USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 568 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 85 HIS : no HD1:sc= -0.16 X(o=-0.15,f=-0.2) USER MOD Set 1.2: A 87 TYR OH : rot 7:sc= 0.00737 USER MOD Set 2.1: A 64 HIS : no HE2:sc= -3.76! C(o=-3.8!,f=-7.8!) USER MOD Set 2.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0637 K(o=-0.064,f=-1.3!) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= -0.065 (180deg=-0.0809) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0634 K(o=-0.063,f=0.63) USER MOD Single : A 66 MET CE :methyl 167:sc= 0 (180deg=-0.266) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 99:sc= 0.135 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 30:sc= 0.235 USER MOD Single : A 88 THR OG1 : rot 135:sc= 0.258 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -11.571 12.479 -9.921 1.00 0.00 N ATOM 84 CA MET A 9 -11.717 11.140 -9.364 1.00 0.00 C ATOM 85 C MET A 9 -10.359 10.556 -8.988 1.00 0.00 C ATOM 86 O MET A 9 -9.706 9.905 -9.804 1.00 0.00 O ATOM 87 CB MET A 9 -12.421 10.222 -10.365 1.00 0.00 C ATOM 88 CG MET A 9 -13.801 10.710 -10.772 1.00 0.00 C ATOM 89 SD MET A 9 -14.796 9.420 -11.544 1.00 0.00 S ATOM 90 CE MET A 9 -14.701 9.904 -13.266 1.00 0.00 C ATOM 0 HA MET A 9 -12.323 11.213 -8.461 1.00 0.00 H new ATOM 0 HB2 MET A 9 -11.801 10.127 -11.256 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.510 9.226 -9.931 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.322 11.088 -9.892 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.697 11.546 -11.464 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.270 9.200 -13.874 1.00 0.00 H new ATOM 0 HE2 MET A 9 -15.116 10.905 -13.386 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.660 9.902 -13.588 1.00 0.00 H new ATOM 100 N ILE A 10 -9.940 10.793 -7.750 1.00 0.00 N ATOM 101 CA ILE A 10 -8.660 10.290 -7.267 1.00 0.00 C ATOM 102 C ILE A 10 -8.839 8.993 -6.485 1.00 0.00 C ATOM 103 O ILE A 10 -8.181 7.991 -6.766 1.00 0.00 O ATOM 104 CB ILE A 10 -7.951 11.322 -6.371 1.00 0.00 C ATOM 105 CG1 ILE A 10 -7.654 12.597 -7.163 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.669 10.736 -5.800 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.732 12.376 -8.342 1.00 0.00 C ATOM 0 H ILE A 10 -10.468 11.330 -7.063 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.044 10.100 -8.146 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.611 11.577 -5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.593 13.020 -7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.207 13.334 -6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.179 11.478 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.905 9.853 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.002 10.456 -6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.566 13.323 -8.856 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.779 11.982 -7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.186 11.664 -9.031 1.00 0.00 H new ATOM 119 N ARG A 11 -9.736 9.018 -5.504 1.00 0.00 N ATOM 120 CA ARG A 11 -10.002 7.844 -4.682 1.00 0.00 C ATOM 121 C ARG A 11 -10.432 6.662 -5.545 1.00 0.00 C ATOM 122 O ARG A 11 -10.330 5.509 -5.129 1.00 0.00 O ATOM 123 CB ARG A 11 -11.086 8.155 -3.648 1.00 0.00 C ATOM 124 CG ARG A 11 -11.034 7.257 -2.423 1.00 0.00 C ATOM 125 CD ARG A 11 -12.318 7.345 -1.613 1.00 0.00 C ATOM 126 NE ARG A 11 -13.483 6.924 -2.386 1.00 0.00 N ATOM 127 CZ ARG A 11 -14.212 7.752 -3.127 1.00 0.00 C ATOM 128 NH1 ARG A 11 -13.897 9.038 -3.194 1.00 0.00 N ATOM 129 NH2 ARG A 11 -15.258 7.293 -3.802 1.00 0.00 N ATOM 0 H ARG A 11 -10.290 9.839 -5.260 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.081 7.577 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.987 9.193 -3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.064 8.057 -4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.868 6.225 -2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.188 7.541 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.229 6.722 -0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.461 8.370 -1.271 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.752 5.941 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.094 9.394 -2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.458 9.672 -3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.503 6.304 -3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.817 7.929 -4.371 1.00 0.00 H new ATOM 143 N GLU A 12 -10.913 6.958 -6.749 1.00 0.00 N ATOM 144 CA GLU A 12 -11.360 5.919 -7.669 1.00 0.00 C ATOM 145 C GLU A 12 -10.201 5.417 -8.526 1.00 0.00 C ATOM 146 O GLU A 12 -10.017 4.211 -8.693 1.00 0.00 O ATOM 147 CB GLU A 12 -12.480 6.449 -8.567 1.00 0.00 C ATOM 148 CG GLU A 12 -13.750 6.803 -7.811 1.00 0.00 C ATOM 149 CD GLU A 12 -14.879 7.222 -8.732 1.00 0.00 C ATOM 150 OE1 GLU A 12 -15.539 6.330 -9.305 1.00 0.00 O ATOM 151 OE2 GLU A 12 -15.102 8.442 -8.881 1.00 0.00 O ATOM 0 H GLU A 12 -11.003 7.908 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.741 5.086 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.123 7.333 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.714 5.699 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.068 5.944 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.538 7.611 -7.111 1.00 0.00 H new ATOM 158 N ARG A 13 -9.424 6.350 -9.066 1.00 0.00 N ATOM 159 CA ARG A 13 -8.285 6.003 -9.906 1.00 0.00 C ATOM 160 C ARG A 13 -7.254 5.197 -9.120 1.00 0.00 C ATOM 161 O ARG A 13 -6.627 4.283 -9.656 1.00 0.00 O ATOM 162 CB ARG A 13 -7.636 7.268 -10.471 1.00 0.00 C ATOM 163 CG ARG A 13 -6.655 7.928 -9.515 1.00 0.00 C ATOM 164 CD ARG A 13 -5.855 9.022 -10.205 1.00 0.00 C ATOM 165 NE ARG A 13 -4.650 8.499 -10.842 1.00 0.00 N ATOM 166 CZ ARG A 13 -4.610 8.068 -12.098 1.00 0.00 C ATOM 167 NH1 ARG A 13 -5.704 8.098 -12.847 1.00 0.00 N ATOM 168 NH2 ARG A 13 -3.475 7.607 -12.607 1.00 0.00 N ATOM 0 H ARG A 13 -9.563 7.352 -8.937 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.648 5.390 -10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.116 7.018 -11.396 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.417 7.983 -10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.198 8.351 -8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.975 7.177 -9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.479 9.510 -10.954 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.578 9.784 -9.476 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.791 8.462 -10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.578 8.452 -12.459 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.671 7.767 -13.811 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.632 7.583 -12.034 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.446 7.276 -13.571 1.00 0.00 H new ATOM 182 N ILE A 14 -7.086 5.543 -7.848 1.00 0.00 N ATOM 183 CA ILE A 14 -6.133 4.851 -6.989 1.00 0.00 C ATOM 184 C ILE A 14 -6.476 3.370 -6.868 1.00 0.00 C ATOM 185 O ILE A 14 -5.745 2.512 -7.361 1.00 0.00 O ATOM 186 CB ILE A 14 -6.090 5.474 -5.581 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.484 6.878 -5.639 1.00 0.00 C ATOM 188 CG2 ILE A 14 -5.296 4.587 -4.634 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.610 7.644 -4.341 1.00 0.00 C ATOM 0 H ILE A 14 -7.597 6.298 -7.390 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.153 4.957 -7.455 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.109 5.554 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.430 6.799 -5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.971 7.443 -6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.274 5.040 -3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.767 3.606 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.277 4.478 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.159 8.630 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.664 7.754 -4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.098 7.101 -3.547 1.00 0.00 H new ATOM 201 N GLU A 15 -7.593 3.079 -6.209 1.00 0.00 N ATOM 202 CA GLU A 15 -8.034 1.702 -6.024 1.00 0.00 C ATOM 203 C GLU A 15 -8.142 0.980 -7.365 1.00 0.00 C ATOM 204 O GLU A 15 -7.533 -0.070 -7.567 1.00 0.00 O ATOM 205 CB GLU A 15 -9.383 1.666 -5.303 1.00 0.00 C ATOM 206 CG GLU A 15 -9.279 1.910 -3.807 1.00 0.00 C ATOM 207 CD GLU A 15 -10.605 2.310 -3.188 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.288 3.184 -3.761 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.959 1.748 -2.131 1.00 0.00 O ATOM 0 H GLU A 15 -8.209 3.778 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.291 1.189 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.040 2.418 -5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.851 0.696 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.913 1.006 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.544 2.693 -3.620 1.00 0.00 H new ATOM 216 N GLU A 16 -8.922 1.553 -8.277 1.00 0.00 N ATOM 217 CA GLU A 16 -9.111 0.964 -9.597 1.00 0.00 C ATOM 218 C GLU A 16 -7.817 0.332 -10.102 1.00 0.00 C ATOM 219 O GLU A 16 -7.840 -0.629 -10.871 1.00 0.00 O ATOM 220 CB GLU A 16 -9.594 2.025 -10.589 1.00 0.00 C ATOM 221 CG GLU A 16 -11.104 2.197 -10.608 1.00 0.00 C ATOM 222 CD GLU A 16 -11.618 2.682 -11.950 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.902 3.459 -12.615 1.00 0.00 O ATOM 224 OE2 GLU A 16 -12.737 2.283 -12.335 1.00 0.00 O ATOM 0 H GLU A 16 -9.432 2.423 -8.126 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.867 0.184 -9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.131 2.980 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.255 1.756 -11.589 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.578 1.246 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.395 2.906 -9.833 1.00 0.00 H new ATOM 231 N LYS A 17 -6.689 0.879 -9.664 1.00 0.00 N ATOM 232 CA LYS A 17 -5.383 0.371 -10.069 1.00 0.00 C ATOM 233 C LYS A 17 -4.939 -0.772 -9.162 1.00 0.00 C ATOM 234 O LYS A 17 -4.566 -1.846 -9.636 1.00 0.00 O ATOM 235 CB LYS A 17 -4.344 1.493 -10.038 1.00 0.00 C ATOM 236 CG LYS A 17 -4.212 2.237 -11.356 1.00 0.00 C ATOM 237 CD LYS A 17 -3.122 1.637 -12.228 1.00 0.00 C ATOM 238 CE LYS A 17 -3.674 0.560 -13.149 1.00 0.00 C ATOM 239 NZ LYS A 17 -2.604 -0.069 -13.971 1.00 0.00 N ATOM 0 H LYS A 17 -6.652 1.675 -9.028 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.469 -0.008 -11.087 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.611 2.203 -9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.375 1.072 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.163 2.207 -11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.988 3.286 -11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.657 2.423 -12.823 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.342 1.212 -11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.172 -0.206 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.428 0.995 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.021 -0.797 -14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.145 0.657 -14.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.898 -0.506 -13.345 1.00 0.00 H new ATOM 253 N LEU A 18 -4.984 -0.536 -7.855 1.00 0.00 N ATOM 254 CA LEU A 18 -4.588 -1.547 -6.881 1.00 0.00 C ATOM 255 C LEU A 18 -5.411 -2.820 -7.052 1.00 0.00 C ATOM 256 O LEU A 18 -4.975 -3.908 -6.674 1.00 0.00 O ATOM 257 CB LEU A 18 -4.753 -1.007 -5.460 1.00 0.00 C ATOM 258 CG LEU A 18 -4.153 0.374 -5.193 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.734 0.972 -3.920 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.636 0.287 -5.099 1.00 0.00 C ATOM 0 H LEU A 18 -5.291 0.346 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.539 -1.789 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.817 -0.970 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.301 -1.717 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.409 1.028 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.295 1.955 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.815 1.070 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.509 0.320 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.226 1.279 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.360 -0.382 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.235 -0.098 -6.037 1.00 0.00 H new ATOM 272 N ARG A 19 -6.600 -2.677 -7.626 1.00 0.00 N ATOM 273 CA ARG A 19 -7.484 -3.816 -7.849 1.00 0.00 C ATOM 274 C ARG A 19 -6.807 -4.865 -8.726 1.00 0.00 C ATOM 275 O ARG A 19 -6.758 -6.044 -8.374 1.00 0.00 O ATOM 276 CB ARG A 19 -8.789 -3.356 -8.501 1.00 0.00 C ATOM 277 CG ARG A 19 -9.723 -2.630 -7.547 1.00 0.00 C ATOM 278 CD ARG A 19 -10.448 -3.602 -6.629 1.00 0.00 C ATOM 279 NE ARG A 19 -11.493 -4.342 -7.332 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.329 -5.182 -6.731 1.00 0.00 C ATOM 281 NH1 ARG A 19 -12.243 -5.387 -5.424 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.254 -5.818 -7.439 1.00 0.00 N ATOM 0 H ARG A 19 -6.975 -1.784 -7.946 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.708 -4.265 -6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.555 -2.698 -9.338 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.305 -4.223 -8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.153 -1.919 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.452 -2.054 -8.117 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.730 -4.304 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.889 -3.054 -5.796 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.586 -4.207 -8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.534 -4.899 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.886 -6.032 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.323 -5.662 -8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.896 -6.463 -6.978 1.00 0.00 H new ATOM 296 N ALA A 20 -6.288 -4.429 -9.868 1.00 0.00 N ATOM 297 CA ALA A 20 -5.613 -5.330 -10.794 1.00 0.00 C ATOM 298 C ALA A 20 -4.122 -5.419 -10.486 1.00 0.00 C ATOM 299 O ALA A 20 -3.476 -6.423 -10.785 1.00 0.00 O ATOM 300 CB ALA A 20 -5.830 -4.872 -12.229 1.00 0.00 C ATOM 0 H ALA A 20 -6.322 -3.457 -10.175 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.043 -6.324 -10.672 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.320 -5.554 -12.910 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.897 -4.867 -12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.428 -3.867 -12.355 1.00 0.00 H new ATOM 306 N ALA A 21 -3.583 -4.363 -9.886 1.00 0.00 N ATOM 307 CA ALA A 21 -2.168 -4.323 -9.536 1.00 0.00 C ATOM 308 C ALA A 21 -1.772 -5.543 -8.712 1.00 0.00 C ATOM 309 O ALA A 21 -0.923 -6.334 -9.124 1.00 0.00 O ATOM 310 CB ALA A 21 -1.849 -3.044 -8.776 1.00 0.00 C ATOM 0 H ALA A 21 -4.104 -3.524 -9.632 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.590 -4.338 -10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.789 -3.027 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.086 -2.182 -9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.443 -3.006 -7.863 1.00 0.00 H new ATOM 316 N PHE A 22 -2.391 -5.690 -7.546 1.00 0.00 N ATOM 317 CA PHE A 22 -2.102 -6.814 -6.663 1.00 0.00 C ATOM 318 C PHE A 22 -3.306 -7.745 -6.555 1.00 0.00 C ATOM 319 O PHE A 22 -3.157 -8.966 -6.520 1.00 0.00 O ATOM 320 CB PHE A 22 -1.707 -6.310 -5.273 1.00 0.00 C ATOM 321 CG PHE A 22 -0.458 -5.475 -5.271 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.791 -6.072 -5.220 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.534 -4.092 -5.319 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.942 -5.307 -5.219 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.614 -3.322 -5.318 1.00 0.00 C ATOM 326 CZ PHE A 22 1.853 -3.930 -5.267 1.00 0.00 C ATOM 0 H PHE A 22 -3.096 -5.045 -7.190 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.269 -7.373 -7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.528 -5.723 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.564 -7.165 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.866 -7.149 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.500 -3.611 -5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.909 -5.785 -5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.542 -2.245 -5.357 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.751 -3.329 -5.265 1.00 0.00 H new ATOM 336 N GLN A 23 -4.497 -7.159 -6.502 1.00 0.00 N ATOM 337 CA GLN A 23 -5.726 -7.936 -6.396 1.00 0.00 C ATOM 338 C GLN A 23 -5.853 -8.569 -5.015 1.00 0.00 C ATOM 339 O GLN A 23 -6.084 -9.770 -4.875 1.00 0.00 O ATOM 340 CB GLN A 23 -5.763 -9.021 -7.474 1.00 0.00 C ATOM 341 CG GLN A 23 -5.048 -8.629 -8.757 1.00 0.00 C ATOM 342 CD GLN A 23 -5.427 -9.512 -9.929 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.547 -10.018 -10.004 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.492 -9.703 -10.853 1.00 0.00 N ATOM 0 H GLN A 23 -4.637 -6.149 -6.531 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.568 -7.259 -6.543 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.310 -9.930 -7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.802 -9.257 -7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.283 -7.592 -8.997 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.971 -8.683 -8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.577 -9.264 -10.751 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.689 -10.288 -11.665 1.00 0.00 H new ATOM 353 N PRO A 24 -5.700 -7.744 -3.968 1.00 0.00 N ATOM 354 CA PRO A 24 -5.793 -8.202 -2.579 1.00 0.00 C ATOM 355 C PRO A 24 -7.216 -8.588 -2.190 1.00 0.00 C ATOM 356 O PRO A 24 -8.084 -8.743 -3.049 1.00 0.00 O ATOM 357 CB PRO A 24 -5.330 -6.986 -1.773 1.00 0.00 C ATOM 358 CG PRO A 24 -5.618 -5.817 -2.651 1.00 0.00 C ATOM 359 CD PRO A 24 -5.423 -6.301 -4.061 1.00 0.00 C ATOM 0 HA PRO A 24 -5.198 -9.098 -2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.865 -6.911 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.268 -7.050 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.635 -5.456 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.949 -4.986 -2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.103 -5.805 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.410 -6.108 -4.416 1.00 0.00 H new ATOM 367 N VAL A 25 -7.449 -8.742 -0.891 1.00 0.00 N ATOM 368 CA VAL A 25 -8.767 -9.108 -0.388 1.00 0.00 C ATOM 369 C VAL A 25 -9.513 -7.888 0.139 1.00 0.00 C ATOM 370 O VAL A 25 -10.718 -7.745 -0.070 1.00 0.00 O ATOM 371 CB VAL A 25 -8.668 -10.160 0.733 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.002 -11.427 0.220 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.911 -9.596 1.926 1.00 0.00 C ATOM 0 H VAL A 25 -6.741 -8.619 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.319 -9.533 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.677 -10.415 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.941 -12.158 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.589 -11.840 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.998 -11.193 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.850 -10.352 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.905 -9.312 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.435 -8.720 2.308 1.00 0.00 H new ATOM 383 N PHE A 26 -8.789 -7.009 0.824 1.00 0.00 N ATOM 384 CA PHE A 26 -9.382 -5.799 1.382 1.00 0.00 C ATOM 385 C PHE A 26 -8.918 -4.563 0.617 1.00 0.00 C ATOM 386 O PHE A 26 -7.807 -4.527 0.087 1.00 0.00 O ATOM 387 CB PHE A 26 -9.019 -5.663 2.862 1.00 0.00 C ATOM 388 CG PHE A 26 -9.901 -4.706 3.611 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.110 -5.127 4.141 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.521 -3.385 3.784 1.00 0.00 C ATOM 391 CE1 PHE A 26 -11.924 -4.248 4.830 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.331 -2.502 4.474 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.534 -2.934 4.996 1.00 0.00 C ATOM 0 H PHE A 26 -7.791 -7.112 1.006 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.465 -5.878 1.287 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.078 -6.644 3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.984 -5.331 2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.420 -6.154 4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.582 -3.041 3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.864 -4.589 5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.023 -1.475 4.605 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.169 -2.245 5.533 1.00 0.00 H new ATOM 403 N LEU A 27 -9.778 -3.551 0.563 1.00 0.00 N ATOM 404 CA LEU A 27 -9.457 -2.312 -0.137 1.00 0.00 C ATOM 405 C LEU A 27 -10.366 -1.176 0.323 1.00 0.00 C ATOM 406 O LEU A 27 -11.586 -1.248 0.179 1.00 0.00 O ATOM 407 CB LEU A 27 -9.592 -2.508 -1.648 1.00 0.00 C ATOM 408 CG LEU A 27 -8.669 -1.655 -2.520 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.226 -2.111 -2.374 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.105 -1.717 -3.977 1.00 0.00 C ATOM 0 H LEU A 27 -10.702 -3.564 0.995 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.426 -2.046 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.407 -3.558 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.623 -2.297 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.737 -0.620 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.584 -1.493 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.918 -2.015 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.141 -3.153 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.437 -1.104 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.066 -2.749 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.124 -1.342 -4.068 1.00 0.00 H new ATOM 422 N GLU A 28 -9.762 -0.129 0.875 1.00 0.00 N ATOM 423 CA GLU A 28 -10.517 1.023 1.355 1.00 0.00 C ATOM 424 C GLU A 28 -9.618 2.249 1.480 1.00 0.00 C ATOM 425 O GLU A 28 -8.573 2.203 2.130 1.00 0.00 O ATOM 426 CB GLU A 28 -11.163 0.710 2.706 1.00 0.00 C ATOM 427 CG GLU A 28 -12.071 1.816 3.217 1.00 0.00 C ATOM 428 CD GLU A 28 -12.870 1.398 4.436 1.00 0.00 C ATOM 429 OE1 GLU A 28 -13.857 0.652 4.272 1.00 0.00 O ATOM 430 OE2 GLU A 28 -12.507 1.819 5.555 1.00 0.00 O ATOM 0 H GLU A 28 -8.753 -0.054 1.001 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.300 1.241 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.740 -0.211 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.379 0.527 3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.469 2.690 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.756 2.115 2.423 1.00 0.00 H new ATOM 437 N VAL A 29 -10.031 3.346 0.853 1.00 0.00 N ATOM 438 CA VAL A 29 -9.265 4.585 0.894 1.00 0.00 C ATOM 439 C VAL A 29 -10.046 5.691 1.595 1.00 0.00 C ATOM 440 O VAL A 29 -11.244 5.860 1.368 1.00 0.00 O ATOM 441 CB VAL A 29 -8.886 5.058 -0.522 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.017 6.305 -0.454 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.179 3.947 -1.283 1.00 0.00 C ATOM 0 H VAL A 29 -10.893 3.401 0.310 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.354 4.375 1.455 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.801 5.310 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.759 6.624 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.563 7.102 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.105 6.083 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.918 4.299 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.272 3.662 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.839 3.084 -1.363 1.00 0.00 H new ATOM 453 N VAL A 30 -9.359 6.444 2.449 1.00 0.00 N ATOM 454 CA VAL A 30 -9.987 7.535 3.183 1.00 0.00 C ATOM 455 C VAL A 30 -9.498 8.889 2.680 1.00 0.00 C ATOM 456 O VAL A 30 -8.325 9.231 2.828 1.00 0.00 O ATOM 457 CB VAL A 30 -9.707 7.430 4.694 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.258 8.645 5.425 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.298 6.146 5.257 1.00 0.00 C ATOM 0 H VAL A 30 -8.367 6.318 2.649 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.061 7.453 3.013 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.628 7.403 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.051 8.553 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.784 9.548 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.335 8.706 5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.091 6.088 6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.376 6.140 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.851 5.289 4.754 1.00 0.00 H new ATOM 469 N ASP A 31 -10.405 9.655 2.085 1.00 0.00 N ATOM 470 CA ASP A 31 -10.067 10.974 1.561 1.00 0.00 C ATOM 471 C ASP A 31 -10.259 12.048 2.626 1.00 0.00 C ATOM 472 O ASP A 31 -11.080 11.898 3.531 1.00 0.00 O ATOM 473 CB ASP A 31 -10.925 11.294 0.336 1.00 0.00 C ATOM 474 CG ASP A 31 -12.353 10.807 0.485 1.00 0.00 C ATOM 475 OD1 ASP A 31 -12.556 9.577 0.548 1.00 0.00 O ATOM 476 OD2 ASP A 31 -13.267 11.656 0.539 1.00 0.00 O ATOM 0 H ASP A 31 -11.380 9.386 1.953 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.017 10.963 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.927 12.371 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.478 10.836 -0.546 1.00 0.00 H new ATOM 481 N GLU A 32 -9.496 13.130 2.513 1.00 0.00 N ATOM 482 CA GLU A 32 -9.581 14.228 3.468 1.00 0.00 C ATOM 483 C GLU A 32 -9.747 15.564 2.749 1.00 0.00 C ATOM 484 O GLU A 32 -8.785 16.313 2.578 1.00 0.00 O ATOM 485 CB GLU A 32 -8.332 14.264 4.352 1.00 0.00 C ATOM 486 CG GLU A 32 -8.084 12.969 5.108 1.00 0.00 C ATOM 487 CD GLU A 32 -8.774 12.942 6.458 1.00 0.00 C ATOM 488 OE1 GLU A 32 -8.490 13.829 7.289 1.00 0.00 O ATOM 489 OE2 GLU A 32 -9.600 12.031 6.683 1.00 0.00 O ATOM 0 H GLU A 32 -8.812 13.270 1.769 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.457 14.061 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.464 14.484 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.427 15.080 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.434 12.129 4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.012 12.834 5.249 1.00 0.00 H new ATOM 686 N PHE A 46 -3.960 11.800 3.772 1.00 0.00 N ATOM 687 CA PHE A 46 -4.412 10.704 2.923 1.00 0.00 C ATOM 688 C PHE A 46 -4.043 9.355 3.533 1.00 0.00 C ATOM 689 O PHE A 46 -2.977 9.201 4.131 1.00 0.00 O ATOM 690 CB PHE A 46 -3.804 10.828 1.525 1.00 0.00 C ATOM 691 CG PHE A 46 -4.648 10.211 0.447 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.938 10.660 0.217 1.00 0.00 C ATOM 693 CD2 PHE A 46 -4.150 9.183 -0.338 1.00 0.00 C ATOM 694 CE1 PHE A 46 -6.717 10.094 -0.774 1.00 0.00 C ATOM 695 CE2 PHE A 46 -4.925 8.613 -1.331 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.209 9.070 -1.550 1.00 0.00 C ATOM 0 HA PHE A 46 -5.498 10.763 2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.651 11.883 1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.822 10.355 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.340 11.462 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.145 8.823 -0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.722 10.452 -0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.526 7.811 -1.935 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.815 8.628 -2.327 1.00 0.00 H new ATOM 706 N LYS A 47 -4.931 8.379 3.379 1.00 0.00 N ATOM 707 CA LYS A 47 -4.701 7.042 3.913 1.00 0.00 C ATOM 708 C LYS A 47 -5.276 5.978 2.983 1.00 0.00 C ATOM 709 O LYS A 47 -6.295 6.197 2.329 1.00 0.00 O ATOM 710 CB LYS A 47 -5.326 6.911 5.304 1.00 0.00 C ATOM 711 CG LYS A 47 -5.122 5.545 5.936 1.00 0.00 C ATOM 712 CD LYS A 47 -6.278 5.177 6.851 1.00 0.00 C ATOM 713 CE LYS A 47 -7.522 4.808 6.058 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.500 4.045 6.882 1.00 0.00 N ATOM 0 H LYS A 47 -5.818 8.489 2.888 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.625 6.889 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.900 7.672 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.395 7.114 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.022 4.792 5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.192 5.541 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.988 4.340 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.502 6.015 7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.995 5.715 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.236 4.213 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.310 3.769 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.042 3.192 7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.831 4.640 7.668 1.00 0.00 H new ATOM 728 N VAL A 48 -4.616 4.825 2.931 1.00 0.00 N ATOM 729 CA VAL A 48 -5.064 3.726 2.084 1.00 0.00 C ATOM 730 C VAL A 48 -4.869 2.383 2.778 1.00 0.00 C ATOM 731 O VAL A 48 -3.750 2.012 3.134 1.00 0.00 O ATOM 732 CB VAL A 48 -4.312 3.712 0.740 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.580 2.415 -0.008 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.705 4.915 -0.104 1.00 0.00 C ATOM 0 H VAL A 48 -3.770 4.628 3.465 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.126 3.883 1.896 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.243 3.773 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.041 2.423 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.243 1.571 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.649 2.320 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.164 4.888 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.777 4.888 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.456 5.832 0.431 1.00 0.00 H new ATOM 744 N VAL A 49 -5.966 1.656 2.966 1.00 0.00 N ATOM 745 CA VAL A 49 -5.916 0.351 3.616 1.00 0.00 C ATOM 746 C VAL A 49 -5.966 -0.776 2.591 1.00 0.00 C ATOM 747 O VAL A 49 -6.960 -0.944 1.884 1.00 0.00 O ATOM 748 CB VAL A 49 -7.077 0.176 4.612 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.039 -1.209 5.239 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.029 1.256 5.682 1.00 0.00 C ATOM 0 H VAL A 49 -6.900 1.948 2.678 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.971 0.303 4.158 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.016 0.277 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.867 -1.314 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.127 -1.964 4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.096 -1.343 5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.857 1.117 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.085 1.190 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.110 2.237 5.213 1.00 0.00 H new ATOM 760 N LEU A 50 -4.886 -1.547 2.515 1.00 0.00 N ATOM 761 CA LEU A 50 -4.806 -2.660 1.576 1.00 0.00 C ATOM 762 C LEU A 50 -4.263 -3.911 2.259 1.00 0.00 C ATOM 763 O LEU A 50 -3.087 -3.974 2.617 1.00 0.00 O ATOM 764 CB LEU A 50 -3.918 -2.288 0.387 1.00 0.00 C ATOM 765 CG LEU A 50 -3.709 -3.380 -0.663 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.389 -2.764 -2.016 1.00 0.00 C ATOM 767 CD2 LEU A 50 -2.601 -4.330 -0.231 1.00 0.00 C ATOM 0 H LEU A 50 -4.054 -1.421 3.092 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.813 -2.873 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.350 -1.417 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.942 -1.987 0.768 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.633 -3.951 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.243 -3.556 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.215 -2.125 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.479 -2.169 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.466 -5.101 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.672 -3.774 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.871 -4.797 0.716 1.00 0.00 H new ATOM 779 N VAL A 51 -5.127 -4.906 2.435 1.00 0.00 N ATOM 780 CA VAL A 51 -4.733 -6.157 3.072 1.00 0.00 C ATOM 781 C VAL A 51 -4.296 -7.187 2.037 1.00 0.00 C ATOM 782 O VAL A 51 -5.118 -7.721 1.293 1.00 0.00 O ATOM 783 CB VAL A 51 -5.882 -6.745 3.913 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.463 -8.066 4.540 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.322 -5.754 4.980 1.00 0.00 C ATOM 0 H VAL A 51 -6.104 -4.870 2.145 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.893 -5.927 3.728 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.730 -6.936 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.287 -8.466 5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.201 -8.775 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.599 -7.905 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.134 -6.186 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.482 -5.530 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.666 -4.836 4.504 1.00 0.00 H new ATOM 795 N SER A 52 -2.996 -7.462 1.996 1.00 0.00 N ATOM 796 CA SER A 52 -2.449 -8.427 1.049 1.00 0.00 C ATOM 797 C SER A 52 -1.659 -9.512 1.775 1.00 0.00 C ATOM 798 O SER A 52 -1.117 -9.282 2.856 1.00 0.00 O ATOM 799 CB SER A 52 -1.551 -7.721 0.031 1.00 0.00 C ATOM 800 OG SER A 52 -1.085 -8.628 -0.953 1.00 0.00 O ATOM 0 H SER A 52 -2.302 -7.031 2.607 1.00 0.00 H new ATOM 0 HA SER A 52 -3.281 -8.897 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.104 -6.913 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.702 -7.267 0.543 1.00 0.00 H new ATOM 0 HG SER A 52 -0.515 -8.152 -1.593 1.00 0.00 H new ATOM 806 N ASP A 53 -1.598 -10.694 1.172 1.00 0.00 N ATOM 807 CA ASP A 53 -0.874 -11.815 1.759 1.00 0.00 C ATOM 808 C ASP A 53 0.614 -11.729 1.437 1.00 0.00 C ATOM 809 O ASP A 53 1.460 -12.052 2.271 1.00 0.00 O ATOM 810 CB ASP A 53 -1.443 -13.140 1.249 1.00 0.00 C ATOM 811 CG ASP A 53 -1.144 -14.297 2.183 1.00 0.00 C ATOM 812 OD1 ASP A 53 0.047 -14.633 2.348 1.00 0.00 O ATOM 813 OD2 ASP A 53 -2.101 -14.866 2.748 1.00 0.00 O ATOM 0 H ASP A 53 -2.041 -10.901 0.277 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.996 -11.768 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.522 -13.045 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.028 -13.355 0.264 1.00 0.00 H new ATOM 818 N ARG A 54 0.927 -11.292 0.221 1.00 0.00 N ATOM 819 CA ARG A 54 2.314 -11.166 -0.212 1.00 0.00 C ATOM 820 C ARG A 54 3.191 -10.639 0.920 1.00 0.00 C ATOM 821 O ARG A 54 4.387 -10.924 0.977 1.00 0.00 O ATOM 822 CB ARG A 54 2.410 -10.234 -1.421 1.00 0.00 C ATOM 823 CG ARG A 54 1.903 -10.857 -2.712 1.00 0.00 C ATOM 824 CD ARG A 54 3.013 -11.585 -3.452 1.00 0.00 C ATOM 825 NE ARG A 54 3.717 -10.708 -4.383 1.00 0.00 N ATOM 826 CZ ARG A 54 3.238 -10.361 -5.572 1.00 0.00 C ATOM 827 NH1 ARG A 54 2.058 -10.815 -5.973 1.00 0.00 N ATOM 828 NH2 ARG A 54 3.938 -9.557 -6.363 1.00 0.00 N ATOM 0 H ARG A 54 0.239 -11.019 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 54 2.671 -12.156 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.840 -9.328 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.449 -9.934 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.095 -11.554 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.486 -10.080 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.722 -11.993 -2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.592 -12.429 -3.998 1.00 0.00 H new ATOM 0 HE ARG A 54 4.627 -10.341 -4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.516 -11.432 -5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.692 -10.547 -6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.845 -9.205 -6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.569 -9.292 -7.276 1.00 0.00 H new ATOM 842 N PHE A 55 2.588 -9.868 1.820 1.00 0.00 N ATOM 843 CA PHE A 55 3.314 -9.300 2.949 1.00 0.00 C ATOM 844 C PHE A 55 3.265 -10.236 4.153 1.00 0.00 C ATOM 845 O PHE A 55 3.155 -9.791 5.297 1.00 0.00 O ATOM 846 CB PHE A 55 2.730 -7.937 3.325 1.00 0.00 C ATOM 847 CG PHE A 55 2.391 -7.082 2.137 1.00 0.00 C ATOM 848 CD1 PHE A 55 3.272 -6.970 1.074 1.00 0.00 C ATOM 849 CD2 PHE A 55 1.192 -6.390 2.085 1.00 0.00 C ATOM 850 CE1 PHE A 55 2.963 -6.184 -0.021 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.877 -5.603 0.993 1.00 0.00 C ATOM 852 CZ PHE A 55 1.764 -5.499 -0.061 1.00 0.00 C ATOM 0 H PHE A 55 1.598 -9.623 1.789 1.00 0.00 H new ATOM 0 HA PHE A 55 4.355 -9.172 2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.831 -8.088 3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.444 -7.405 3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.211 -7.503 1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.495 -6.466 2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.658 -6.106 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.062 -5.070 0.964 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.521 -4.884 -0.914 1.00 0.00 H new ATOM 961 N ASN A 62 9.757 -2.890 1.999 1.00 0.00 N ATOM 962 CA ASN A 62 9.495 -3.827 0.912 1.00 0.00 C ATOM 963 C ASN A 62 8.016 -3.827 0.538 1.00 0.00 C ATOM 964 O ASN A 62 7.662 -3.958 -0.634 1.00 0.00 O ATOM 965 CB ASN A 62 9.931 -5.238 1.312 1.00 0.00 C ATOM 966 CG ASN A 62 11.440 -5.381 1.376 1.00 0.00 C ATOM 967 OD1 ASN A 62 12.156 -4.410 1.620 1.00 0.00 O ATOM 968 ND2 ASN A 62 11.929 -6.596 1.156 1.00 0.00 N ATOM 0 HA ASN A 62 10.071 -3.508 0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.504 -5.485 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.531 -5.956 0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.936 -6.753 1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.297 -7.372 0.957 1.00 0.00 H new ATOM 975 N ARG A 63 7.157 -3.678 1.542 1.00 0.00 N ATOM 976 CA ARG A 63 5.717 -3.661 1.318 1.00 0.00 C ATOM 977 C ARG A 63 5.282 -2.349 0.672 1.00 0.00 C ATOM 978 O ARG A 63 4.434 -2.335 -0.221 1.00 0.00 O ATOM 979 CB ARG A 63 4.972 -3.862 2.639 1.00 0.00 C ATOM 980 CG ARG A 63 5.284 -5.186 3.319 1.00 0.00 C ATOM 981 CD ARG A 63 5.154 -5.080 4.830 1.00 0.00 C ATOM 982 NE ARG A 63 3.781 -5.300 5.278 1.00 0.00 N ATOM 983 CZ ARG A 63 3.452 -5.552 6.540 1.00 0.00 C ATOM 984 NH1 ARG A 63 4.391 -5.615 7.474 1.00 0.00 N ATOM 985 NH2 ARG A 63 2.180 -5.740 6.870 1.00 0.00 N ATOM 0 H ARG A 63 7.434 -3.567 2.517 1.00 0.00 H new ATOM 0 HA ARG A 63 5.471 -4.479 0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.225 -3.047 3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.899 -3.802 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.607 -5.955 2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.296 -5.499 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.811 -5.810 5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.488 -4.094 5.154 1.00 0.00 H new ATOM 0 HE ARG A 63 3.035 -5.258 4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.369 -5.470 7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.135 -5.809 8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.455 -5.691 6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.928 -5.934 7.839 1.00 0.00 H new ATOM 999 N HIS A 64 5.868 -1.247 1.130 1.00 0.00 N ATOM 1000 CA HIS A 64 5.542 0.071 0.596 1.00 0.00 C ATOM 1001 C HIS A 64 6.026 0.209 -0.844 1.00 0.00 C ATOM 1002 O HIS A 64 5.237 0.464 -1.753 1.00 0.00 O ATOM 1003 CB HIS A 64 6.165 1.164 1.464 1.00 0.00 C ATOM 1004 CG HIS A 64 5.276 1.624 2.578 1.00 0.00 C ATOM 1005 ND1 HIS A 64 4.613 2.833 2.562 1.00 0.00 N ATOM 1006 CD2 HIS A 64 4.941 1.029 3.747 1.00 0.00 C ATOM 1007 CE1 HIS A 64 3.910 2.962 3.673 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.091 1.881 4.409 1.00 0.00 N ATOM 0 H HIS A 64 6.571 -1.240 1.869 1.00 0.00 H new ATOM 0 HA HIS A 64 4.458 0.183 0.608 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.099 0.793 1.885 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.416 2.018 0.834 1.00 0.00 H new ATOM 0 HD1 HIS A 64 4.658 3.520 1.810 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.279 0.064 4.094 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.292 3.808 3.935 1.00 0.00 H new ATOM 1017 N ARG A 65 7.330 0.040 -1.043 1.00 0.00 N ATOM 1018 CA ARG A 65 7.920 0.149 -2.372 1.00 0.00 C ATOM 1019 C ARG A 65 7.001 -0.463 -3.426 1.00 0.00 C ATOM 1020 O ARG A 65 6.850 0.078 -4.521 1.00 0.00 O ATOM 1021 CB ARG A 65 9.284 -0.543 -2.405 1.00 0.00 C ATOM 1022 CG ARG A 65 9.214 -2.040 -2.156 1.00 0.00 C ATOM 1023 CD ARG A 65 10.542 -2.718 -2.456 1.00 0.00 C ATOM 1024 NE ARG A 65 10.712 -2.981 -3.883 1.00 0.00 N ATOM 1025 CZ ARG A 65 11.769 -3.600 -4.395 1.00 0.00 C ATOM 1026 NH1 ARG A 65 12.746 -4.018 -3.602 1.00 0.00 N ATOM 1027 NH2 ARG A 65 11.852 -3.802 -5.704 1.00 0.00 N ATOM 0 H ARG A 65 7.997 -0.173 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 65 8.051 1.207 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.748 -0.366 -3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.931 -0.088 -1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.936 -2.225 -1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.433 -2.477 -2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.359 -2.088 -2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.603 -3.656 -1.905 1.00 0.00 H new ATOM 0 HE ARG A 65 9.978 -2.672 -4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.687 -3.864 -2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.557 -4.493 -3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.103 -3.482 -6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.665 -4.278 -6.096 1.00 0.00 H new ATOM 1041 N MET A 66 6.392 -1.594 -3.087 1.00 0.00 N ATOM 1042 CA MET A 66 5.488 -2.279 -4.004 1.00 0.00 C ATOM 1043 C MET A 66 4.290 -1.398 -4.347 1.00 0.00 C ATOM 1044 O MET A 66 4.012 -1.142 -5.518 1.00 0.00 O ATOM 1045 CB MET A 66 5.008 -3.597 -3.393 1.00 0.00 C ATOM 1046 CG MET A 66 5.998 -4.739 -3.556 1.00 0.00 C ATOM 1047 SD MET A 66 5.196 -6.354 -3.585 1.00 0.00 S ATOM 1048 CE MET A 66 5.851 -7.083 -2.086 1.00 0.00 C ATOM 0 H MET A 66 6.508 -2.056 -2.185 1.00 0.00 H new ATOM 0 HA MET A 66 6.036 -2.491 -4.922 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.812 -3.446 -2.331 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.062 -3.879 -3.855 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.559 -4.599 -4.480 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.718 -4.710 -2.738 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.283 -7.980 -1.839 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.898 -7.347 -2.237 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.772 -6.367 -1.268 1.00 0.00 H new ATOM 1058 N ILE A 67 3.587 -0.938 -3.318 1.00 0.00 N ATOM 1059 CA ILE A 67 2.420 -0.086 -3.511 1.00 0.00 C ATOM 1060 C ILE A 67 2.780 1.166 -4.304 1.00 0.00 C ATOM 1061 O ILE A 67 2.197 1.436 -5.355 1.00 0.00 O ATOM 1062 CB ILE A 67 1.800 0.334 -2.165 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.398 -0.902 -1.357 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.598 1.238 -2.394 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.301 -1.717 -2.006 1.00 0.00 C ATOM 0 H ILE A 67 3.805 -1.141 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 67 1.691 -0.672 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 67 2.545 0.891 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.274 -1.535 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.069 -0.588 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.171 1.526 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.912 2.131 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.152 0.705 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.067 -2.577 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.590 -1.100 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.634 -2.062 -2.985 1.00 0.00 H new ATOM 1077 N TYR A 68 3.743 1.926 -3.795 1.00 0.00 N ATOM 1078 CA TYR A 68 4.180 3.150 -4.456 1.00 0.00 C ATOM 1079 C TYR A 68 4.502 2.891 -5.924 1.00 0.00 C ATOM 1080 O TYR A 68 3.936 3.523 -6.816 1.00 0.00 O ATOM 1081 CB TYR A 68 5.407 3.727 -3.747 1.00 0.00 C ATOM 1082 CG TYR A 68 5.102 4.309 -2.385 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.054 5.205 -2.211 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.861 3.963 -1.274 1.00 0.00 C ATOM 1085 CE1 TYR A 68 3.772 5.740 -0.969 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.584 4.492 -0.028 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.539 5.381 0.119 1.00 0.00 C ATOM 1088 OH TYR A 68 4.262 5.911 1.359 1.00 0.00 O ATOM 0 H TYR A 68 4.236 1.716 -2.927 1.00 0.00 H new ATOM 0 HA TYR A 68 3.365 3.872 -4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.156 2.942 -3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.847 4.503 -4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.450 5.488 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.681 3.269 -1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.955 6.436 -0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.182 4.211 0.826 1.00 0.00 H new ATOM 0 HH TYR A 68 4.895 5.554 2.016 1.00 0.00 H new ATOM 1098 N SER A 69 5.417 1.958 -6.167 1.00 0.00 N ATOM 1099 CA SER A 69 5.818 1.616 -7.527 1.00 0.00 C ATOM 1100 C SER A 69 4.634 1.716 -8.484 1.00 0.00 C ATOM 1101 O SER A 69 4.786 2.110 -9.641 1.00 0.00 O ATOM 1102 CB SER A 69 6.404 0.204 -7.569 1.00 0.00 C ATOM 1103 OG SER A 69 6.947 -0.085 -8.846 1.00 0.00 O ATOM 0 H SER A 69 5.895 1.425 -5.440 1.00 0.00 H new ATOM 0 HA SER A 69 6.580 2.328 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.180 0.106 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.628 -0.522 -7.327 1.00 0.00 H new ATOM 0 HG SER A 69 7.317 -0.993 -8.847 1.00 0.00 H new ATOM 1109 N THR A 70 3.452 1.355 -7.993 1.00 0.00 N ATOM 1110 CA THR A 70 2.241 1.402 -8.803 1.00 0.00 C ATOM 1111 C THR A 70 1.721 2.828 -8.932 1.00 0.00 C ATOM 1112 O THR A 70 1.350 3.269 -10.020 1.00 0.00 O ATOM 1113 CB THR A 70 1.132 0.514 -8.208 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.629 -0.811 -7.990 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.075 0.463 -9.132 1.00 0.00 C ATOM 0 H THR A 70 3.308 1.027 -7.038 1.00 0.00 H new ATOM 0 HA THR A 70 2.507 1.025 -9.791 1.00 0.00 H new ATOM 0 HB THR A 70 0.823 0.946 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.918 -1.369 -7.610 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.845 -0.170 -8.690 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.469 1.470 -9.272 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.223 0.053 -10.097 1.00 0.00 H new ATOM 1123 N LEU A 71 1.696 3.547 -7.815 1.00 0.00 N ATOM 1124 CA LEU A 71 1.221 4.926 -7.802 1.00 0.00 C ATOM 1125 C LEU A 71 2.348 5.887 -7.436 1.00 0.00 C ATOM 1126 O LEU A 71 2.144 6.842 -6.687 1.00 0.00 O ATOM 1127 CB LEU A 71 0.064 5.079 -6.814 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.091 4.089 -6.973 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.767 3.838 -5.635 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.096 4.602 -7.994 1.00 0.00 C ATOM 0 H LEU A 71 1.999 3.197 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 71 0.869 5.172 -8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.461 4.984 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.335 6.089 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.687 3.143 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.586 3.131 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.042 3.426 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.158 4.777 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.911 3.885 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.495 5.561 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.603 4.728 -8.958 1.00 0.00 H new ATOM 1142 N ALA A 72 3.536 5.628 -7.972 1.00 0.00 N ATOM 1143 CA ALA A 72 4.694 6.472 -7.705 1.00 0.00 C ATOM 1144 C ALA A 72 4.384 7.937 -7.993 1.00 0.00 C ATOM 1145 O ALA A 72 4.342 8.763 -7.081 1.00 0.00 O ATOM 1146 CB ALA A 72 5.885 6.011 -8.531 1.00 0.00 C ATOM 0 H ALA A 72 3.722 4.841 -8.593 1.00 0.00 H new ATOM 0 HA ALA A 72 4.942 6.381 -6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.743 6.650 -8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.129 4.980 -8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.638 6.071 -9.591 1.00 0.00 H new ATOM 1152 N GLU A 73 4.168 8.252 -9.266 1.00 0.00 N ATOM 1153 CA GLU A 73 3.863 9.619 -9.673 1.00 0.00 C ATOM 1154 C GLU A 73 2.393 9.945 -9.425 1.00 0.00 C ATOM 1155 O GLU A 73 2.054 11.053 -9.010 1.00 0.00 O ATOM 1156 CB GLU A 73 4.199 9.821 -11.152 1.00 0.00 C ATOM 1157 CG GLU A 73 3.513 8.828 -12.074 1.00 0.00 C ATOM 1158 CD GLU A 73 3.438 9.317 -13.507 1.00 0.00 C ATOM 1159 OE1 GLU A 73 3.131 10.511 -13.710 1.00 0.00 O ATOM 1160 OE2 GLU A 73 3.685 8.508 -14.425 1.00 0.00 O ATOM 0 H GLU A 73 4.198 7.580 -10.033 1.00 0.00 H new ATOM 0 HA GLU A 73 4.473 10.294 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.915 10.832 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.278 9.741 -11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.051 7.880 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.505 8.634 -11.707 1.00 0.00 H new ATOM 1167 N GLU A 74 1.525 8.972 -9.683 1.00 0.00 N ATOM 1168 CA GLU A 74 0.091 9.156 -9.489 1.00 0.00 C ATOM 1169 C GLU A 74 -0.187 9.960 -8.222 1.00 0.00 C ATOM 1170 O GLU A 74 -0.938 10.936 -8.245 1.00 0.00 O ATOM 1171 CB GLU A 74 -0.614 7.801 -9.412 1.00 0.00 C ATOM 1172 CG GLU A 74 -0.249 6.859 -10.548 1.00 0.00 C ATOM 1173 CD GLU A 74 -0.403 7.504 -11.912 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -1.115 8.525 -12.008 1.00 0.00 O ATOM 1175 OE2 GLU A 74 0.188 6.987 -12.883 1.00 0.00 O ATOM 0 H GLU A 74 1.789 8.049 -10.027 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.297 9.711 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.366 7.325 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.692 7.961 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.781 6.526 -10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.880 5.972 -10.496 1.00 0.00 H new ATOM 1182 N LEU A 75 0.421 9.542 -7.118 1.00 0.00 N ATOM 1183 CA LEU A 75 0.239 10.221 -5.840 1.00 0.00 C ATOM 1184 C LEU A 75 0.934 11.579 -5.841 1.00 0.00 C ATOM 1185 O LEU A 75 0.521 12.500 -5.136 1.00 0.00 O ATOM 1186 CB LEU A 75 0.782 9.359 -4.700 1.00 0.00 C ATOM 1187 CG LEU A 75 0.388 7.882 -4.729 1.00 0.00 C ATOM 1188 CD1 LEU A 75 1.468 7.028 -4.082 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -0.949 7.672 -4.032 1.00 0.00 C ATOM 0 H LEU A 75 1.045 8.736 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.829 10.380 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.870 9.424 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.444 9.786 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 75 0.285 7.574 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.170 5.980 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.405 7.154 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.604 7.337 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.213 6.615 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.873 7.997 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.719 8.253 -4.539 1.00 0.00 H new ATOM 1201 N SER A 76 1.991 11.697 -6.640 1.00 0.00 N ATOM 1202 CA SER A 76 2.745 12.941 -6.732 1.00 0.00 C ATOM 1203 C SER A 76 2.054 13.926 -7.671 1.00 0.00 C ATOM 1204 O SER A 76 2.651 14.913 -8.103 1.00 0.00 O ATOM 1205 CB SER A 76 4.168 12.666 -7.220 1.00 0.00 C ATOM 1206 OG SER A 76 4.923 11.986 -6.233 1.00 0.00 O ATOM 0 H SER A 76 2.344 10.945 -7.233 1.00 0.00 H new ATOM 0 HA SER A 76 2.790 13.384 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.134 12.069 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.657 13.607 -7.473 1.00 0.00 H new ATOM 0 HG SER A 76 5.828 11.820 -6.570 1.00 0.00 H new ATOM 1212 N THR A 77 0.792 13.651 -7.983 1.00 0.00 N ATOM 1213 CA THR A 77 0.019 14.510 -8.871 1.00 0.00 C ATOM 1214 C THR A 77 -0.745 15.568 -8.084 1.00 0.00 C ATOM 1215 O THR A 77 -0.564 16.768 -8.297 1.00 0.00 O ATOM 1216 CB THR A 77 -0.978 13.694 -9.715 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.272 12.761 -10.541 1.00 0.00 O ATOM 1218 CG2 THR A 77 -1.826 14.609 -10.586 1.00 0.00 C ATOM 0 H THR A 77 0.283 12.839 -7.633 1.00 0.00 H new ATOM 0 HA THR A 77 0.731 14.999 -9.536 1.00 0.00 H new ATOM 0 HB THR A 77 -1.636 13.152 -9.036 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.287 11.876 -10.121 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.522 14.010 -11.173 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.384 15.299 -9.953 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.179 15.175 -11.257 1.00 0.00 H new ATOM 1226 N THR A 78 -1.602 15.118 -7.173 1.00 0.00 N ATOM 1227 CA THR A 78 -2.395 16.026 -6.354 1.00 0.00 C ATOM 1228 C THR A 78 -2.179 15.758 -4.869 1.00 0.00 C ATOM 1229 O THR A 78 -1.898 16.675 -4.097 1.00 0.00 O ATOM 1230 CB THR A 78 -3.897 15.904 -6.673 1.00 0.00 C ATOM 1231 OG1 THR A 78 -4.631 16.908 -5.964 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.419 14.525 -6.297 1.00 0.00 C ATOM 0 H THR A 78 -1.765 14.129 -6.984 1.00 0.00 H new ATOM 0 HA THR A 78 -2.062 17.037 -6.590 1.00 0.00 H new ATOM 0 HB THR A 78 -4.032 16.046 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.585 16.825 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.482 14.462 -6.531 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.878 13.765 -6.860 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.272 14.359 -5.230 1.00 0.00 H new ATOM 1240 N VAL A 79 -2.311 14.496 -4.475 1.00 0.00 N ATOM 1241 CA VAL A 79 -2.128 14.107 -3.081 1.00 0.00 C ATOM 1242 C VAL A 79 -0.704 14.386 -2.615 1.00 0.00 C ATOM 1243 O VAL A 79 0.262 13.924 -3.224 1.00 0.00 O ATOM 1244 CB VAL A 79 -2.443 12.614 -2.870 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.872 12.130 -1.545 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.943 12.372 -2.933 1.00 0.00 C ATOM 0 H VAL A 79 -2.544 13.725 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.823 14.704 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.972 12.044 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.104 11.073 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.791 12.267 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.312 12.703 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.147 11.312 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.438 12.952 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.320 12.679 -3.909 1.00 0.00 H new ATOM 1256 N HIS A 80 -0.580 15.145 -1.531 1.00 0.00 N ATOM 1257 CA HIS A 80 0.728 15.485 -0.981 1.00 0.00 C ATOM 1258 C HIS A 80 1.294 14.325 -0.168 1.00 0.00 C ATOM 1259 O HIS A 80 2.225 13.646 -0.601 1.00 0.00 O ATOM 1260 CB HIS A 80 0.627 16.735 -0.107 1.00 0.00 C ATOM 1261 CG HIS A 80 0.794 18.014 -0.868 1.00 0.00 C ATOM 1262 ND1 HIS A 80 1.933 18.789 -0.797 1.00 0.00 N ATOM 1263 CD2 HIS A 80 -0.040 18.651 -1.722 1.00 0.00 C ATOM 1264 CE1 HIS A 80 1.790 19.849 -1.573 1.00 0.00 C ATOM 1265 NE2 HIS A 80 0.601 19.789 -2.146 1.00 0.00 N ATOM 0 H HIS A 80 -1.369 15.536 -1.016 1.00 0.00 H new ATOM 0 HA HIS A 80 1.404 15.686 -1.812 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.342 16.742 0.391 1.00 0.00 H new ATOM 0 HB3 HIS A 80 1.386 16.685 0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.027 18.325 -2.016 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.521 20.631 -1.715 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.221 20.476 -2.797 1.00 0.00 H new ATOM 1274 N ALA A 81 0.726 14.104 1.013 1.00 0.00 N ATOM 1275 CA ALA A 81 1.174 13.026 1.886 1.00 0.00 C ATOM 1276 C ALA A 81 0.169 11.878 1.900 1.00 0.00 C ATOM 1277 O ALA A 81 -1.017 12.074 1.631 1.00 0.00 O ATOM 1278 CB ALA A 81 1.400 13.549 3.297 1.00 0.00 C ATOM 0 H ALA A 81 -0.045 14.657 1.387 1.00 0.00 H new ATOM 0 HA ALA A 81 2.118 12.644 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.734 12.733 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.160 14.330 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.468 13.958 3.687 1.00 0.00 H new ATOM 1284 N LEU A 82 0.651 10.681 2.214 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.205 9.500 2.263 1.00 0.00 C ATOM 1286 C LEU A 82 0.337 8.475 3.253 1.00 0.00 C ATOM 1287 O LEU A 82 1.547 8.279 3.358 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.321 8.873 0.872 1.00 0.00 C ATOM 1289 CG LEU A 82 -0.913 7.464 0.819 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.222 7.406 1.591 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.122 7.028 -0.624 1.00 0.00 C ATOM 0 H LEU A 82 1.630 10.502 2.439 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.194 9.812 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.933 9.526 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.672 8.845 0.424 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.209 6.776 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.629 6.396 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.043 7.675 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.934 8.105 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.544 6.023 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.806 7.718 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.166 7.030 -1.147 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.567 7.821 3.975 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.180 6.812 4.953 1.00 0.00 C ATOM 1305 C ALA A 83 -0.746 5.445 4.585 1.00 0.00 C ATOM 1306 O ALA A 83 -1.935 5.183 4.772 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.643 7.221 6.343 1.00 0.00 C ATOM 0 H ALA A 83 -1.573 7.972 3.901 1.00 0.00 H new ATOM 0 HA ALA A 83 0.907 6.737 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.348 6.459 7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.186 8.173 6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.728 7.325 6.349 1.00 0.00 H new ATOM 1313 N LEU A 84 0.111 4.577 4.060 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.304 3.235 3.664 1.00 0.00 C ATOM 1315 C LEU A 84 -0.399 2.315 4.877 1.00 0.00 C ATOM 1316 O LEU A 84 0.512 2.263 5.704 1.00 0.00 O ATOM 1317 CB LEU A 84 0.679 2.655 2.646 1.00 0.00 C ATOM 1318 CG LEU A 84 0.914 3.492 1.388 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.042 2.901 0.557 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.363 3.587 0.566 1.00 0.00 C ATOM 0 H LEU A 84 1.098 4.778 3.898 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.291 3.307 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.638 2.504 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.319 1.672 2.342 1.00 0.00 H new ATOM 0 HG LEU A 84 1.203 4.498 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.195 3.510 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.958 2.885 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.782 1.884 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.178 4.186 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.681 2.587 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.146 4.056 1.162 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.508 1.589 4.977 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.722 0.669 6.088 1.00 0.00 C ATOM 1334 C HIS A 85 -1.897 -0.761 5.583 1.00 0.00 C ATOM 1335 O HIS A 85 -3.019 -1.252 5.453 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.948 1.089 6.898 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.642 2.086 7.974 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.643 1.903 8.907 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.209 3.281 8.262 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.609 2.942 9.722 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.549 3.792 9.352 1.00 0.00 N ATOM 0 H HIS A 85 -2.272 1.620 4.302 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.842 0.704 6.731 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.692 1.512 6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.395 0.204 7.351 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.028 3.746 7.733 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.928 3.074 10.550 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.752 4.684 9.803 1.00 0.00 H new ATOM 1350 N THR A 86 -0.781 -1.424 5.298 1.00 0.00 N ATOM 1351 CA THR A 86 -0.811 -2.795 4.805 1.00 0.00 C ATOM 1352 C THR A 86 -0.865 -3.792 5.957 1.00 0.00 C ATOM 1353 O THR A 86 0.009 -3.801 6.825 1.00 0.00 O ATOM 1354 CB THR A 86 0.418 -3.105 3.930 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.620 -2.821 4.655 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.389 -2.288 2.647 1.00 0.00 C ATOM 0 H THR A 86 0.156 -1.033 5.400 1.00 0.00 H new ATOM 0 HA THR A 86 -1.712 -2.893 4.200 1.00 0.00 H new ATOM 0 HB THR A 86 0.393 -4.163 3.669 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.463 -2.953 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.267 -2.524 2.045 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.512 -2.528 2.083 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.392 -1.226 2.892 1.00 0.00 H new ATOM 1364 N TYR A 87 -1.895 -4.631 5.959 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.063 -5.632 7.006 1.00 0.00 C ATOM 1366 C TYR A 87 -2.375 -7.000 6.407 1.00 0.00 C ATOM 1367 O TYR A 87 -3.154 -7.114 5.460 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.180 -5.215 7.964 1.00 0.00 C ATOM 1369 CG TYR A 87 -2.830 -4.016 8.817 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.568 -2.780 8.239 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -2.761 -4.120 10.201 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.248 -1.683 9.014 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -2.443 -3.027 10.984 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.187 -1.811 10.386 1.00 0.00 C ATOM 1375 OH TYR A 87 -1.868 -0.721 11.163 1.00 0.00 O ATOM 0 H TYR A 87 -2.626 -4.638 5.248 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.127 -5.703 7.559 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.077 -4.990 7.387 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.422 -6.055 8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.615 -2.676 7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.959 -5.071 10.672 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.046 -0.730 8.548 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.395 -3.124 12.059 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.831 0.081 10.602 1.00 0.00 H new ATOM 1385 N THR A 88 -1.762 -8.038 6.968 1.00 0.00 N ATOM 1386 CA THR A 88 -1.973 -9.399 6.491 1.00 0.00 C ATOM 1387 C THR A 88 -3.358 -9.908 6.874 1.00 0.00 C ATOM 1388 O THR A 88 -4.099 -9.236 7.593 1.00 0.00 O ATOM 1389 CB THR A 88 -0.911 -10.362 7.053 1.00 0.00 C ATOM 1390 OG1 THR A 88 -1.131 -10.571 8.452 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.490 -9.812 6.831 1.00 0.00 C ATOM 0 H THR A 88 -1.115 -7.962 7.753 1.00 0.00 H new ATOM 0 HA THR A 88 -1.888 -9.370 5.405 1.00 0.00 H new ATOM 0 HB THR A 88 -0.999 -11.312 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.055 -11.527 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.223 -10.509 7.236 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.665 -9.682 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.587 -8.850 7.334 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.701 -11.097 6.391 1.00 0.00 N ATOM 1400 CA ILE A 89 -4.996 -11.696 6.686 1.00 0.00 C ATOM 1401 C ILE A 89 -5.121 -12.035 8.167 1.00 0.00 C ATOM 1402 O ILE A 89 -6.203 -11.942 8.748 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.228 -12.973 5.857 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.133 -12.662 4.362 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.580 -13.584 6.192 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -3.726 -12.749 3.815 1.00 0.00 C ATOM 0 H ILE A 89 -3.100 -11.665 5.794 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.752 -10.958 6.420 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.452 -13.697 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.771 -13.355 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.523 -11.660 4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.729 -14.486 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.612 -13.838 7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.369 -12.867 5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.735 -12.516 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.088 -12.036 4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.340 -13.758 3.963 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.007 -12.428 8.775 1.00 0.00 N ATOM 1419 CA LYS A 90 -3.988 -12.778 10.190 1.00 0.00 C ATOM 1420 C LYS A 90 -3.892 -11.528 11.059 1.00 0.00 C ATOM 1421 O LYS A 90 -4.761 -11.272 11.891 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.814 -13.713 10.490 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.305 -13.611 11.917 1.00 0.00 C ATOM 1424 CD LYS A 90 -3.328 -14.132 12.913 1.00 0.00 C ATOM 1425 CE LYS A 90 -2.666 -14.597 14.201 1.00 0.00 C ATOM 1426 NZ LYS A 90 -3.559 -15.487 14.993 1.00 0.00 N ATOM 0 H LYS A 90 -3.104 -12.512 8.309 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.921 -13.290 10.424 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.120 -14.741 10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.997 -13.488 9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.379 -14.178 12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.069 -12.572 12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.051 -13.348 13.137 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.882 -14.959 12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.743 -15.126 13.964 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.391 -13.730 14.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.072 -15.782 15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.429 -14.974 15.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.801 -16.327 14.429 1.00 0.00 H new ATOM 1440 N GLU A 91 -2.830 -10.754 10.858 1.00 0.00 N ATOM 1441 CA GLU A 91 -2.622 -9.531 11.624 1.00 0.00 C ATOM 1442 C GLU A 91 -3.887 -8.679 11.643 1.00 0.00 C ATOM 1443 O GLU A 91 -4.058 -7.821 12.509 1.00 0.00 O ATOM 1444 CB GLU A 91 -1.461 -8.726 11.035 1.00 0.00 C ATOM 1445 CG GLU A 91 -1.898 -7.669 10.036 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.758 -6.769 9.602 1.00 0.00 C ATOM 1447 OE1 GLU A 91 0.093 -7.229 8.812 1.00 0.00 O ATOM 1448 OE2 GLU A 91 -0.715 -5.605 10.052 1.00 0.00 O ATOM 0 H GLU A 91 -2.101 -10.952 10.172 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.378 -9.811 12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.916 -8.244 11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.767 -9.410 10.547 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.324 -8.157 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.688 -7.061 10.478 1.00 0.00 H new ATOM 1455 N TRP A 92 -4.771 -8.922 10.682 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.022 -8.177 10.587 1.00 0.00 C ATOM 1457 C TRP A 92 -7.145 -8.904 11.318 1.00 0.00 C ATOM 1458 O TRP A 92 -8.024 -8.274 11.906 1.00 0.00 O ATOM 1459 CB TRP A 92 -6.403 -7.965 9.121 1.00 0.00 C ATOM 1460 CG TRP A 92 -7.446 -6.907 8.926 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -8.637 -7.040 8.270 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -7.391 -5.553 9.389 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.325 -5.851 8.298 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -8.582 -4.923 8.979 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -6.452 -4.812 10.112 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -8.856 -3.589 9.268 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -6.725 -3.488 10.397 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -7.919 -2.888 9.977 1.00 0.00 C ATOM 0 H TRP A 92 -4.645 -9.629 9.957 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.875 -7.206 11.060 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.511 -7.694 8.557 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.768 -8.905 8.708 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.986 -7.947 7.799 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.240 -5.686 7.880 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.529 -5.266 10.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -9.775 -3.124 8.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.005 -2.906 10.953 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.104 -1.851 10.218 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.109 -10.232 11.278 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.126 -11.043 11.937 1.00 0.00 C ATOM 1481 C GLU A 93 -8.515 -10.440 13.283 1.00 0.00 C ATOM 1482 O GLU A 93 -9.674 -10.501 13.692 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.620 -12.474 12.134 1.00 0.00 C ATOM 1484 CG GLU A 93 -7.849 -13.372 10.929 1.00 0.00 C ATOM 1485 CD GLU A 93 -8.054 -14.824 11.315 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -7.089 -15.448 11.804 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -9.177 -15.336 11.127 1.00 0.00 O ATOM 0 H GLU A 93 -6.387 -10.769 10.797 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.009 -11.062 11.298 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.554 -12.446 12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.116 -12.910 13.001 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.721 -13.020 10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.995 -13.296 10.256 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.537 -9.856 13.969 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.795 -9.251 15.262 1.00 0.00 C ATOM 1496 C GLY A 94 -6.602 -8.480 15.790 1.00 0.00 C ATOM 1497 O GLY A 94 -6.033 -8.833 16.824 1.00 0.00 O ATOM 0 H GLY A 94 -6.570 -9.791 13.652 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.650 -8.580 15.182 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.066 -10.029 15.976 1.00 0.00 H new