLY A 33 7.681 6.687 3.528 1.00 0.00 C ATOM 470 C GLY A 33 7.361 5.297 2.975 1.00 0.00 C ATOM 471 O GLY A 33 7.723 4.287 3.577 1.00 0.00 O ATOM 0 H GLY A 33 5.694 7.342 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.119 7.303 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.425 6.605 4.320 1.00 0.00 H new ATOM 475 N ILE A 34 6.687 5.290 1.835 1.00 0.00 N ATOM 476 CA ILE A 34 6.313 4.041 1.194 1.00 0.00 C ATOM 477 C ILE A 34 6.156 4.270 -0.310 1.00 0.00 C ATOM 478 O ILE A 34 5.513 5.231 -0.731 1.00 0.00 O ATOM 479 CB ILE A 34 5.069 3.447 1.858 1.00 0.00 C ATOM 480 CG1 ILE A 34 4.853 1.998 1.420 1.00 0.00 C ATOM 481 CG2 ILE A 34 3.839 4.317 1.594 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.201 1.179 2.536 1.00 0.00 C ATOM 0 H ILE A 34 6.390 6.130 1.338 1.00 0.00 H new ATOM 0 HA ILE A 34 7.100 3.298 1.323 1.00 0.00 H new ATOM 0 HB ILE A 34 5.229 3.436 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.223 1.973 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.809 1.551 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.969 3.873 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.007 5.316 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.664 4.383 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.059 0.152 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.845 1.186 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.235 1.615 2.790 1.00 0.00 H new ATOM 494 N ARG A 35 6.756 3.375 -1.081 1.00 0.00 N ATOM 495 CA ARG A 35 6.690 3.467 -2.529 1.00 0.00 C ATOM 496 C ARG A 35 6.073 2.196 -3.115 1.00 0.00 C ATOM 497 O ARG A 35 6.667 1.122 -3.043 1.00 0.00 O ATOM 498 CB ARG A 35 8.081 3.676 -3.131 1.00 0.00 C ATOM 499 CG ARG A 35 8.545 5.123 -2.954 1.00 0.00 C ATOM 500 CD ARG A 35 8.714 5.814 -4.309 1.00 0.00 C ATOM 501 NE ARG A 35 8.893 7.270 -4.115 1.00 0.00 N ATOM 502 CZ ARG A 35 8.996 8.154 -5.117 1.00 0.00 C ATOM 503 NH1 ARG A 35 8.938 7.736 -6.388 1.00 0.00 N ATOM 504 NH2 ARG A 35 9.157 9.457 -4.846 1.00 0.00 N ATOM 0 H ARG A 35 7.291 2.581 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 35 6.066 4.325 -2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.792 3.002 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.064 3.423 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.820 5.670 -2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.490 5.142 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.575 5.400 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.841 5.627 -4.934 1.00 0.00 H new ATOM 0 HE ARG A 35 8.941 7.623 -3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.815 6.745 -6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.016 8.409 -7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.201 9.775 -3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.236 10.130 -5.608 1.00 0.00 H new ATOM 518 N ILE A 36 4.888 2.361 -3.685 1.00 0.00 N ATOM 519 CA ILE A 36 4.183 1.240 -4.285 1.00 0.00 C ATOM 520 C ILE A 36 3.784 1.601 -5.717 1.00 0.00 C ATOM 521 O ILE A 36 3.266 2.689 -5.965 1.00 0.00 O ATOM 522 CB ILE A 36 3.004 0.817 -3.405 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.447 0.612 -1.955 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.314 -0.424 -3.975 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.289 0.864 -0.988 1.00 0.00 C ATOM 0 H ILE A 36 4.398 3.254 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 36 4.834 0.368 -4.346 1.00 0.00 H new ATOM 0 HB ILE A 36 2.270 1.623 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.820 -0.404 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.272 1.286 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.480 -0.704 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.943 -0.206 -4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.027 -1.247 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.630 0.712 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.935 1.888 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.476 0.172 -1.206 1.00 0.00 H new ATOM 537 N VAL A 37 4.041 0.668 -6.621 1.00 0.00 N ATOM 538 CA VAL A 37 3.716 0.874 -8.022 1.00 0.00 C ATOM 539 C VAL A 37 2.478 0.048 -8.380 1.00 0.00 C ATOM 540 O VAL A 37 2.503 -1.179 -8.307 1.00 0.00 O ATOM 541 CB VAL A 37 4.927 0.542 -8.895 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.526 0.420 -10.367 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.036 1.581 -8.713 1.00 0.00 C ATOM 0 H VAL A 37 4.471 -0.233 -6.411 1.00 0.00 H new ATOM 0 HA VAL A 37 3.475 1.921 -8.208 1.00 0.00 H new ATOM 0 HB VAL A 37 5.317 -0.424 -8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.406 0.184 -10.965 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.787 -0.374 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.099 1.363 -10.707 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.885 1.321 -9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.662 2.565 -8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.352 1.597 -7.670 1.00 0.00 H new ATOM 553 N GLY A 38 1.424 0.756 -8.758 1.00 0.00 N ATOM 554 CA GLY A 38 0.178 0.106 -9.128 1.00 0.00 C ATOM 555 C GLY A 38 0.125 -0.163 -10.633 1.00 0.00 C ATOM 556 O GLY A 38 0.932 0.372 -11.392 1.00 0.00 O ATOM 0 H GLY A 38 1.407 1.774 -8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.078 -0.833 -8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.664 0.734 -8.837 1.00 0.00 H new ATOM 560 N GLY A 39 -0.833 -0.992 -11.021 1.00 0.00 N ATOM 561 CA GLY A 39 -1.002 -1.337 -12.422 1.00 0.00 C ATOM 562 C GLY A 39 0.052 -2.354 -12.867 1.00 0.00 C ATOM 563 O GLY A 39 0.196 -2.623 -14.058 1.00 0.00 O ATOM 0 H GLY A 39 -1.500 -1.435 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.999 -1.748 -12.581 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.926 -0.438 -13.033 1.00 0.00 H new ATOM 567 N LYS A 40 0.762 -2.891 -11.886 1.00 0.00 N ATOM 568 CA LYS A 40 1.797 -3.872 -12.160 1.00 0.00 C ATOM 569 C LYS A 40 1.175 -5.269 -12.196 1.00 0.00 C ATOM 570 O LYS A 40 0.230 -5.551 -11.461 1.00 0.00 O ATOM 571 CB LYS A 40 2.945 -3.735 -11.157 1.00 0.00 C ATOM 572 CG LYS A 40 4.213 -4.413 -11.679 1.00 0.00 C ATOM 573 CD LYS A 40 5.062 -3.434 -12.493 1.00 0.00 C ATOM 574 CE LYS A 40 6.363 -4.092 -12.958 1.00 0.00 C ATOM 575 NZ LYS A 40 6.189 -4.695 -14.298 1.00 0.00 N ATOM 0 H LYS A 40 0.640 -2.665 -10.899 1.00 0.00 H new ATOM 0 HA LYS A 40 2.238 -3.695 -13.141 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.144 -2.680 -10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.656 -4.180 -10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.796 -4.796 -10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.944 -5.269 -12.298 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.496 -3.088 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.290 -2.556 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.162 -3.351 -12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.665 -4.858 -12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.081 -5.137 -14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.441 -5.416 -14.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.922 -3.956 -14.979 1.00 0.00 H new ATOM 589 N GLU A 41 1.730 -6.108 -13.059 1.00 0.00 N ATOM 590 CA GLU A 41 1.240 -7.468 -13.201 1.00 0.00 C ATOM 591 C GLU A 41 1.692 -8.321 -12.013 1.00 0.00 C ATOM 592 O GLU A 41 2.861 -8.290 -11.632 1.00 0.00 O ATOM 593 CB GLU A 41 1.703 -8.082 -14.524 1.00 0.00 C ATOM 594 CG GLU A 41 0.539 -8.763 -15.248 1.00 0.00 C ATOM 595 CD GLU A 41 0.803 -8.846 -16.753 1.00 0.00 C ATOM 596 OE1 GLU A 41 1.834 -9.453 -17.115 1.00 0.00 O ATOM 597 OE2 GLU A 41 -0.031 -8.300 -17.507 1.00 0.00 O ATOM 0 H GLU A 41 2.514 -5.872 -13.667 1.00 0.00 H new ATOM 0 HA GLU A 41 0.150 -7.442 -13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.128 -7.306 -15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.494 -8.808 -14.335 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.392 -9.765 -14.845 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.381 -8.208 -15.067 1.00 0.00 H new ATOM 604 N ILE A 42 0.741 -9.061 -11.462 1.00 0.00 N ATOM 605 CA ILE A 42 1.027 -9.920 -10.325 1.00 0.00 C ATOM 606 C ILE A 42 1.476 -11.292 -10.829 1.00 0.00 C ATOM 607 O ILE A 42 0.934 -11.807 -11.806 1.00 0.00 O ATOM 608 CB ILE A 42 -0.175 -9.975 -9.379 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.607 -8.569 -8.958 1.00 0.00 C ATOM 610 CG2 ILE A 42 0.115 -10.872 -8.175 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.074 -8.553 -8.524 1.00 0.00 C ATOM 0 H ILE A 42 -0.227 -9.084 -11.781 1.00 0.00 H new ATOM 0 HA ILE A 42 1.848 -9.512 -9.736 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.012 -10.420 -9.916 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.022 -8.222 -8.139 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.462 -7.877 -9.787 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.755 -10.893 -7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.335 -11.883 -8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.972 -10.480 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.355 -7.542 -8.230 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.702 -8.878 -9.353 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.211 -9.228 -7.679 1.00 0.00 H new ATOM 623 N PRO A 43 2.489 -11.861 -10.122 1.00 0.00 N ATOM 624 CA PRO A 43 3.018 -13.164 -10.488 1.00 0.00 C ATOM 625 C PRO A 43 2.057 -14.281 -10.075 1.00 0.00 C ATOM 626 O PRO A 43 1.547 -15.011 -10.924 1.00 0.00 O ATOM 627 CB PRO A 43 4.366 -13.251 -9.790 1.00 0.00 C ATOM 628 CG PRO A 43 4.335 -12.201 -8.692 1.00 0.00 C ATOM 629 CD PRO A 43 3.156 -11.280 -8.959 1.00 0.00 C ATOM 0 HA PRO A 43 3.134 -13.284 -11.565 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.527 -14.246 -9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.181 -13.061 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.236 -12.674 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.266 -11.635 -8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.486 -11.234 -8.100 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.487 -10.261 -9.160 1.00 0.00 H new ATOM 637 N GLY A 44 1.839 -14.379 -8.772 1.00 0.00 N ATOM 638 CA GLY A 44 0.948 -15.395 -8.237 1.00 0.00 C ATOM 639 C GLY A 44 -0.313 -15.524 -9.092 1.00 0.00 C ATOM 640 O GLY A 44 -0.512 -16.534 -9.765 1.00 0.00 O ATOM 0 H GLY A 44 2.264 -13.772 -8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.465 -16.354 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.673 -15.140 -7.213 1.00 0.00 H new ATOM 644 N HIS A 45 -1.134 -14.485 -9.039 1.00 0.00 N ATOM 645 CA HIS A 45 -2.372 -14.468 -9.800 1.00 0.00 C ATOM 646 C HIS A 45 -2.106 -14.967 -11.222 1.00 0.00 C ATOM 647 O HIS A 45 -0.954 -15.088 -11.636 1.00 0.00 O ATOM 648 CB HIS A 45 -3.010 -13.078 -9.769 1.00 0.00 C ATOM 649 CG HIS A 45 -4.096 -12.924 -8.730 1.00 0.00 C ATOM 650 ND1 HIS A 45 -5.366 -12.467 -9.034 1.00 0.00 N ATOM 651 CD2 HIS A 45 -4.086 -13.172 -7.389 1.00 0.00 C ATOM 652 CE1 HIS A 45 -6.080 -12.444 -7.919 1.00 0.00 C ATOM 653 NE2 HIS A 45 -5.285 -12.882 -6.900 1.00 0.00 N ATOM 0 H HIS A 45 -0.966 -13.648 -8.480 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.094 -15.145 -9.343 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.233 -12.337 -9.581 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.428 -12.859 -10.752 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.245 -13.542 -6.821 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.111 -12.133 -7.831 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.566 -12.972 -5.924 1.00 0.00 H new ATOM 661 N SER A 46 -3.192 -15.242 -11.931 1.00 0.00 N ATOM 662 CA SER A 46 -3.090 -15.725 -13.297 1.00 0.00 C ATOM 663 C SER A 46 -2.897 -14.547 -14.255 1.00 0.00 C ATOM 664 O SER A 46 -2.004 -14.570 -15.100 1.00 0.00 O ATOM 665 CB SER A 46 -4.329 -16.531 -13.690 1.00 0.00 C ATOM 666 OG SER A 46 -3.988 -17.753 -14.338 1.00 0.00 O ATOM 0 H SER A 46 -4.146 -15.139 -11.585 1.00 0.00 H new ATOM 0 HA SER A 46 -2.225 -16.385 -13.363 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.919 -16.746 -12.799 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.956 -15.933 -14.351 1.00 0.00 H new ATOM 0 HG SER A 46 -4.806 -18.239 -14.571 1.00 0.00 H new ATOM 672 N GLY A 47 -3.750 -13.547 -14.091 1.00 0.00 N ATOM 673 CA GLY A 47 -3.685 -12.363 -14.931 1.00 0.00 C ATOM 674 C GLY A 47 -4.479 -11.209 -14.315 1.00 0.00 C ATOM 675 O GLY A 47 -5.677 -11.075 -14.559 1.00 0.00 O ATOM 0 H GLY A 47 -4.490 -13.532 -13.389 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.645 -12.064 -15.064 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.079 -12.593 -15.921 1.00 0.00 H new ATOM 679 N GLU A 48 -3.780 -10.406 -13.527 1.00 0.00 N ATOM 680 CA GLU A 48 -4.403 -9.268 -12.874 1.00 0.00 C ATOM 681 C GLU A 48 -3.345 -8.239 -12.472 1.00 0.00 C ATOM 682 O GLU A 48 -2.212 -8.600 -12.156 1.00 0.00 O ATOM 683 CB GLU A 48 -5.223 -9.714 -11.661 1.00 0.00 C ATOM 684 CG GLU A 48 -6.151 -8.595 -11.185 1.00 0.00 C ATOM 685 CD GLU A 48 -7.343 -8.433 -12.130 1.00 0.00 C ATOM 686 OE1 GLU A 48 -8.243 -9.298 -12.063 1.00 0.00 O ATOM 687 OE2 GLU A 48 -7.328 -7.446 -12.898 1.00 0.00 O ATOM 0 H GLU A 48 -2.787 -10.521 -13.326 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.086 -8.798 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.812 -10.594 -11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.553 -10.005 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.507 -8.816 -10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.597 -7.658 -11.128 1.00 0.00 H new ATOM 694 N ILE A 49 -3.751 -6.978 -12.498 1.00 0.00 N ATOM 695 CA ILE A 49 -2.851 -5.895 -12.141 1.00 0.00 C ATOM 696 C ILE A 49 -3.096 -5.494 -10.685 1.00 0.00 C ATOM 697 O ILE A 49 -4.213 -5.611 -10.184 1.00 0.00 O ATOM 698 CB ILE A 49 -2.989 -4.736 -13.130 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.460 -4.391 -13.368 1.00 0.00 C ATOM 700 CG2 ILE A 49 -2.253 -5.039 -14.437 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.618 -2.931 -13.799 1.00 0.00 C ATOM 0 H ILE A 49 -4.691 -6.682 -12.761 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.814 -6.222 -12.212 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.518 -3.856 -12.692 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.872 -5.047 -14.135 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.031 -4.569 -12.457 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.367 -4.199 -15.122 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.195 -5.197 -14.230 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.672 -5.937 -14.891 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.673 -2.712 -13.962 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.228 -2.277 -13.019 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.066 -2.763 -14.724 1.00 0.00 H new ATOM 713 N GLY A 50 -2.033 -5.028 -10.046 1.00 0.00 N ATOM 714 CA GLY A 50 -2.118 -4.609 -8.657 1.00 0.00 C ATOM 715 C GLY A 50 -0.949 -3.695 -8.288 1.00 0.00 C ATOM 716 O GLY A 50 -0.213 -3.238 -9.161 1.00 0.00 O ATOM 0 H GLY A 50 -1.108 -4.931 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.060 -4.087 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.118 -5.485 -8.008 1.00 0.00 H new ATOM 720 N ALA A 51 -0.814 -3.454 -6.992 1.00 0.00 N ATOM 721 CA ALA A 51 0.254 -2.601 -6.497 1.00 0.00 C ATOM 722 C ALA A 51 1.154 -3.411 -5.562 1.00 0.00 C ATOM 723 O ALA A 51 0.699 -4.355 -4.919 1.00 0.00 O ATOM 724 CB ALA A 51 -0.350 -1.375 -5.808 1.00 0.00 C ATOM 0 H ALA A 51 -1.426 -3.834 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 51 0.872 -2.241 -7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.450 -0.735 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.958 -0.819 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.974 -1.697 -4.974 1.00 0.00 H new ATOM 730 N TYR A 52 2.417 -3.011 -5.516 1.00 0.00 N ATOM 731 CA TYR A 52 3.386 -3.687 -4.671 1.00 0.00 C ATOM 732 C TYR A 52 4.492 -2.728 -4.228 1.00 0.00 C ATOM 733 O TYR A 52 4.908 -1.859 -4.993 1.00 0.00 O ATOM 734 CB TYR A 52 4.000 -4.792 -5.534 1.00 0.00 C ATOM 735 CG TYR A 52 4.990 -4.283 -6.583 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.529 -3.796 -7.789 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.346 -4.311 -6.324 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.461 -3.318 -8.777 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.278 -3.832 -7.311 1.00 0.00 C ATOM 740 CZ TYR A 52 6.790 -3.359 -8.489 1.00 0.00 C ATOM 741 OH TYR A 52 7.670 -2.907 -9.421 1.00 0.00 O ATOM 0 H TYR A 52 2.791 -2.227 -6.051 1.00 0.00 H new ATOM 0 HA TYR A 52 2.906 -4.076 -3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.508 -5.506 -4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.199 -5.333 -6.037 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.468 -3.773 -7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.708 -4.692 -5.380 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.113 -2.936 -9.725 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.341 -3.848 -7.120 1.00 0.00 H new ATOM 0 HH TYR A 52 8.584 -2.996 -9.078 1.00 0.00 H new ATOM 751 N ILE A 53 4.937 -2.917 -2.995 1.00 0.00 N ATOM 752 CA ILE A 53 5.988 -2.079 -2.441 1.00 0.00 C ATOM 753 C ILE A 53 7.231 -2.176 -3.327 1.00 0.00 C ATOM 754 O ILE A 53 7.786 -3.259 -3.509 1.00 0.00 O ATOM 755 CB ILE A 53 6.245 -2.441 -0.977 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.976 -2.276 -0.139 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.416 -1.634 -0.411 1.00 0.00 C ATOM 758 CD1 ILE A 53 5.118 -2.974 1.215 1.00 0.00 C ATOM 0 H ILE A 53 4.589 -3.638 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 53 5.680 -1.033 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 53 6.526 -3.493 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.772 -1.216 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.124 -2.690 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.578 -1.910 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.317 -1.847 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.188 -0.570 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.202 -2.841 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.297 -4.038 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.956 -2.541 1.761 1.00 0.00 H new ATOM 770 N ALA A 54 7.634 -1.029 -3.854 1.00 0.00 N ATOM 771 CA ALA A 54 8.802 -0.971 -4.717 1.00 0.00 C ATOM 772 C ALA A 54 10.044 -0.693 -3.868 1.00 0.00 C ATOM 773 O ALA A 54 11.034 -1.418 -3.954 1.00 0.00 O ATOM 774 CB ALA A 54 8.586 0.091 -5.797 1.00 0.00 C ATOM 0 H ALA A 54 7.173 -0.132 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 54 8.954 -1.925 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.462 0.135 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.709 -0.167 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.433 1.062 -5.327 1.00 0.00 H new ATOM 780 N LYS A 55 9.951 0.357 -3.066 1.00 0.00 N ATOM 781 CA LYS A 55 11.055 0.739 -2.202 1.00 0.00 C ATOM 782 C LYS A 55 10.503 1.216 -0.857 1.00 0.00 C ATOM 783 O LYS A 55 9.484 1.904 -0.809 1.00 0.00 O ATOM 784 CB LYS A 55 11.950 1.765 -2.898 1.00 0.00 C ATOM 785 CG LYS A 55 12.769 2.560 -1.879 1.00 0.00 C ATOM 786 CD LYS A 55 13.915 1.717 -1.317 1.00 0.00 C ATOM 787 CE LYS A 55 14.620 2.444 -0.170 1.00 0.00 C ATOM 788 NZ LYS A 55 15.707 1.605 0.385 1.00 0.00 N ATOM 0 H LYS A 55 9.128 0.955 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 55 11.694 -0.120 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.620 1.257 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.337 2.446 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.170 3.457 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.123 2.889 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.528 0.761 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.632 1.498 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.028 3.389 -0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.901 2.683 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.175 2.113 1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.309 0.714 0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.401 1.398 -0.361 1.00 0.00 H new ATOM 802 N ILE A 56 11.200 0.833 0.203 1.00 0.00 N ATOM 803 CA ILE A 56 10.792 1.214 1.544 1.00 0.00 C ATOM 804 C ILE A 56 11.844 2.147 2.147 1.00 0.00 C ATOM 805 O ILE A 56 12.981 1.739 2.378 1.00 0.00 O ATOM 806 CB ILE A 56 10.513 -0.028 2.393 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.249 -0.746 1.917 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.447 0.326 3.879 1.00 0.00 C ATOM 809 CD1 ILE A 56 8.643 -1.592 3.039 1.00 0.00 C ATOM 0 H ILE A 56 12.045 0.263 0.160 1.00 0.00 H new ATOM 0 HA ILE A 56 9.854 1.768 1.513 1.00 0.00 H new ATOM 0 HB ILE A 56 11.344 -0.722 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.518 -0.014 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.487 -1.383 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.248 -0.575 4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.398 0.757 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.648 1.049 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.746 -2.092 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.368 -2.339 3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.383 -0.949 3.880 1.00 0.00 H new ATOM 821 N LEU A 57 11.427 3.382 2.385 1.00 0.00 N ATOM 822 CA LEU A 57 12.319 4.376 2.955 1.00 0.00 C ATOM 823 C LEU A 57 13.171 3.725 4.047 1.00 0.00 C ATOM 824 O LEU A 57 12.789 2.697 4.606 1.00 0.00 O ATOM 825 CB LEU A 57 11.527 5.593 3.438 1.00 0.00 C ATOM 826 CG LEU A 57 10.821 6.407 2.352 1.00 0.00 C ATOM 827 CD1 LEU A 57 10.815 7.897 2.701 1.00 0.00 C ATOM 828 CD2 LEU A 57 11.441 6.143 0.979 1.00 0.00 C ATOM 0 H LEU A 57 10.483 3.716 2.193 1.00 0.00 H new ATOM 0 HA LEU A 57 13.005 4.751 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.779 5.254 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.207 6.254 3.976 1.00 0.00 H new ATOM 0 HG LEU A 57 9.781 6.083 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.307 8.453 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.292 8.047 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.841 8.253 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.921 6.734 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.494 6.422 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.350 5.084 0.736 1.00 0.00 H new ATOM 840 N PRO A 58 14.338 4.364 4.325 1.00 0.00 N ATOM 841 CA PRO A 58 15.246 3.858 5.340 1.00 0.00 C ATOM 842 C PRO A 58 14.714 4.145 6.745 1.00 0.00 C ATOM 843 O PRO A 58 14.700 5.293 7.185 1.00 0.00 O ATOM 844 CB PRO A 58 16.574 4.543 5.057 1.00 0.00 C ATOM 845 CG PRO A 58 16.244 5.749 4.192 1.00 0.00 C ATOM 846 CD PRO A 58 14.822 5.584 3.684 1.00 0.00 C ATOM 0 HA PRO A 58 15.355 2.774 5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.061 4.848 5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.259 3.869 4.543 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.339 6.669 4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.941 5.822 3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.205 6.442 3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.797 5.497 2.598 1.00 0.00 H new ATOM 854 N GLY A 59 14.288 3.082 7.410 1.00 0.00 N ATOM 855 CA GLY A 59 13.755 3.204 8.757 1.00 0.00 C ATOM 856 C GLY A 59 12.568 4.169 8.791 1.00 0.00 C ATOM 857 O GLY A 59 12.231 4.708 9.844 1.00 0.00 O ATOM 0 H GLY A 59 14.301 2.131 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.442 2.224 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.536 3.558 9.430 1.00 0.00 H new ATOM 861 N GLY A 60 11.965 4.355 7.626 1.00 0.00 N ATOM 862 CA GLY A 60 10.821 5.244 7.509 1.00 0.00 C ATOM 863 C GLY A 60 9.683 4.797 8.428 1.00 0.00 C ATOM 864 O GLY A 60 9.908 4.066 9.392 1.00 0.00 O ATOM 0 H GLY A 60 12.247 3.905 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.119 6.261 7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.474 5.261 6.476 1.00 0.00 H new ATOM 868 N SER A 61 8.484 5.253 8.097 1.00 0.00 N ATOM 869 CA SER A 61 7.309 4.909 8.881 1.00 0.00 C ATOM 870 C SER A 61 6.860 3.483 8.552 1.00 0.00 C ATOM 871 O SER A 61 6.483 2.726 9.445 1.00 0.00 O ATOM 872 CB SER A 61 6.168 5.897 8.626 1.00 0.00 C ATOM 873 OG SER A 61 6.490 7.211 9.075 1.00 0.00 O ATOM 0 H SER A 61 8.300 5.858 7.296 1.00 0.00 H new ATOM 0 HA SER A 61 7.573 4.966 9.937 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.942 5.923 7.560 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.268 5.551 9.134 1.00 0.00 H new ATOM 0 HG SER A 61 6.825 7.741 8.322 1.00 0.00 H new ATOM 879 N ALA A 62 6.914 3.162 7.268 1.00 0.00 N ATOM 880 CA ALA A 62 6.518 1.841 6.811 1.00 0.00 C ATOM 881 C ALA A 62 7.577 0.820 7.235 1.00 0.00 C ATOM 882 O ALA A 62 7.250 -0.323 7.552 1.00 0.00 O ATOM 883 CB ALA A 62 6.308 1.866 5.296 1.00 0.00 C ATOM 0 H ALA A 62 7.226 3.793 6.530 1.00 0.00 H new ATOM 0 HA ALA A 62 5.573 1.545 7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.011 0.875 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.527 2.585 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.237 2.156 4.805 1.00 0.00 H new ATOM 889 N GLU A 63 8.823 1.269 7.227 1.00 0.00 N ATOM 890 CA GLU A 63 9.931 0.410 7.606 1.00 0.00 C ATOM 891 C GLU A 63 9.945 0.199 9.122 1.00 0.00 C ATOM 892 O GLU A 63 10.374 -0.848 9.603 1.00 0.00 O ATOM 893 CB GLU A 63 11.263 0.985 7.121 1.00 0.00 C ATOM 894 CG GLU A 63 12.374 -0.065 7.193 1.00 0.00 C ATOM 895 CD GLU A 63 13.262 -0.011 5.948 1.00 0.00 C ATOM 896 OE1 GLU A 63 14.163 0.854 5.932 1.00 0.00 O ATOM 897 OE2 GLU A 63 13.019 -0.836 5.042 1.00 0.00 O ATOM 0 H GLU A 63 9.090 2.218 6.964 1.00 0.00 H new ATOM 0 HA GLU A 63 9.794 -0.558 7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.158 1.339 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.534 1.848 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.980 0.102 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.935 -1.058 7.288 1.00 0.00 H new ATOM 904 N GLN A 64 9.469 1.211 9.832 1.00 0.00 N ATOM 905 CA GLN A 64 9.421 1.150 11.283 1.00 0.00 C ATOM 906 C GLN A 64 8.711 -0.127 11.737 1.00 0.00 C ATOM 907 O GLN A 64 9.236 -0.873 12.562 1.00 0.00 O ATOM 908 CB GLN A 64 8.740 2.392 11.861 1.00 0.00 C ATOM 909 CG GLN A 64 9.774 3.427 12.308 1.00 0.00 C ATOM 910 CD GLN A 64 9.611 3.761 13.791 1.00 0.00 C ATOM 911 OE1 GLN A 64 9.257 2.925 14.608 1.00 0.00 O ATOM 912 NE2 GLN A 64 9.887 5.027 14.095 1.00 0.00 N ATOM 0 H GLN A 64 9.113 2.078 9.430 1.00 0.00 H new ATOM 0 HA GLN A 64 10.443 1.128 11.661 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.081 2.831 11.112 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.115 2.108 12.708 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.778 3.045 12.126 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.666 4.334 11.713 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.178 5.675 13.363 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.807 5.349 15.060 1.00 0.00 H new ATOM 921 N THR A 65 7.528 -0.339 11.179 1.00 0.00 N ATOM 922 CA THR A 65 6.741 -1.513 11.515 1.00 0.00 C ATOM 923 C THR A 65 7.616 -2.767 11.490 1.00 0.00 C ATOM 924 O THR A 65 7.656 -3.521 12.462 1.00 0.00 O ATOM 925 CB THR A 65 5.554 -1.579 10.552 1.00 0.00 C ATOM 926 OG1 THR A 65 6.158 -1.723 9.268 1.00 0.00 O ATOM 927 CG2 THR A 65 4.798 -0.253 10.461 1.00 0.00 C ATOM 0 H THR A 65 7.095 0.283 10.496 1.00 0.00 H new ATOM 0 HA THR A 65 6.350 -1.449 12.530 1.00 0.00 H new ATOM 0 HB THR A 65 4.870 -2.365 10.873 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.279 -0.839 8.863 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.966 -0.356 9.764 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.416 0.016 11.446 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.473 0.527 10.108 1.00 0.00 H new ATOM 935 N GLY A 66 8.296 -2.953 10.368 1.00 0.00 N ATOM 936 CA GLY A 66 9.167 -4.104 10.203 1.00 0.00 C ATOM 937 C GLY A 66 8.420 -5.269 9.551 1.00 0.00 C ATOM 938 O GLY A 66 9.011 -6.054 8.810 1.00 0.00 O ATOM 0 H GLY A 66 8.261 -2.326 9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.026 -3.830 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.554 -4.414 11.174 1.00 0.00 H new ATOM 942 N LYS A 67 7.132 -5.345 9.851 1.00 0.00 N ATOM 943 CA LYS A 67 6.298 -6.401 9.304 1.00 0.00 C ATOM 944 C LYS A 67 6.140 -6.192 7.796 1.00 0.00 C ATOM 945 O LYS A 67 5.644 -7.070 7.092 1.00 0.00 O ATOM 946 CB LYS A 67 4.968 -6.478 10.056 1.00 0.00 C ATOM 947 CG LYS A 67 4.962 -7.648 11.041 1.00 0.00 C ATOM 948 CD LYS A 67 4.151 -8.824 10.492 1.00 0.00 C ATOM 949 CE LYS A 67 4.179 -10.009 11.459 1.00 0.00 C ATOM 950 NZ LYS A 67 2.812 -10.328 11.929 1.00 0.00 N ATOM 0 H LYS A 67 6.646 -4.692 10.466 1.00 0.00 H new ATOM 0 HA LYS A 67 6.774 -7.372 9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.795 -5.545 10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.150 -6.593 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.985 -7.968 11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.541 -7.324 11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.120 -8.512 10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.554 -9.129 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.612 -10.879 10.965 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.817 -9.776 12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.850 -11.135 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.412 -9.502 12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.213 -10.571 11.115 1.00 0.00 H new ATOM 964 N LEU A 68 6.573 -5.024 7.345 1.00 0.00 N ATOM 965 CA LEU A 68 6.486 -4.688 5.934 1.00 0.00 C ATOM 966 C LEU A 68 7.831 -4.975 5.262 1.00 0.00 C ATOM 967 O LEU A 68 8.845 -5.137 5.939 1.00 0.00 O ATOM 968 CB LEU A 68 6.005 -3.247 5.755 1.00 0.00 C ATOM 969 CG LEU A 68 4.540 -2.981 6.105 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.637 -3.198 4.889 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.100 -3.826 7.303 1.00 0.00 C ATOM 0 H LEU A 68 6.985 -4.298 7.932 1.00 0.00 H new ATOM 0 HA LEU A 68 5.742 -5.312 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.628 -2.598 6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.169 -2.957 4.717 1.00 0.00 H new ATOM 0 HG LEU A 68 4.443 -1.935 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.601 -3.002 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.934 -2.519 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.732 -4.228 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.055 -3.618 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.216 -4.883 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.716 -3.580 8.168 1.00 0.00 H new ATOM 983 N MET A 69 7.796 -5.030 3.939 1.00 0.00 N ATOM 984 CA MET A 69 8.998 -5.294 3.168 1.00 0.00 C ATOM 985 C MET A 69 8.739 -5.120 1.670 1.00 0.00 C ATOM 986 O MET A 69 7.607 -5.266 1.211 1.00 0.00 O ATOM 987 CB MET A 69 9.477 -6.722 3.441 1.00 0.00 C ATOM 988 CG MET A 69 10.477 -6.753 4.598 1.00 0.00 C ATOM 989 SD MET A 69 11.891 -7.749 4.155 1.00 0.00 S ATOM 990 CE MET A 69 13.043 -6.467 3.696 1.00 0.00 C ATOM 0 H MET A 69 6.953 -4.896 3.381 1.00 0.00 H new ATOM 0 HA MET A 69 9.764 -4.580 3.470 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.623 -7.357 3.677 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.941 -7.132 2.544 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.797 -5.740 4.840 1.00 0.00 H new ATOM 0 HG3 MET A 69 10.001 -7.159 5.491 1.00 0.00 H new ATOM 0 HE1 MET A 69 13.987 -6.918 3.390 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.633 -5.888 2.868 1.00 0.00 H new ATOM 0 HE3 MET A 69 13.214 -5.810 4.548 1.00 0.00 H new ATOM 1000 N GLU A 70 9.807 -4.812 0.949 1.00 0.00 N ATOM 1001 CA GLU A 70 9.710 -4.617 -0.487 1.00 0.00 C ATOM 1002 C GLU A 70 9.352 -5.935 -1.179 1.00 0.00 C ATOM 1003 O GLU A 70 9.578 -7.011 -0.628 1.00 0.00 O ATOM 1004 CB GLU A 70 11.008 -4.036 -1.051 1.00 0.00 C ATOM 1005 CG GLU A 70 11.525 -2.896 -0.173 1.00 0.00 C ATOM 1006 CD GLU A 70 12.964 -3.160 0.278 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.876 -2.823 -0.509 1.00 0.00 O ATOM 1008 OE2 GLU A 70 13.119 -3.694 1.397 1.00 0.00 O ATOM 0 H GLU A 70 10.744 -4.693 1.333 1.00 0.00 H new ATOM 0 HA GLU A 70 8.914 -3.898 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.763 -4.820 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.837 -3.671 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.480 -1.957 -0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.881 -2.784 0.700 1.00 0.00 H new ATOM 1015 N GLY A 71 8.799 -5.806 -2.376 1.00 0.00 N ATOM 1016 CA GLY A 71 8.407 -6.973 -3.148 1.00 0.00 C ATOM 1017 C GLY A 71 7.023 -7.470 -2.728 1.00 0.00 C ATOM 1018 O GLY A 71 6.472 -8.380 -3.345 1.00 0.00 O ATOM 0 H GLY A 71 8.613 -4.912 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.402 -6.726 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.140 -7.768 -3.010 1.00 0.00 H new ATOM 1022 N MET A 72 6.501 -6.851 -1.679 1.00 0.00 N ATOM 1023 CA MET A 72 5.191 -7.219 -1.168 1.00 0.00 C ATOM 1024 C MET A 72 4.078 -6.627 -2.035 1.00 0.00 C ATOM 1025 O MET A 72 4.180 -5.489 -2.491 1.00 0.00 O ATOM 1026 CB MET A 72 5.043 -6.714 0.269 1.00 0.00 C ATOM 1027 CG MET A 72 5.870 -7.563 1.237 1.00 0.00 C ATOM 1028 SD MET A 72 4.902 -8.949 1.812 1.00 0.00 S ATOM 1029 CE MET A 72 4.914 -8.627 3.568 1.00 0.00 C ATOM 0 H MET A 72 6.961 -6.097 -1.169 1.00 0.00 H new ATOM 0 HA MET A 72 5.105 -8.305 -1.191 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.363 -5.674 0.327 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.993 -6.741 0.561 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.773 -7.920 0.741 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.190 -6.956 2.084 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.291 -9.363 4.077 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.935 -8.694 3.943 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.523 -7.627 3.757 1.00 0.00 H new ATOM 1039 N GLN A 73 3.041 -7.426 -2.237 1.00 0.00 N ATOM 1040 CA GLN A 73 1.909 -6.996 -3.041 1.00 0.00 C ATOM 1041 C GLN A 73 0.843 -6.349 -2.154 1.00 0.00 C ATOM 1042 O GLN A 73 0.255 -7.011 -1.301 1.00 0.00 O ATOM 1043 CB GLN A 73 1.325 -8.165 -3.836 1.00 0.00 C ATOM 1044 CG GLN A 73 0.148 -7.707 -4.699 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.724 -8.895 -5.112 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.243 -9.941 -5.516 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -2.030 -8.676 -4.990 1.00 0.00 N ATOM 0 H GLN A 73 2.961 -8.369 -1.858 1.00 0.00 H new ATOM 0 HA GLN A 73 2.259 -6.252 -3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.098 -8.600 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.996 -8.947 -3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.453 -6.985 -4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.521 -7.198 -5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.366 -7.777 -4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.695 -9.407 -5.241 1.00 0.00 H new ATOM 1056 N VAL A 74 0.627 -5.063 -2.387 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.357 -4.318 -1.620 1.00 0.00 C ATOM 1058 C VAL A 74 -1.761 -4.696 -2.098 1.00 0.00 C ATOM 1059 O VAL A 74 -2.155 -4.350 -3.211 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.075 -2.818 -1.721 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.022 -2.020 -0.822 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.386 -2.512 -1.386 1.00 0.00 C ATOM 0 H VAL A 74 1.117 -4.518 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.292 -4.576 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.254 -2.512 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.800 -0.957 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.053 -2.203 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.889 -2.331 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.560 -1.439 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.603 -2.841 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.037 -3.038 -2.084 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.477 -5.400 -1.234 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.828 -5.829 -1.554 1.00 0.00 C ATOM 1074 C LEU A 75 -4.778 -4.635 -1.433 1.00 0.00 C ATOM 1075 O LEU A 75 -5.458 -4.279 -2.394 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.230 -7.025 -0.690 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.214 -8.166 -0.610 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.380 -8.957 0.689 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.300 -9.066 -1.844 1.00 0.00 C ATOM 0 H LEU A 75 -2.147 -5.684 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.883 -6.179 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.426 -6.668 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.168 -7.426 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.214 -7.732 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.646 -9.762 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.229 -8.294 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.384 -9.379 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.567 -9.868 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.300 -9.494 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.094 -8.478 -2.738 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.795 -4.051 -0.244 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.651 -2.907 0.015 1.00 0.00 C ATOM 1093 C GLU A 76 -4.892 -1.847 0.818 1.00 0.00 C ATOM 1094 O GLU A 76 -3.930 -2.164 1.517 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.930 -3.331 0.739 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.809 -4.197 -0.165 1.00 0.00 C ATOM 1097 CD GLU A 76 -9.082 -4.635 0.564 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -8.998 -4.803 1.800 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -10.110 -4.790 -0.131 1.00 0.00 O ATOM 0 H GLU A 76 -4.229 -4.349 0.551 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.942 -2.472 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.674 -3.885 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.485 -2.447 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.074 -3.639 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.250 -5.075 -0.488 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.353 -0.611 0.691 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.730 0.496 1.396 1.00 0.00 C ATOM 1108 C TRP A 77 -5.842 1.373 1.975 1.00 0.00 C ATOM 1109 O TRP A 77 -6.580 2.016 1.232 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.778 1.265 0.477 1.00 0.00 C ATOM 1111 CG TRP A 77 -3.297 2.597 1.054 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.996 3.730 1.209 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.975 2.891 1.551 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -3.224 4.729 1.767 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.956 4.202 1.982 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.832 2.076 1.635 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.820 4.814 2.525 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.296 2.703 2.180 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.330 4.022 2.617 1.00 0.00 C ATOM 0 H TRP A 77 -6.151 -0.352 0.110 1.00 0.00 H new ATOM 0 HA TRP A 77 -4.111 0.132 2.216 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.911 0.639 0.263 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.278 1.452 -0.473 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.033 3.847 0.932 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.528 5.679 1.982 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.824 1.048 1.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.831 5.842 2.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.202 2.121 2.267 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.241 4.434 3.026 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.924 1.371 3.297 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.933 2.159 3.984 1.00 0.00 C ATOM 1132 C ASN A 78 -8.320 1.755 3.481 1.00 0.00 C ATOM 1133 O ASN A 78 -9.215 2.592 3.379 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.748 3.653 3.711 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.811 4.287 4.741 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -5.612 3.780 5.833 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.249 5.421 4.334 1.00 0.00 N ATOM 0 H ASN A 78 -5.309 0.837 3.910 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.833 1.973 5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.343 3.796 2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.716 4.154 3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.608 5.922 4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.459 5.790 3.407 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.455 0.471 3.181 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.717 -0.054 2.689 1.00 0.00 C ATOM 1146 C GLY A 79 -9.761 -0.039 1.160 1.00 0.00 C ATOM 1147 O GLY A 79 -10.156 -1.023 0.537 1.00 0.00 O ATOM 0 H GLY A 79 -7.711 -0.221 3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.856 -1.073 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.541 0.540 3.085 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.350 1.090 0.600 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.337 1.247 -0.845 1.00 0.00 C ATOM 1153 C ILE A 80 -8.409 0.197 -1.459 1.00 0.00 C ATOM 1154 O ILE A 80 -7.215 0.168 -1.164 1.00 0.00 O ATOM 1155 CB ILE A 80 -8.975 2.684 -1.224 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -10.020 3.669 -0.699 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -8.769 2.817 -2.734 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.424 4.579 0.377 1.00 0.00 C ATOM 0 H ILE A 80 -9.024 1.904 1.121 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.331 1.074 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.028 2.935 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.401 4.274 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.868 3.121 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.513 3.848 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.960 2.158 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.687 2.540 -3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.188 5.270 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.066 3.973 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.592 5.144 -0.044 1.00 0.00 H new ATOM 1170 N PRO A 81 -9.010 -0.665 -2.324 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.251 -1.714 -2.982 1.00 0.00 C ATOM 1172 C PRO A 81 -7.380 -1.141 -4.102 1.00 0.00 C ATOM 1173 O PRO A 81 -7.795 -0.222 -4.808 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.294 -2.698 -3.486 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.610 -1.937 -3.502 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.421 -0.661 -2.698 1.00 0.00 C ATOM 0 HA PRO A 81 -7.548 -2.208 -2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.040 -3.060 -4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.355 -3.570 -2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.903 -1.703 -4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.407 -2.544 -3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.672 0.220 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.064 -0.648 -1.818 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.189 -1.707 -4.231 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.256 -1.263 -5.253 1.00 0.00 C ATOM 1186 C LEU A 82 -5.336 -2.206 -6.455 1.00 0.00 C ATOM 1187 O LEU A 82 -4.853 -1.880 -7.538 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.848 -1.129 -4.671 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.702 -0.178 -3.480 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.265 -0.176 -2.954 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.184 1.228 -3.839 1.00 0.00 C ATOM 0 H LEU A 82 -5.849 -2.469 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.526 -0.268 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.507 -2.118 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.179 -0.793 -5.463 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.339 -0.539 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.188 0.507 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.993 -1.182 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.588 0.148 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.069 1.883 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.593 1.614 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.234 1.190 -4.129 1.00 0.00 H new ATOM 1203 N THR A 83 -5.952 -3.357 -6.223 1.00 0.00 N ATOM 1204 CA THR A 83 -6.103 -4.350 -7.273 1.00 0.00 C ATOM 1205 C THR A 83 -7.081 -3.854 -8.339 1.00 0.00 C ATOM 1206 O THR A 83 -8.202 -3.457 -8.022 1.00 0.00 O ATOM 1207 CB THR A 83 -6.528 -5.666 -6.622 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.378 -6.081 -5.890 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.741 -6.784 -7.645 1.00 0.00 C ATOM 0 H THR A 83 -6.352 -3.623 -5.323 1.00 0.00 H new ATOM 0 HA THR A 83 -5.162 -4.520 -7.795 1.00 0.00 H new ATOM 0 HB THR A 83 -7.447 -5.510 -6.058 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.568 -6.928 -5.435 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.042 -7.696 -7.130 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.521 -6.490 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.812 -6.963 -8.187 1.00 0.00 H new ATOM 1217 N SER A 84 -6.624 -3.894 -9.582 1.00 0.00 N ATOM 1218 CA SER A 84 -7.447 -3.454 -10.696 1.00 0.00 C ATOM 1219 C SER A 84 -7.399 -1.929 -10.812 1.00 0.00 C ATOM 1220 O SER A 84 -8.376 -1.303 -11.221 1.00 0.00 O ATOM 1221 CB SER A 84 -8.892 -3.930 -10.536 1.00 0.00 C ATOM 1222 OG SER A 84 -9.431 -4.421 -11.759 1.00 0.00 O ATOM 0 H SER A 84 -5.695 -4.224 -9.842 1.00 0.00 H new ATOM 0 HA SER A 84 -7.048 -3.894 -11.610 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.934 -4.715 -9.781 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.507 -3.106 -10.174 1.00 0.00 H new ATOM 0 HG SER A 84 -10.354 -4.716 -11.614 1.00 0.00 H new ATOM 1228 N LYS A 85 -6.253 -1.376 -10.445 1.00 0.00 N ATOM 1229 CA LYS A 85 -6.065 0.064 -10.501 1.00 0.00 C ATOM 1230 C LYS A 85 -4.828 0.380 -11.346 1.00 0.00 C ATOM 1231 O LYS A 85 -4.225 -0.520 -11.929 1.00 0.00 O ATOM 1232 CB LYS A 85 -6.013 0.654 -9.091 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.072 0.015 -8.190 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.468 0.544 -8.524 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.065 1.303 -7.338 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.136 2.217 -7.794 1.00 0.00 N ATOM 0 H LYS A 85 -5.445 -1.899 -10.108 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.916 0.540 -10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.023 0.496 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.172 1.731 -9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.051 -1.068 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.840 0.224 -7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.413 1.202 -9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.120 -0.286 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.466 0.597 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.284 1.871 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.531 2.725 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.743 2.902 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.888 1.667 -8.256 1.00 0.00 H new ATOM 1250 N THR A 86 -4.488 1.660 -11.384 1.00 0.00 N ATOM 1251 CA THR A 86 -3.335 2.105 -12.148 1.00 0.00 C ATOM 1252 C THR A 86 -2.336 2.818 -11.236 1.00 0.00 C ATOM 1253 O THR A 86 -2.707 3.330 -10.181 1.00 0.00 O ATOM 1254 CB THR A 86 -3.838 2.978 -13.299 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.405 4.113 -12.651 1.00 0.00 O ATOM 1256 CG2 THR A 86 -5.017 2.345 -14.042 1.00 0.00 C ATOM 0 H THR A 86 -4.991 2.403 -10.898 1.00 0.00 H new ATOM 0 HA THR A 86 -2.793 1.261 -12.575 1.00 0.00 H new ATOM 0 HB THR A 86 -3.023 3.160 -14.000 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.377 4.003 -12.589 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.335 3.005 -14.849 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.712 1.385 -14.458 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.845 2.194 -13.349 1.00 0.00 H new ATOM 1264 N TYR A 87 -1.085 2.831 -11.675 1.00 0.00 N ATOM 1265 CA TYR A 87 -0.030 3.474 -10.912 1.00 0.00 C ATOM 1266 C TYR A 87 -0.526 4.773 -10.277 1.00 0.00 C ATOM 1267 O TYR A 87 -0.568 4.894 -9.054 1.00 0.00 O ATOM 1268 CB TYR A 87 1.078 3.799 -11.917 1.00 0.00 C ATOM 1269 CG TYR A 87 2.344 4.375 -11.281 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.372 5.691 -10.864 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.460 3.579 -11.123 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.564 6.232 -10.266 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.653 4.120 -10.524 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.645 5.421 -10.125 1.00 0.00 C ATOM 1275 OH TYR A 87 5.772 5.933 -9.560 1.00 0.00 O ATOM 0 H TYR A 87 -0.779 2.406 -12.550 1.00 0.00 H new ATOM 0 HA TYR A 87 0.313 2.824 -10.107 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.338 2.892 -12.462 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.694 4.511 -12.648 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.499 6.315 -10.987 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.439 2.550 -11.449 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.599 7.260 -9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.533 3.508 -10.395 1.00 0.00 H new ATOM 0 HH TYR A 87 6.463 5.239 -9.523 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.889 5.714 -11.137 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.380 7.001 -10.676 1.00 0.00 C ATOM 1287 C GLU A 88 -2.404 6.808 -9.554 1.00 0.00 C ATOM 1288 O GLU A 88 -2.156 7.185 -8.411 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.978 7.806 -11.831 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.952 8.785 -12.406 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.330 10.231 -12.078 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -1.256 10.578 -10.880 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -1.683 10.956 -13.033 1.00 0.00 O ATOM 0 H GLU A 88 -0.853 5.610 -12.151 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.538 7.568 -10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.318 7.128 -12.614 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.853 8.354 -11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.035 8.563 -12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.889 8.658 -13.487 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.533 6.218 -9.923 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.594 5.970 -8.963 1.00 0.00 C ATOM 1302 C GLU A 89 -4.006 5.514 -7.626 1.00 0.00 C ATOM 1303 O GLU A 89 -4.030 6.258 -6.647 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.592 4.943 -9.502 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.431 5.536 -10.636 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.485 4.538 -11.119 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -8.419 4.274 -10.331 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -7.333 4.061 -12.264 1.00 0.00 O ATOM 0 H GLU A 89 -3.735 5.905 -10.873 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.134 6.902 -8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.056 4.065 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.247 4.609 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.919 6.448 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.782 5.815 -11.466 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.491 4.293 -7.630 1.00 0.00 N ATOM 1316 CA VAL A 90 -2.897 3.728 -6.429 1.00 0.00 C ATOM 1317 C VAL A 90 -2.077 4.806 -5.716 1.00 0.00 C ATOM 1318 O VAL A 90 -2.392 5.185 -4.589 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.074 2.489 -6.786 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.484 1.843 -5.531 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.911 1.484 -7.579 1.00 0.00 C ATOM 0 H VAL A 90 -3.473 3.679 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.672 3.398 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.246 2.808 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.904 0.964 -5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.837 2.558 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.291 1.545 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.302 0.613 -7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.768 1.173 -6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.260 1.949 -8.501 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.042 5.267 -6.402 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.175 6.293 -5.848 1.00 0.00 C ATOM 1333 C GLN A 91 -1.009 7.420 -5.236 1.00 0.00 C ATOM 1334 O GLN A 91 -0.753 7.847 -4.112 1.00 0.00 O ATOM 1335 CB GLN A 91 0.782 6.835 -6.912 1.00 0.00 C ATOM 1336 CG GLN A 91 2.218 6.884 -6.384 1.00 0.00 C ATOM 1337 CD GLN A 91 2.883 8.217 -6.728 1.00 0.00 C ATOM 1338 OE1 GLN A 91 2.268 9.271 -6.711 1.00 0.00 O ATOM 1339 NE2 GLN A 91 4.172 8.115 -7.041 1.00 0.00 N ATOM 0 H GLN A 91 -0.784 4.949 -7.336 1.00 0.00 H new ATOM 0 HA GLN A 91 0.428 5.844 -5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.739 6.205 -7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.468 7.834 -7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.217 6.742 -5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.795 6.064 -6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.627 7.202 -7.036 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.705 8.950 -7.286 1.00 0.00 H new ATOM 1348 N SER A 92 -1.991 7.870 -6.004 1.00 0.00 N ATOM 1349 CA SER A 92 -2.864 8.939 -5.552 1.00 0.00 C ATOM 1350 C SER A 92 -3.607 8.507 -4.285 1.00 0.00 C ATOM 1351 O SER A 92 -3.851 9.321 -3.396 1.00 0.00 O ATOM 1352 CB SER A 92 -3.861 9.336 -6.642 1.00 0.00 C ATOM 1353 OG SER A 92 -4.108 10.738 -6.656 1.00 0.00 O ATOM 0 H SER A 92 -2.201 7.513 -6.936 1.00 0.00 H new ATOM 0 HA SER A 92 -2.249 9.810 -5.327 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.477 9.026 -7.614 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.800 8.804 -6.485 1.00 0.00 H new ATOM 0 HG SER A 92 -4.748 10.950 -7.367 1.00 0.00 H new ATOM 1359 N ILE A 93 -3.946 7.227 -4.245 1.00 0.00 N ATOM 1360 CA ILE A 93 -4.657 6.678 -3.102 1.00 0.00 C ATOM 1361 C ILE A 93 -3.700 6.579 -1.911 1.00 0.00 C ATOM 1362 O ILE A 93 -3.936 7.187 -0.870 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.319 5.348 -3.471 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.335 5.537 -4.599 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.943 4.686 -2.242 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -6.817 4.188 -5.134 1.00 0.00 C ATOM 0 H ILE A 93 -3.742 6.555 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.470 7.341 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.547 4.673 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.186 6.113 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.884 6.113 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.406 3.743 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.169 4.496 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.699 5.346 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.538 4.351 -5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.967 3.625 -5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.290 3.625 -4.329 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.642 5.805 -2.106 1.00 0.00 N ATOM 1379 CA ILE A 94 -1.650 5.618 -1.062 1.00 0.00 C ATOM 1380 C ILE A 94 -1.090 6.980 -0.647 1.00 0.00 C ATOM 1381 O ILE A 94 -0.768 7.193 0.521 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.578 4.625 -1.514 1.00 0.00 C ATOM 1383 CG1 ILE A 94 0.086 5.087 -2.813 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -1.155 3.213 -1.636 1.00 0.00 C ATOM 1385 CD1 ILE A 94 0.574 3.891 -3.635 1.00 0.00 C ATOM 0 H ILE A 94 -2.451 5.300 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.107 5.177 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 94 0.199 4.591 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.623 5.671 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.926 5.742 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.372 2.527 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.542 2.893 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.963 3.212 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.042 4.247 -4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.300 3.323 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.272 3.251 -3.884 1.00 0.00 H new ATOM 1397 N SER A 95 -0.990 7.867 -1.627 1.00 0.00 N ATOM 1398 CA SER A 95 -0.475 9.203 -1.377 1.00 0.00 C ATOM 1399 C SER A 95 -1.591 10.104 -0.846 1.00 0.00 C ATOM 1400 O SER A 95 -2.730 9.664 -0.694 1.00 0.00 O ATOM 1401 CB SER A 95 0.134 9.804 -2.646 1.00 0.00 C ATOM 1402 OG SER A 95 1.170 8.985 -3.180 1.00 0.00 O ATOM 0 H SER A 95 -1.257 7.687 -2.595 1.00 0.00 H new ATOM 0 HA SER A 95 0.312 9.131 -0.627 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.646 9.936 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.533 10.794 -2.423 1.00 0.00 H new ATOM 0 HG SER A 95 0.788 8.140 -3.497 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.226 11.349 -0.578 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.183 12.316 -0.067 1.00 0.00 C ATOM 1410 C GLN A 96 -3.050 11.679 1.021 1.00 0.00 C ATOM 1411 O GLN A 96 -4.271 11.606 0.884 1.00 0.00 O ATOM 1412 CB GLN A 96 -3.046 12.881 -1.195 1.00 0.00 C ATOM 1413 CG GLN A 96 -2.293 13.962 -1.973 1.00 0.00 C ATOM 1414 CD GLN A 96 -3.067 14.377 -3.226 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -3.505 13.558 -4.016 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -3.212 15.692 -3.361 1.00 0.00 N ATOM 0 H GLN A 96 -0.281 11.711 -0.705 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.632 13.146 0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.338 12.078 -1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.964 13.299 -0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.135 14.831 -1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.308 13.591 -2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.820 16.323 -2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.715 16.070 -4.164 1.00 0.00 H new ATOM 1425 N GLN A 97 -2.387 11.235 2.078 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.082 10.608 3.190 1.00 0.00 C ATOM 1427 C GLN A 97 -2.703 11.290 4.506 1.00 0.00 C ATOM 1428 O GLN A 97 -1.527 11.532 4.768 1.00 0.00 O ATOM 1429 CB GLN A 97 -2.786 9.108 3.245 1.00 0.00 C ATOM 1430 CG GLN A 97 -4.034 8.317 3.639 1.00 0.00 C ATOM 1431 CD GLN A 97 -5.100 8.392 2.544 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -4.937 7.886 1.447 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -6.198 9.054 2.902 1.00 0.00 N ATOM 0 H GLN A 97 -1.375 11.297 2.188 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.154 10.729 3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.428 8.769 2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.988 8.917 3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.767 7.276 3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.438 8.710 4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.270 9.454 3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.967 9.161 2.241 1.00 0.00 H new ATOM 1442 N SER A 98 -3.724 11.581 5.299 1.00 0.00 N ATOM 1443 CA SER A 98 -3.513 12.231 6.582 1.00 0.00 C ATOM 1444 C SER A 98 -3.630 11.207 7.712 1.00 0.00 C ATOM 1445 O SER A 98 -4.469 10.308 7.657 1.00 0.00 O ATOM 1446 CB SER A 98 -4.512 13.371 6.793 1.00 0.00 C ATOM 1447 OG SER A 98 -4.086 14.272 7.810 1.00 0.00 O ATOM 0 H SER A 98 -4.699 11.379 5.078 1.00 0.00 H new ATOM 0 HA SER A 98 -2.510 12.657 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.643 13.916 5.858 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.484 12.956 7.060 1.00 0.00 H new ATOM 0 HG SER A 98 -4.749 14.986 7.913 1.00 0.00 H new ATOM 1453 N GLY A 99 -2.778 11.377 8.713 1.00 0.00 N ATOM 1454 CA GLY A 99 -2.775 10.479 9.854 1.00 0.00 C ATOM 1455 C GLY A 99 -2.375 9.063 9.437 1.00 0.00 C ATOM 1456 O GLY A 99 -2.266 8.770 8.248 1.00 0.00 O ATOM 0 H GLY A 99 -2.085 12.124 8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.082 10.848 10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.765 10.462 10.310 1.00 0.00 H new ATOM 1460 N GLU A 100 -2.168 8.220 10.439 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.783 6.842 10.191 1.00 0.00 C ATOM 1462 C GLU A 100 -2.567 6.277 9.005 1.00 0.00 C ATOM 1463 O GLU A 100 -3.614 6.809 8.638 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.985 5.983 11.441 1.00 0.00 C ATOM 1465 CG GLU A 100 -3.474 5.802 11.747 1.00 0.00 C ATOM 1466 CD GLU A 100 -4.172 7.156 11.891 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -4.070 7.732 12.996 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -4.792 7.585 10.894 1.00 0.00 O ATOM 0 H GLU A 100 -2.260 8.466 11.425 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.722 6.821 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.519 5.008 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.489 6.450 12.292 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.946 5.228 10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.593 5.228 12.666 1.00 0.00 H new ATOM 1475 N ALA A 101 -2.029 5.208 8.436 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.665 4.565 7.299 1.00 0.00 C ATOM 1477 C ALA A 101 -2.572 3.046 7.458 1.00 0.00 C ATOM 1478 O ALA A 101 -1.638 2.539 8.077 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.013 5.056 6.005 1.00 0.00 C ATOM 0 H ALA A 101 -1.159 4.771 8.741 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.722 4.827 7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.490 4.574 5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.132 6.136 5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.952 4.808 6.015 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.554 2.362 6.889 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.594 0.911 6.961 1.00 0.00 C ATOM 1487 C GLU A 102 -3.241 0.303 5.602 1.00 0.00 C ATOM 1488 O GLU A 102 -3.716 0.768 4.568 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.962 0.423 7.441 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.850 -0.272 8.800 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.173 -0.197 9.565 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -7.199 -0.588 8.967 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.129 0.252 10.731 1.00 0.00 O ATOM 0 H GLU A 102 -4.328 2.785 6.376 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.852 0.582 7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.648 1.267 7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.383 -0.266 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.567 -1.315 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.059 0.195 9.387 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.411 -0.729 5.650 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.989 -1.406 4.434 1.00 0.00 C ATOM 1502 C ILE A 103 -2.214 -2.911 4.590 1.00 0.00 C ATOM 1503 O ILE A 103 -1.952 -3.475 5.651 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.547 -1.032 4.087 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.074 -2.064 3.142 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.291 -0.837 5.352 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.501 -1.667 2.758 1.00 0.00 C ATOM 0 H ILE A 103 -2.020 -1.113 6.510 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.591 -1.080 3.586 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.560 -0.078 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.082 -3.043 3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.537 -2.154 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.311 -0.572 5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.141 -0.038 5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.300 -1.762 5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.919 -2.417 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.487 -0.699 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.115 -1.602 3.656 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.698 -3.519 3.517 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.961 -4.948 3.521 1.00 0.00 C ATOM 1521 C CYS A 104 -2.080 -5.602 2.456 1.00 0.00 C ATOM 1522 O CYS A 104 -2.306 -5.421 1.260 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.444 -5.251 3.298 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.473 -4.053 4.225 1.00 0.00 S ATOM 0 H CYS A 104 -2.915 -3.048 2.639 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.715 -5.362 4.499 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.679 -5.199 2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.670 -6.266 3.625 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.731 -4.317 4.028 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.091 -6.347 2.928 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.174 -7.030 2.031 1.00 0.00 C ATOM 1532 C VAL A 105 -0.279 -8.541 2.252 1.00 0.00 C ATOM 1533 O VAL A 105 -0.797 -8.987 3.274 1.00 0.00 O ATOM 1534 CB VAL A 105 1.245 -6.495 2.228 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.366 -5.060 1.710 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.668 -6.586 3.695 1.00 0.00 C ATOM 0 H VAL A 105 -0.905 -6.493 3.920 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.440 -6.835 0.992 1.00 0.00 H new ATOM 0 HB VAL A 105 1.922 -7.120 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.385 -4.703 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.128 -5.036 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.672 -4.418 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.681 -6.199 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.985 -5.997 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.640 -7.627 4.018 1.00 0.00 H new ATOM 1546 N ARG A 106 0.221 -9.286 1.277 1.00 0.00 N ATOM 1547 CA ARG A 106 0.190 -10.737 1.353 1.00 0.00 C ATOM 1548 C ARG A 106 1.460 -11.260 2.026 1.00 0.00 C ATOM 1549 O ARG A 106 2.548 -10.727 1.807 1.00 0.00 O ATOM 1550 CB ARG A 106 0.065 -11.357 -0.039 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.374 -12.820 0.050 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.759 -13.363 -1.328 1.00 0.00 C ATOM 1553 NE ARG A 106 -0.558 -14.828 -1.369 1.00 0.00 N ATOM 1554 CZ ARG A 106 -1.167 -15.646 -2.238 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -2.017 -15.146 -3.146 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -0.925 -16.963 -2.202 1.00 0.00 N ATOM 0 H ARG A 106 0.650 -8.912 0.430 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.681 -11.021 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.657 -10.792 -0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 106 1.022 -11.291 -0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.433 -13.421 0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.222 -12.908 0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.800 -13.124 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.156 -12.883 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 106 0.085 -15.241 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.200 -14.143 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.481 -15.769 -3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.277 -17.344 -1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.389 -17.585 -2.864 1.00 0.00 H new ATOM 1570 N LEU A 107 1.280 -12.297 2.831 1.00 0.00 N ATOM 1571 CA LEU A 107 2.398 -12.899 3.536 1.00 0.00 C ATOM 1572 C LEU A 107 3.281 -13.652 2.539 1.00 0.00 C ATOM 1573 O LEU A 107 4.452 -13.317 2.364 1.00 0.00 O ATOM 1574 CB LEU A 107 1.898 -13.769 4.691 1.00 0.00 C ATOM 1575 CG LEU A 107 1.624 -13.040 6.010 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.062 -14.000 7.059 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.877 -12.316 6.506 1.00 0.00 C ATOM 0 H LEU A 107 0.377 -12.735 3.010 1.00 0.00 H new ATOM 0 HA LEU A 107 3.018 -12.127 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.980 -14.265 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.635 -14.550 4.877 1.00 0.00 H new ATOM 0 HG LEU A 107 0.864 -12.280 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.876 -13.458 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.128 -14.429 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.781 -14.798 7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.656 -11.806 7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.676 -13.040 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.193 -11.585 5.762 1.00 0.00 H new ATOM 1589 N ASP A 108 2.686 -14.654 1.909 1.00 0.00 N ATOM 1590 CA ASP A 108 3.403 -15.456 0.933 1.00 0.00 C ATOM 1591 C ASP A 108 3.168 -14.882 -0.465 1.00 0.00 C ATOM 1592 O ASP A 108 2.234 -15.285 -1.157 1.00 0.00 O ATOM 1593 CB ASP A 108 2.907 -16.904 0.940 1.00 0.00 C ATOM 1594 CG ASP A 108 3.913 -17.935 0.425 1.00 0.00 C ATOM 1595 OD1 ASP A 108 4.812 -18.294 1.213 1.00 0.00 O ATOM 1596 OD2 ASP A 108 3.760 -18.340 -0.749 1.00 0.00 O ATOM 0 H ASP A 108 1.715 -14.929 2.056 1.00 0.00 H new ATOM 0 HA ASP A 108 4.462 -15.436 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.626 -17.171 1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.004 -16.966 0.333 1.00 0.00 H new ATOM 1601 N LEU A 109 4.030 -13.949 -0.839 1.00 0.00 N ATOM 1602 CA LEU A 109 3.928 -13.315 -2.142 1.00 0.00 C ATOM 1603 C LEU A 109 5.091 -12.338 -2.322 1.00 0.00 C ATOM 1604 O LEU A 109 5.291 -11.447 -1.498 1.00 0.00 O ATOM 1605 CB LEU A 109 2.551 -12.671 -2.318 1.00 0.00 C ATOM 1606 CG LEU A 109 1.937 -12.773 -3.717 1.00 0.00 C ATOM 1607 CD1 LEU A 109 2.941 -12.347 -4.789 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.387 -14.178 -3.972 1.00 0.00 C ATOM 0 H LEU A 109 4.803 -13.616 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 109 4.011 -14.059 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.864 -13.129 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.628 -11.617 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 109 1.096 -12.082 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.479 -12.429 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.243 -11.314 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.817 -12.994 -4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.956 -14.224 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.195 -14.905 -3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.617 -14.407 -3.235 1.00 0.00 H new ATOM 1620 N ASN A 110 5.828 -12.536 -3.404 1.00 0.00 N ATOM 1621 CA ASN A 110 6.966 -11.684 -3.703 1.00 0.00 C ATOM 1622 C ASN A 110 6.911 -11.263 -5.173 1.00 0.00 C ATOM 1623 O ASN A 110 6.549 -12.059 -6.037 1.00 0.00 O ATOM 1624 CB ASN A 110 8.284 -12.424 -3.472 1.00 0.00 C ATOM 1625 CG ASN A 110 8.455 -12.795 -1.997 1.00 0.00 C ATOM 1626 OD1 ASN A 110 8.339 -13.942 -1.602 1.00 0.00 O ATOM 1627 ND2 ASN A 110 8.735 -11.761 -1.209 1.00 0.00 N ATOM 0 H ASN A 110 5.659 -13.276 -4.086 1.00 0.00 H new ATOM 0 HA ASN A 110 6.919 -10.817 -3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.310 -13.326 -4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 110 9.117 -11.798 -3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.867 -11.904 -0.208 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.818 -10.825 -1.606 1.00 0.00 H new ATOM 1634 N MET A 111 7.276 -10.011 -5.411 1.00 0.00 N ATOM 1635 CA MET A 111 7.274 -9.475 -6.761 1.00 0.00 C ATOM 1636 C MET A 111 8.699 -9.329 -7.296 1.00 0.00 C ATOM 1637 O MET A 111 9.077 -9.998 -8.257 1.00 0.00 O ATOM 1638 CB MET A 111 6.583 -8.110 -6.767 1.00 0.00 C ATOM 1639 CG MET A 111 5.066 -8.263 -6.893 1.00 0.00 C ATOM 1640 SD MET A 111 4.504 -7.530 -8.421 1.00 0.00 S ATOM 1641 CE MET A 111 2.837 -7.088 -7.957 1.00 0.00 C ATOM 0 H MET A 111 7.575 -9.353 -4.691 1.00 0.00 H new ATOM 0 HA MET A 111 6.734 -10.168 -7.406 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.823 -7.573 -5.849 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.962 -7.511 -7.595 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.795 -9.318 -6.865 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.572 -7.785 -6.047 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.133 -7.545 -8.652 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.634 -7.445 -6.947 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.726 -6.004 -7.988 1.00 0.00 H new