USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 1.04 (180deg=0.963) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0383 K(o=-0.038,f=-0.96) USER MOD Single : A 64 HIS : no HD1:sc= -0.099 X(o=-0.099,f=0) USER MOD Single : A 66 MET CE :methyl 165:sc= 0 (180deg=-0.09) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 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 -46:sc= 0.476 USER MOD Single : A 77 THR OG1 : rot 93:sc= 0.214 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=-0.00085) USER MOD Single : A 85 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 86 THR OG1 : rot 22:sc= -0.074 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -12.743 11.494 -8.857 1.00 0.00 N ATOM 84 CA MET A 9 -11.970 11.626 -7.628 1.00 0.00 C ATOM 85 C MET A 9 -10.633 10.900 -7.746 1.00 0.00 C ATOM 86 O MET A 9 -10.421 10.120 -8.675 1.00 0.00 O ATOM 87 CB MET A 9 -12.761 11.073 -6.440 1.00 0.00 C ATOM 88 CG MET A 9 -13.841 12.016 -5.938 1.00 0.00 C ATOM 89 SD MET A 9 -13.222 13.200 -4.727 1.00 0.00 S ATOM 90 CE MET A 9 -14.033 12.618 -3.239 1.00 0.00 C ATOM 0 HA MET A 9 -11.775 12.686 -7.463 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.221 10.128 -6.728 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.071 10.856 -5.624 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.268 12.556 -6.783 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.647 11.434 -5.492 1.00 0.00 H new ATOM 0 HE1 MET A 9 -13.749 13.251 -2.398 1.00 0.00 H new ATOM 0 HE2 MET A 9 -15.114 12.658 -3.374 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.730 11.590 -3.038 1.00 0.00 H new ATOM 100 N ILE A 10 -9.738 11.161 -6.800 1.00 0.00 N ATOM 101 CA ILE A 10 -8.423 10.531 -6.799 1.00 0.00 C ATOM 102 C ILE A 10 -8.498 9.102 -6.272 1.00 0.00 C ATOM 103 O ILE A 10 -7.942 8.180 -6.869 1.00 0.00 O ATOM 104 CB ILE A 10 -7.418 11.329 -5.947 1.00 0.00 C ATOM 105 CG1 ILE A 10 -7.199 12.720 -6.545 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.099 10.578 -5.843 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.614 12.693 -7.939 1.00 0.00 C ATOM 0 H ILE A 10 -9.899 11.804 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.079 10.516 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.828 11.446 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.151 13.250 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.535 13.287 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.399 11.154 -5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.269 9.608 -5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.683 10.433 -6.840 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.486 13.714 -8.300 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.646 12.192 -7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.287 12.154 -8.606 1.00 0.00 H new ATOM 119 N ARG A 11 -9.191 8.926 -5.152 1.00 0.00 N ATOM 120 CA ARG A 11 -9.340 7.609 -4.544 1.00 0.00 C ATOM 121 C ARG A 11 -9.743 6.572 -5.588 1.00 0.00 C ATOM 122 O ARG A 11 -9.288 5.429 -5.548 1.00 0.00 O ATOM 123 CB ARG A 11 -10.383 7.655 -3.426 1.00 0.00 C ATOM 124 CG ARG A 11 -11.671 8.358 -3.823 1.00 0.00 C ATOM 125 CD ARG A 11 -12.861 7.825 -3.040 1.00 0.00 C ATOM 126 NE ARG A 11 -12.990 8.470 -1.736 1.00 0.00 N ATOM 127 CZ ARG A 11 -14.112 8.470 -1.024 1.00 0.00 C ATOM 128 NH1 ARG A 11 -15.195 7.863 -1.488 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.151 9.078 0.154 1.00 0.00 N ATOM 0 H ARG A 11 -9.658 9.679 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.378 7.320 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.616 6.636 -3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.954 8.161 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.570 9.429 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.846 8.223 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.774 7.983 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.753 6.749 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.174 8.946 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.168 7.394 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.055 7.864 -0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.319 9.546 0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.013 9.078 0.700 1.00 0.00 H new ATOM 143 N GLU A 12 -10.598 6.979 -6.521 1.00 0.00 N ATOM 144 CA GLU A 12 -11.062 6.084 -7.574 1.00 0.00 C ATOM 145 C GLU A 12 -9.892 5.572 -8.409 1.00 0.00 C ATOM 146 O GLU A 12 -9.641 4.369 -8.474 1.00 0.00 O ATOM 147 CB GLU A 12 -12.071 6.800 -8.475 1.00 0.00 C ATOM 148 CG GLU A 12 -13.511 6.656 -8.011 1.00 0.00 C ATOM 149 CD GLU A 12 -13.707 7.093 -6.573 1.00 0.00 C ATOM 150 OE1 GLU A 12 -13.311 6.336 -5.662 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.257 8.194 -6.358 1.00 0.00 O ATOM 0 H GLU A 12 -10.983 7.922 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.549 5.231 -7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.817 7.859 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.984 6.407 -9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.158 7.248 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.820 5.616 -8.116 1.00 0.00 H new ATOM 158 N ARG A 13 -9.179 6.496 -9.046 1.00 0.00 N ATOM 159 CA ARG A 13 -8.036 6.139 -9.878 1.00 0.00 C ATOM 160 C ARG A 13 -7.019 5.323 -9.084 1.00 0.00 C ATOM 161 O ARG A 13 -6.455 4.353 -9.592 1.00 0.00 O ATOM 162 CB ARG A 13 -7.371 7.399 -10.435 1.00 0.00 C ATOM 163 CG ARG A 13 -8.304 8.263 -11.267 1.00 0.00 C ATOM 164 CD ARG A 13 -7.606 9.518 -11.765 1.00 0.00 C ATOM 165 NE ARG A 13 -8.146 9.976 -13.043 1.00 0.00 N ATOM 166 CZ ARG A 13 -7.743 9.511 -14.220 1.00 0.00 C ATOM 167 NH1 ARG A 13 -6.801 8.580 -14.282 1.00 0.00 N ATOM 168 NH2 ARG A 13 -8.284 9.977 -15.339 1.00 0.00 N ATOM 0 H ARG A 13 -9.373 7.496 -9.002 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.398 5.530 -10.707 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.983 7.992 -9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.517 7.109 -11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.672 7.689 -12.117 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.173 8.541 -10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.711 10.309 -11.023 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.539 9.321 -11.872 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.872 10.692 -13.031 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.384 8.219 -13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.494 8.225 -15.187 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.010 10.693 -15.295 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.974 9.620 -16.243 1.00 0.00 H new ATOM 182 N ILE A 14 -6.791 5.723 -7.838 1.00 0.00 N ATOM 183 CA ILE A 14 -5.843 5.029 -6.975 1.00 0.00 C ATOM 184 C ILE A 14 -6.224 3.561 -6.810 1.00 0.00 C ATOM 185 O ILE A 14 -5.510 2.670 -7.268 1.00 0.00 O ATOM 186 CB ILE A 14 -5.761 5.686 -5.585 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.133 7.077 -5.691 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.963 4.810 -4.631 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.096 7.826 -4.377 1.00 0.00 C ATOM 0 H ILE A 14 -7.249 6.524 -7.403 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.868 5.097 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.771 5.793 -5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.117 6.980 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.692 7.665 -6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.914 5.288 -3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.449 3.839 -4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.954 4.675 -5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.638 8.803 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.112 7.955 -4.003 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.512 7.260 -3.652 1.00 0.00 H new ATOM 201 N GLU A 15 -7.354 3.319 -6.153 1.00 0.00 N ATOM 202 CA GLU A 15 -7.830 1.959 -5.928 1.00 0.00 C ATOM 203 C GLU A 15 -8.036 1.229 -7.252 1.00 0.00 C ATOM 204 O GLU A 15 -7.513 0.134 -7.456 1.00 0.00 O ATOM 205 CB GLU A 15 -9.137 1.978 -5.134 1.00 0.00 C ATOM 206 CG GLU A 15 -8.935 1.971 -3.628 1.00 0.00 C ATOM 207 CD GLU A 15 -10.243 1.902 -2.864 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.275 2.345 -3.411 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.235 1.405 -1.718 1.00 0.00 O ATOM 0 H GLU A 15 -7.956 4.046 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.072 1.426 -5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.708 2.864 -5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.736 1.112 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.312 1.120 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.394 2.870 -3.334 1.00 0.00 H new ATOM 216 N GLU A 16 -8.803 1.844 -8.147 1.00 0.00 N ATOM 217 CA GLU A 16 -9.079 1.252 -9.451 1.00 0.00 C ATOM 218 C GLU A 16 -7.877 0.459 -9.954 1.00 0.00 C ATOM 219 O GLU A 16 -8.027 -0.608 -10.550 1.00 0.00 O ATOM 220 CB GLU A 16 -9.447 2.340 -10.462 1.00 0.00 C ATOM 221 CG GLU A 16 -10.928 2.677 -10.482 1.00 0.00 C ATOM 222 CD GLU A 16 -11.324 3.495 -11.695 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.611 4.470 -12.013 1.00 0.00 O ATOM 224 OE2 GLU A 16 -12.348 3.160 -12.328 1.00 0.00 O ATOM 0 H GLU A 16 -9.244 2.751 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.921 0.569 -9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.881 3.243 -10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.143 2.017 -11.458 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.507 1.754 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.183 3.229 -9.577 1.00 0.00 H new ATOM 231 N LYS A 17 -6.683 0.989 -9.712 1.00 0.00 N ATOM 232 CA LYS A 17 -5.453 0.333 -10.139 1.00 0.00 C ATOM 233 C LYS A 17 -5.091 -0.812 -9.198 1.00 0.00 C ATOM 234 O LYS A 17 -5.014 -1.969 -9.612 1.00 0.00 O ATOM 235 CB LYS A 17 -4.304 1.343 -10.195 1.00 0.00 C ATOM 236 CG LYS A 17 -4.153 2.018 -11.547 1.00 0.00 C ATOM 237 CD LYS A 17 -2.707 2.391 -11.825 1.00 0.00 C ATOM 238 CE LYS A 17 -2.426 2.459 -13.319 1.00 0.00 C ATOM 239 NZ LYS A 17 -1.116 3.105 -13.608 1.00 0.00 N ATOM 0 H LYS A 17 -6.541 1.872 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.618 -0.077 -11.135 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.465 2.106 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.372 0.835 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.515 1.352 -12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.773 2.914 -11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.484 3.355 -11.368 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.046 1.658 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.434 1.452 -13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.222 3.015 -13.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.977 3.163 -14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.104 4.063 -13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.350 2.541 -13.186 1.00 0.00 H new ATOM 253 N LEU A 18 -4.873 -0.482 -7.929 1.00 0.00 N ATOM 254 CA LEU A 18 -4.522 -1.483 -6.928 1.00 0.00 C ATOM 255 C LEU A 18 -5.375 -2.737 -7.089 1.00 0.00 C ATOM 256 O LEU A 18 -4.941 -3.842 -6.761 1.00 0.00 O ATOM 257 CB LEU A 18 -4.698 -0.910 -5.521 1.00 0.00 C ATOM 258 CG LEU A 18 -3.981 0.411 -5.240 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.504 1.040 -3.958 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.477 0.195 -5.155 1.00 0.00 C ATOM 0 H LEU A 18 -4.933 0.471 -7.570 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.477 -1.756 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.763 -0.768 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.348 -1.651 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.183 1.094 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.982 1.979 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.572 1.232 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.333 0.360 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.984 1.146 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.255 -0.506 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.114 -0.210 -6.099 1.00 0.00 H new ATOM 272 N ARG A 19 -6.589 -2.559 -7.599 1.00 0.00 N ATOM 273 CA ARG A 19 -7.503 -3.676 -7.805 1.00 0.00 C ATOM 274 C ARG A 19 -6.828 -4.791 -8.598 1.00 0.00 C ATOM 275 O ARG A 19 -6.766 -5.936 -8.150 1.00 0.00 O ATOM 276 CB ARG A 19 -8.762 -3.205 -8.537 1.00 0.00 C ATOM 277 CG ARG A 19 -9.782 -2.541 -7.627 1.00 0.00 C ATOM 278 CD ARG A 19 -11.102 -2.310 -8.345 1.00 0.00 C ATOM 279 NE ARG A 19 -11.725 -3.564 -8.762 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.616 -3.651 -9.743 1.00 0.00 C ATOM 281 NH1 ARG A 19 -12.987 -2.563 -10.405 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.138 -4.827 -10.065 1.00 0.00 N ATOM 0 H ARG A 19 -6.963 -1.652 -7.877 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.785 -4.067 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.476 -2.504 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.228 -4.059 -9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.949 -3.165 -6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.389 -1.589 -7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.782 -1.768 -7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.934 -1.680 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.461 -4.419 -8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.588 -1.657 -10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.671 -2.633 -11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.855 -5.666 -9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.822 -4.892 -10.819 1.00 0.00 H new ATOM 296 N ALA A 20 -6.325 -4.449 -9.780 1.00 0.00 N ATOM 297 CA ALA A 20 -5.654 -5.421 -10.635 1.00 0.00 C ATOM 298 C ALA A 20 -4.159 -5.472 -10.339 1.00 0.00 C ATOM 299 O ALA A 20 -3.525 -6.518 -10.476 1.00 0.00 O ATOM 300 CB ALA A 20 -5.892 -5.088 -12.100 1.00 0.00 C ATOM 0 H ALA A 20 -6.369 -3.506 -10.167 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.074 -6.405 -10.424 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.385 -5.822 -12.727 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.962 -5.109 -12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.500 -4.094 -12.316 1.00 0.00 H new ATOM 306 N ALA A 21 -3.601 -4.336 -9.932 1.00 0.00 N ATOM 307 CA ALA A 21 -2.181 -4.253 -9.615 1.00 0.00 C ATOM 308 C ALA A 21 -1.757 -5.388 -8.691 1.00 0.00 C ATOM 309 O ALA A 21 -0.846 -6.154 -9.008 1.00 0.00 O ATOM 310 CB ALA A 21 -1.860 -2.906 -8.983 1.00 0.00 C ATOM 0 H ALA A 21 -4.111 -3.461 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.620 -4.349 -10.545 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.796 -2.857 -8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.117 -2.107 -9.679 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.437 -2.788 -8.066 1.00 0.00 H new ATOM 316 N PHE A 22 -2.422 -5.492 -7.545 1.00 0.00 N ATOM 317 CA PHE A 22 -2.113 -6.534 -6.573 1.00 0.00 C ATOM 318 C PHE A 22 -3.266 -7.527 -6.454 1.00 0.00 C ATOM 319 O PHE A 22 -3.057 -8.739 -6.465 1.00 0.00 O ATOM 320 CB PHE A 22 -1.815 -5.914 -5.206 1.00 0.00 C ATOM 321 CG PHE A 22 -0.683 -4.928 -5.228 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.632 -5.364 -5.267 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.932 -3.565 -5.211 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.677 -4.459 -5.288 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.108 -2.656 -5.232 1.00 0.00 C ATOM 326 CZ PHE A 22 1.414 -3.103 -5.270 1.00 0.00 C ATOM 0 H PHE A 22 -3.179 -4.867 -7.267 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.230 -7.070 -6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.712 -5.416 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.579 -6.709 -4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.843 -6.423 -5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.951 -3.209 -5.181 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.697 -4.812 -5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.100 -1.596 -5.219 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.228 -2.394 -5.286 1.00 0.00 H new ATOM 336 N GLN A 23 -4.481 -7.001 -6.340 1.00 0.00 N ATOM 337 CA GLN A 23 -5.667 -7.841 -6.217 1.00 0.00 C ATOM 338 C GLN A 23 -5.765 -8.445 -4.820 1.00 0.00 C ATOM 339 O GLN A 23 -5.887 -9.658 -4.648 1.00 0.00 O ATOM 340 CB GLN A 23 -5.640 -8.954 -7.266 1.00 0.00 C ATOM 341 CG GLN A 23 -5.061 -8.518 -8.602 1.00 0.00 C ATOM 342 CD GLN A 23 -5.539 -9.379 -9.755 1.00 0.00 C ATOM 343 OE1 GLN A 23 -4.854 -10.312 -10.174 1.00 0.00 O ATOM 344 NE2 GLN A 23 -6.722 -9.069 -10.274 1.00 0.00 N ATOM 0 H GLN A 23 -4.670 -5.999 -6.330 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.543 -7.215 -6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.055 -9.790 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.655 -9.320 -7.421 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.335 -7.480 -8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.973 -8.556 -8.552 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.256 -8.287 -9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.096 -9.613 -11.051 1.00 0.00 H new ATOM 353 N PRO A 24 -5.709 -7.580 -3.796 1.00 0.00 N ATOM 354 CA PRO A 24 -5.790 -8.005 -2.396 1.00 0.00 C ATOM 355 C PRO A 24 -7.179 -8.509 -2.022 1.00 0.00 C ATOM 356 O PRO A 24 -8.038 -8.689 -2.885 1.00 0.00 O ATOM 357 CB PRO A 24 -5.457 -6.729 -1.618 1.00 0.00 C ATOM 358 CG PRO A 24 -5.832 -5.617 -2.536 1.00 0.00 C ATOM 359 CD PRO A 24 -5.564 -6.120 -3.927 1.00 0.00 C ATOM 0 HA PRO A 24 -5.119 -8.838 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.017 -6.677 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.399 -6.688 -1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.881 -5.347 -2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.246 -4.722 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.272 -5.709 -4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.566 -5.844 -4.269 1.00 0.00 H new ATOM 367 N VAL A 25 -7.394 -8.735 -0.730 1.00 0.00 N ATOM 368 CA VAL A 25 -8.681 -9.217 -0.242 1.00 0.00 C ATOM 369 C VAL A 25 -9.527 -8.071 0.301 1.00 0.00 C ATOM 370 O VAL A 25 -10.746 -8.191 0.427 1.00 0.00 O ATOM 371 CB VAL A 25 -8.501 -10.276 0.862 1.00 0.00 C ATOM 372 CG1 VAL A 25 -7.857 -11.533 0.297 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.676 -9.714 2.010 1.00 0.00 C ATOM 0 H VAL A 25 -6.694 -8.592 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.192 -9.671 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.485 -10.543 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.738 -12.270 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.491 -11.945 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.880 -11.286 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.559 -10.476 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.694 -9.417 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.183 -8.846 2.432 1.00 0.00 H new ATOM 383 N PHE A 26 -8.873 -6.960 0.621 1.00 0.00 N ATOM 384 CA PHE A 26 -9.565 -5.791 1.151 1.00 0.00 C ATOM 385 C PHE A 26 -9.083 -4.516 0.466 1.00 0.00 C ATOM 386 O PHE A 26 -7.949 -4.443 -0.009 1.00 0.00 O ATOM 387 CB PHE A 26 -9.347 -5.685 2.662 1.00 0.00 C ATOM 388 CG PHE A 26 -10.263 -4.701 3.332 1.00 0.00 C ATOM 389 CD1 PHE A 26 -9.958 -3.349 3.345 1.00 0.00 C ATOM 390 CD2 PHE A 26 -11.428 -5.127 3.949 1.00 0.00 C ATOM 391 CE1 PHE A 26 -10.799 -2.442 3.961 1.00 0.00 C ATOM 392 CE2 PHE A 26 -12.273 -4.224 4.566 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.958 -2.880 4.572 1.00 0.00 C ATOM 0 H PHE A 26 -7.864 -6.844 0.523 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.630 -5.909 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.491 -6.667 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.314 -5.395 2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.053 -3.001 2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.679 -6.177 3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -10.550 -1.391 3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.178 -4.569 5.043 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.616 -2.172 5.053 1.00 0.00 H new ATOM 403 N LEU A 27 -9.952 -3.513 0.417 1.00 0.00 N ATOM 404 CA LEU A 27 -9.617 -2.239 -0.211 1.00 0.00 C ATOM 405 C LEU A 27 -10.545 -1.131 0.276 1.00 0.00 C ATOM 406 O LEU A 27 -11.754 -1.327 0.391 1.00 0.00 O ATOM 407 CB LEU A 27 -9.704 -2.361 -1.733 1.00 0.00 C ATOM 408 CG LEU A 27 -8.759 -1.463 -2.533 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.310 -1.814 -2.234 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.042 -1.584 -4.023 1.00 0.00 C ATOM 0 H LEU A 27 -10.894 -3.557 0.805 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.596 -1.981 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.506 -3.398 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.727 -2.141 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.931 -0.429 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.652 -1.165 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.114 -1.675 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.124 -2.853 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.360 -0.938 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.899 -2.618 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.070 -1.283 -4.224 1.00 0.00 H new ATOM 422 N GLU A 28 -9.970 0.033 0.559 1.00 0.00 N ATOM 423 CA GLU A 28 -10.746 1.173 1.032 1.00 0.00 C ATOM 424 C GLU A 28 -9.884 2.431 1.094 1.00 0.00 C ATOM 425 O GLU A 28 -8.698 2.369 1.417 1.00 0.00 O ATOM 426 CB GLU A 28 -11.337 0.878 2.413 1.00 0.00 C ATOM 427 CG GLU A 28 -12.250 1.977 2.931 1.00 0.00 C ATOM 428 CD GLU A 28 -13.085 1.531 4.116 1.00 0.00 C ATOM 429 OE1 GLU A 28 -13.779 0.500 3.998 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.044 2.213 5.161 1.00 0.00 O ATOM 0 H GLU A 28 -8.970 0.212 0.469 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.558 1.345 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.896 -0.056 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.523 0.728 3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.648 2.839 3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.911 2.304 2.128 1.00 0.00 H new ATOM 437 N VAL A 29 -10.489 3.572 0.782 1.00 0.00 N ATOM 438 CA VAL A 29 -9.779 4.845 0.803 1.00 0.00 C ATOM 439 C VAL A 29 -10.532 5.882 1.629 1.00 0.00 C ATOM 440 O VAL A 29 -11.759 5.962 1.576 1.00 0.00 O ATOM 441 CB VAL A 29 -9.569 5.394 -0.621 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.702 6.643 -0.590 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.952 4.329 -1.516 1.00 0.00 C ATOM 0 H VAL A 29 -11.470 3.641 0.511 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.807 4.657 1.260 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.540 5.666 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.565 7.016 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.188 7.408 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.731 6.401 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.810 4.733 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.988 4.025 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.615 3.465 -1.564 1.00 0.00 H new ATOM 453 N VAL A 30 -9.788 6.676 2.393 1.00 0.00 N ATOM 454 CA VAL A 30 -10.385 7.710 3.230 1.00 0.00 C ATOM 455 C VAL A 30 -9.895 9.095 2.825 1.00 0.00 C ATOM 456 O VAL A 30 -8.780 9.494 3.160 1.00 0.00 O ATOM 457 CB VAL A 30 -10.065 7.480 4.719 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.701 8.564 5.575 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.532 6.100 5.157 1.00 0.00 C ATOM 0 H VAL A 30 -8.771 6.623 2.449 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.464 7.652 3.084 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.985 7.532 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.464 8.385 6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.313 9.538 5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.782 8.547 5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.298 5.954 6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.609 6.016 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.024 5.339 4.564 1.00 0.00 H new ATOM 469 N ASP A 31 -10.737 9.826 2.102 1.00 0.00 N ATOM 470 CA ASP A 31 -10.392 11.169 1.651 1.00 0.00 C ATOM 471 C ASP A 31 -10.609 12.188 2.765 1.00 0.00 C ATOM 472 O ASP A 31 -11.635 12.170 3.444 1.00 0.00 O ATOM 473 CB ASP A 31 -11.224 11.549 0.426 1.00 0.00 C ATOM 474 CG ASP A 31 -10.546 11.168 -0.876 1.00 0.00 C ATOM 475 OD1 ASP A 31 -9.816 10.155 -0.891 1.00 0.00 O ATOM 476 OD2 ASP A 31 -10.746 11.884 -1.880 1.00 0.00 O ATOM 0 H ASP A 31 -11.664 9.511 1.816 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.337 11.174 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.195 11.058 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.409 12.623 0.435 1.00 0.00 H new ATOM 481 N GLU A 32 -9.635 13.076 2.946 1.00 0.00 N ATOM 482 CA GLU A 32 -9.720 14.101 3.979 1.00 0.00 C ATOM 483 C GLU A 32 -9.672 15.497 3.365 1.00 0.00 C ATOM 484 O GLU A 32 -8.624 16.142 3.344 1.00 0.00 O ATOM 485 CB GLU A 32 -8.582 13.936 4.988 1.00 0.00 C ATOM 486 CG GLU A 32 -8.601 12.602 5.715 1.00 0.00 C ATOM 487 CD GLU A 32 -9.509 12.612 6.929 1.00 0.00 C ATOM 488 OE1 GLU A 32 -9.420 13.568 7.729 1.00 0.00 O ATOM 489 OE2 GLU A 32 -10.308 11.665 7.080 1.00 0.00 O ATOM 0 H GLU A 32 -8.780 13.105 2.391 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.673 13.982 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.629 14.044 4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.638 14.741 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.929 11.822 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.588 12.347 6.026 1.00 0.00 H new ATOM 686 N PHE A 46 -4.195 12.005 3.597 1.00 0.00 N ATOM 687 CA PHE A 46 -4.738 10.931 2.773 1.00 0.00 C ATOM 688 C PHE A 46 -4.256 9.570 3.267 1.00 0.00 C ATOM 689 O PHE A 46 -3.059 9.354 3.459 1.00 0.00 O ATOM 690 CB PHE A 46 -4.335 11.128 1.311 1.00 0.00 C ATOM 691 CG PHE A 46 -5.339 10.587 0.334 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.323 9.250 -0.029 1.00 0.00 C ATOM 693 CD2 PHE A 46 -6.300 11.417 -0.222 1.00 0.00 C ATOM 694 CE1 PHE A 46 -6.246 8.749 -0.927 1.00 0.00 C ATOM 695 CE2 PHE A 46 -7.226 10.921 -1.121 1.00 0.00 C ATOM 696 CZ PHE A 46 -7.199 9.586 -1.474 1.00 0.00 C ATOM 0 HA PHE A 46 -5.825 10.961 2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.193 12.192 1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.374 10.643 1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.580 8.591 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.326 12.462 0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.222 7.705 -1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.970 11.577 -1.547 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.922 9.197 -2.176 1.00 0.00 H new ATOM 706 N LYS A 47 -5.197 8.654 3.470 1.00 0.00 N ATOM 707 CA LYS A 47 -4.871 7.313 3.941 1.00 0.00 C ATOM 708 C LYS A 47 -5.561 6.254 3.086 1.00 0.00 C ATOM 709 O LYS A 47 -6.669 6.465 2.593 1.00 0.00 O ATOM 710 CB LYS A 47 -5.284 7.150 5.405 1.00 0.00 C ATOM 711 CG LYS A 47 -5.057 5.749 5.948 1.00 0.00 C ATOM 712 CD LYS A 47 -6.273 4.864 5.733 1.00 0.00 C ATOM 713 CE LYS A 47 -7.285 5.024 6.857 1.00 0.00 C ATOM 714 NZ LYS A 47 -6.983 4.127 8.007 1.00 0.00 N ATOM 0 H LYS A 47 -6.192 8.816 3.316 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.793 7.177 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.725 7.861 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.339 7.404 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.191 5.304 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.829 5.803 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.742 5.114 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.959 3.822 5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.290 6.060 7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.284 4.807 6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.695 4.266 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.003 3.137 7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.040 4.351 8.384 1.00 0.00 H new ATOM 728 N VAL A 48 -4.898 5.114 2.916 1.00 0.00 N ATOM 729 CA VAL A 48 -5.449 4.022 2.123 1.00 0.00 C ATOM 730 C VAL A 48 -5.317 2.691 2.855 1.00 0.00 C ATOM 731 O VAL A 48 -4.258 2.369 3.394 1.00 0.00 O ATOM 732 CB VAL A 48 -4.751 3.914 0.755 1.00 0.00 C ATOM 733 CG1 VAL A 48 -5.235 2.683 0.003 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.986 5.174 -0.064 1.00 0.00 C ATOM 0 H VAL A 48 -3.980 4.923 3.317 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.504 4.245 1.967 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.679 3.810 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.730 2.624 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.011 1.789 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.311 2.753 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.485 5.080 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.056 5.311 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.585 6.035 0.470 1.00 0.00 H new ATOM 744 N VAL A 49 -6.399 1.920 2.870 1.00 0.00 N ATOM 745 CA VAL A 49 -6.404 0.622 3.535 1.00 0.00 C ATOM 746 C VAL A 49 -6.384 -0.515 2.519 1.00 0.00 C ATOM 747 O VAL A 49 -7.211 -0.564 1.608 1.00 0.00 O ATOM 748 CB VAL A 49 -7.637 0.462 4.444 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.644 -0.912 5.098 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.671 1.561 5.494 1.00 0.00 C ATOM 0 H VAL A 49 -7.284 2.171 2.429 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.503 0.575 4.147 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.533 0.550 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.522 -1.007 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.671 -1.682 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.743 -1.033 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.549 1.432 6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.771 1.507 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.718 2.533 5.002 1.00 0.00 H new ATOM 760 N LEU A 50 -5.434 -1.430 2.683 1.00 0.00 N ATOM 761 CA LEU A 50 -5.306 -2.569 1.780 1.00 0.00 C ATOM 762 C LEU A 50 -4.754 -3.786 2.516 1.00 0.00 C ATOM 763 O LEU A 50 -3.642 -3.756 3.041 1.00 0.00 O ATOM 764 CB LEU A 50 -4.394 -2.213 0.605 1.00 0.00 C ATOM 765 CG LEU A 50 -4.252 -3.280 -0.481 1.00 0.00 C ATOM 766 CD1 LEU A 50 -4.001 -2.634 -1.835 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.130 -4.248 -0.134 1.00 0.00 C ATOM 0 H LEU A 50 -4.742 -1.405 3.432 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.298 -2.815 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.770 -1.300 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.402 -1.987 0.996 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.185 -3.841 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.903 -3.409 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.837 -1.982 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.083 -2.048 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.043 -5.000 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.191 -3.701 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.351 -4.736 0.815 1.00 0.00 H new ATOM 779 N VAL A 51 -5.540 -4.858 2.547 1.00 0.00 N ATOM 780 CA VAL A 51 -5.130 -6.088 3.215 1.00 0.00 C ATOM 781 C VAL A 51 -4.619 -7.114 2.210 1.00 0.00 C ATOM 782 O VAL A 51 -5.304 -7.445 1.242 1.00 0.00 O ATOM 783 CB VAL A 51 -6.290 -6.705 4.017 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.864 -8.023 4.645 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.779 -5.732 5.080 1.00 0.00 C ATOM 0 H VAL A 51 -6.464 -4.899 2.117 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.325 -5.823 3.901 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.115 -6.906 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.697 -8.444 5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.566 -8.720 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.023 -7.851 5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.599 -6.184 5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.962 -5.498 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.127 -4.816 4.602 1.00 0.00 H new ATOM 795 N SER A 52 -3.411 -7.616 2.447 1.00 0.00 N ATOM 796 CA SER A 52 -2.806 -8.604 1.561 1.00 0.00 C ATOM 797 C SER A 52 -1.753 -9.424 2.301 1.00 0.00 C ATOM 798 O SER A 52 -0.831 -8.873 2.901 1.00 0.00 O ATOM 799 CB SER A 52 -2.174 -7.915 0.350 1.00 0.00 C ATOM 800 OG SER A 52 -2.049 -8.812 -0.739 1.00 0.00 O ATOM 0 H SER A 52 -2.832 -7.355 3.245 1.00 0.00 H new ATOM 0 HA SER A 52 -3.591 -9.278 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.784 -7.061 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.192 -7.527 0.620 1.00 0.00 H new ATOM 0 HG SER A 52 -1.644 -8.347 -1.501 1.00 0.00 H new ATOM 806 N ASP A 53 -1.899 -10.744 2.251 1.00 0.00 N ATOM 807 CA ASP A 53 -0.961 -11.642 2.915 1.00 0.00 C ATOM 808 C ASP A 53 0.435 -11.512 2.312 1.00 0.00 C ATOM 809 O ASP A 53 1.439 -11.662 3.008 1.00 0.00 O ATOM 810 CB ASP A 53 -1.444 -13.089 2.807 1.00 0.00 C ATOM 811 CG ASP A 53 -0.781 -13.998 3.824 1.00 0.00 C ATOM 812 OD1 ASP A 53 -1.285 -14.080 4.963 1.00 0.00 O ATOM 813 OD2 ASP A 53 0.241 -14.627 3.479 1.00 0.00 O ATOM 0 H ASP A 53 -2.657 -11.215 1.758 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.910 -11.362 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.525 -13.120 2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.241 -13.463 1.803 1.00 0.00 H new ATOM 818 N ARG A 54 0.489 -11.234 1.013 1.00 0.00 N ATOM 819 CA ARG A 54 1.761 -11.086 0.316 1.00 0.00 C ATOM 820 C ARG A 54 2.709 -10.183 1.100 1.00 0.00 C ATOM 821 O ARG A 54 3.923 -10.220 0.902 1.00 0.00 O ATOM 822 CB ARG A 54 1.536 -10.514 -1.085 1.00 0.00 C ATOM 823 CG ARG A 54 0.612 -11.360 -1.946 1.00 0.00 C ATOM 824 CD ARG A 54 1.281 -12.657 -2.374 1.00 0.00 C ATOM 825 NE ARG A 54 0.705 -13.190 -3.605 1.00 0.00 N ATOM 826 CZ ARG A 54 1.332 -14.053 -4.396 1.00 0.00 C ATOM 827 NH1 ARG A 54 2.549 -14.478 -4.086 1.00 0.00 N ATOM 828 NH2 ARG A 54 0.742 -14.493 -5.500 1.00 0.00 N ATOM 0 H ARG A 54 -0.333 -11.107 0.423 1.00 0.00 H new ATOM 0 HA ARG A 54 2.216 -12.073 0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.119 -9.511 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.498 -10.416 -1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.299 -11.585 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.316 -10.794 -2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.348 -12.484 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.182 -13.395 -1.578 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.230 -12.883 -3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.006 -14.142 -3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.028 -15.141 -4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.194 -14.168 -5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.225 -15.156 -6.107 1.00 0.00 H new ATOM 842 N PHE A 55 2.145 -9.372 1.989 1.00 0.00 N ATOM 843 CA PHE A 55 2.940 -8.458 2.802 1.00 0.00 C ATOM 844 C PHE A 55 3.333 -9.109 4.125 1.00 0.00 C ATOM 845 O PHE A 55 3.302 -8.471 5.178 1.00 0.00 O ATOM 846 CB PHE A 55 2.160 -7.169 3.066 1.00 0.00 C ATOM 847 CG PHE A 55 1.761 -6.442 1.814 1.00 0.00 C ATOM 848 CD1 PHE A 55 2.715 -6.059 0.885 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.432 -6.141 1.566 1.00 0.00 C ATOM 850 CE1 PHE A 55 2.352 -5.391 -0.269 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.062 -5.473 0.414 1.00 0.00 C ATOM 852 CZ PHE A 55 1.023 -5.096 -0.504 1.00 0.00 C ATOM 0 H PHE A 55 1.141 -9.329 2.165 1.00 0.00 H new ATOM 0 HA PHE A 55 3.850 -8.218 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.264 -7.407 3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.767 -6.507 3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.756 -6.285 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.324 -6.432 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.106 -5.100 -0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.978 -5.246 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.736 -4.572 -1.404 1.00 0.00 H new ATOM 961 N ASN A 62 10.396 -2.798 1.855 1.00 0.00 N ATOM 962 CA ASN A 62 10.357 -3.875 0.872 1.00 0.00 C ATOM 963 C ASN A 62 8.955 -4.032 0.293 1.00 0.00 C ATOM 964 O ASN A 62 8.791 -4.338 -0.889 1.00 0.00 O ATOM 965 CB ASN A 62 10.809 -5.191 1.508 1.00 0.00 C ATOM 966 CG ASN A 62 12.308 -5.396 1.410 1.00 0.00 C ATOM 967 OD1 ASN A 62 13.058 -4.456 1.144 1.00 0.00 O ATOM 968 ND2 ASN A 62 12.752 -6.629 1.624 1.00 0.00 N ATOM 0 HA ASN A 62 11.039 -3.618 0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.511 -5.206 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.299 -6.021 1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.751 -6.828 1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.094 -7.377 1.842 1.00 0.00 H new ATOM 975 N ARG A 63 7.946 -3.819 1.132 1.00 0.00 N ATOM 976 CA ARG A 63 6.558 -3.938 0.704 1.00 0.00 C ATOM 977 C ARG A 63 6.017 -2.590 0.235 1.00 0.00 C ATOM 978 O ARG A 63 5.399 -2.493 -0.826 1.00 0.00 O ATOM 979 CB ARG A 63 5.694 -4.476 1.846 1.00 0.00 C ATOM 980 CG ARG A 63 5.700 -3.594 3.083 1.00 0.00 C ATOM 981 CD ARG A 63 5.401 -4.395 4.340 1.00 0.00 C ATOM 982 NE ARG A 63 3.967 -4.600 4.530 1.00 0.00 N ATOM 983 CZ ARG A 63 3.447 -5.231 5.577 1.00 0.00 C ATOM 984 NH1 ARG A 63 4.239 -5.715 6.524 1.00 0.00 N ATOM 985 NH2 ARG A 63 2.132 -5.378 5.679 1.00 0.00 N ATOM 0 H ARG A 63 8.064 -3.563 2.112 1.00 0.00 H new ATOM 0 HA ARG A 63 6.520 -4.637 -0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.668 -4.586 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.046 -5.471 2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.672 -3.110 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.959 -2.802 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.901 -5.362 4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.811 -3.876 5.207 1.00 0.00 H new ATOM 0 HE ARG A 63 3.330 -4.239 3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.250 -5.603 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.837 -6.199 7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.519 -5.006 4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.734 -5.863 6.483 1.00 0.00 H new ATOM 999 N HIS A 64 6.253 -1.553 1.032 1.00 0.00 N ATOM 1000 CA HIS A 64 5.789 -0.211 0.698 1.00 0.00 C ATOM 1001 C HIS A 64 6.221 0.178 -0.712 1.00 0.00 C ATOM 1002 O HIS A 64 5.388 0.489 -1.563 1.00 0.00 O ATOM 1003 CB HIS A 64 6.329 0.803 1.707 1.00 0.00 C ATOM 1004 CG HIS A 64 5.644 0.746 3.038 1.00 0.00 C ATOM 1005 ND1 HIS A 64 6.186 1.282 4.187 1.00 0.00 N ATOM 1006 CD2 HIS A 64 4.453 0.213 3.399 1.00 0.00 C ATOM 1007 CE1 HIS A 64 5.359 1.080 5.198 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.300 0.434 4.746 1.00 0.00 N ATOM 0 H HIS A 64 6.763 -1.616 1.913 1.00 0.00 H new ATOM 0 HA HIS A 64 4.700 -0.209 0.739 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.396 0.629 1.849 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.221 1.806 1.295 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.754 -0.292 2.749 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.522 1.390 6.220 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.498 0.146 5.306 1.00 0.00 H new ATOM 1017 N ARG A 65 7.528 0.158 -0.952 1.00 0.00 N ATOM 1018 CA ARG A 65 8.071 0.511 -2.259 1.00 0.00 C ATOM 1019 C ARG A 65 7.151 0.029 -3.377 1.00 0.00 C ATOM 1020 O ARG A 65 6.826 0.782 -4.294 1.00 0.00 O ATOM 1021 CB ARG A 65 9.466 -0.092 -2.435 1.00 0.00 C ATOM 1022 CG ARG A 65 9.484 -1.611 -2.380 1.00 0.00 C ATOM 1023 CD ARG A 65 10.900 -2.147 -2.240 1.00 0.00 C ATOM 1024 NE ARG A 65 10.946 -3.604 -2.327 1.00 0.00 N ATOM 1025 CZ ARG A 65 12.069 -4.296 -2.478 1.00 0.00 C ATOM 1026 NH1 ARG A 65 13.234 -3.667 -2.559 1.00 0.00 N ATOM 1027 NH2 ARG A 65 12.029 -5.620 -2.549 1.00 0.00 N ATOM 0 H ARG A 65 8.231 -0.099 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 65 8.143 1.597 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.875 0.233 -3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.122 0.299 -1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.880 -1.953 -1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.029 -2.014 -3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.529 -1.718 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.315 -1.828 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 65 10.067 -4.118 -2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.269 -2.649 -2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.095 -4.201 -2.675 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.135 -6.107 -2.488 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.892 -6.151 -2.665 1.00 0.00 H new ATOM 1041 N MET A 66 6.737 -1.231 -3.294 1.00 0.00 N ATOM 1042 CA MET A 66 5.855 -1.813 -4.298 1.00 0.00 C ATOM 1043 C MET A 66 4.663 -0.900 -4.569 1.00 0.00 C ATOM 1044 O MET A 66 4.455 -0.454 -5.698 1.00 0.00 O ATOM 1045 CB MET A 66 5.365 -3.189 -3.843 1.00 0.00 C ATOM 1046 CG MET A 66 6.484 -4.201 -3.659 1.00 0.00 C ATOM 1047 SD MET A 66 5.951 -5.893 -3.983 1.00 0.00 S ATOM 1048 CE MET A 66 5.587 -6.457 -2.322 1.00 0.00 C ATOM 0 H MET A 66 6.998 -1.868 -2.542 1.00 0.00 H new ATOM 0 HA MET A 66 6.422 -1.925 -5.222 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.825 -3.081 -2.902 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.655 -3.573 -4.575 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.309 -3.950 -4.326 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.866 -4.133 -2.640 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.002 -7.376 -2.370 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.519 -6.647 -1.790 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.018 -5.692 -1.794 1.00 0.00 H new ATOM 1058 N ILE A 67 3.883 -0.629 -3.528 1.00 0.00 N ATOM 1059 CA ILE A 67 2.713 0.231 -3.654 1.00 0.00 C ATOM 1060 C ILE A 67 3.025 1.465 -4.494 1.00 0.00 C ATOM 1061 O ILE A 67 2.427 1.679 -5.549 1.00 0.00 O ATOM 1062 CB ILE A 67 2.193 0.680 -2.276 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.792 -0.535 -1.437 1.00 0.00 C ATOM 1064 CG2 ILE A 67 1.016 1.631 -2.438 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.924 -1.524 -2.183 1.00 0.00 C ATOM 0 H ILE A 67 4.040 -0.993 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 67 1.941 -0.358 -4.150 1.00 0.00 H new ATOM 0 HB ILE A 67 2.993 1.208 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.693 -1.042 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.259 -0.194 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.660 1.940 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.332 2.509 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.212 1.127 -2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.678 -2.359 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.006 -1.032 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.462 -1.894 -3.056 1.00 0.00 H new ATOM 1077 N TYR A 68 3.967 2.273 -4.021 1.00 0.00 N ATOM 1078 CA TYR A 68 4.359 3.486 -4.727 1.00 0.00 C ATOM 1079 C TYR A 68 4.642 3.193 -6.198 1.00 0.00 C ATOM 1080 O TYR A 68 4.093 3.842 -7.088 1.00 0.00 O ATOM 1081 CB TYR A 68 5.595 4.106 -4.073 1.00 0.00 C ATOM 1082 CG TYR A 68 5.389 4.479 -2.622 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.272 5.201 -2.222 1.00 0.00 C ATOM 1084 CD2 TYR A 68 6.313 4.111 -1.652 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.080 5.545 -0.898 1.00 0.00 C ATOM 1086 CE2 TYR A 68 6.128 4.449 -0.325 1.00 0.00 C ATOM 1087 CZ TYR A 68 5.010 5.166 0.047 1.00 0.00 C ATOM 1088 OH TYR A 68 4.823 5.506 1.367 1.00 0.00 O ATOM 0 H TYR A 68 4.473 2.109 -3.151 1.00 0.00 H new ATOM 0 HA TYR A 68 3.532 4.193 -4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.425 3.403 -4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.883 4.997 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.541 5.499 -2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.191 3.551 -1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.206 6.108 -0.605 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.855 4.153 0.417 1.00 0.00 H new ATOM 0 HH TYR A 68 5.568 5.162 1.902 1.00 0.00 H new ATOM 1098 N SER A 69 5.502 2.210 -6.444 1.00 0.00 N ATOM 1099 CA SER A 69 5.861 1.832 -7.806 1.00 0.00 C ATOM 1100 C SER A 69 4.645 1.895 -8.725 1.00 0.00 C ATOM 1101 O SER A 69 4.735 2.357 -9.863 1.00 0.00 O ATOM 1102 CB SER A 69 6.457 0.423 -7.825 1.00 0.00 C ATOM 1103 OG SER A 69 7.015 0.123 -9.093 1.00 0.00 O ATOM 0 H SER A 69 5.963 1.661 -5.718 1.00 0.00 H new ATOM 0 HA SER A 69 6.606 2.539 -8.170 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.226 0.339 -7.057 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.684 -0.306 -7.583 1.00 0.00 H new ATOM 0 HG SER A 69 7.391 -0.782 -9.079 1.00 0.00 H new ATOM 1109 N THR A 70 3.507 1.425 -8.224 1.00 0.00 N ATOM 1110 CA THR A 70 2.273 1.426 -8.999 1.00 0.00 C ATOM 1111 C THR A 70 1.793 2.848 -9.268 1.00 0.00 C ATOM 1112 O THR A 70 1.466 3.200 -10.402 1.00 0.00 O ATOM 1113 CB THR A 70 1.156 0.648 -8.278 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.597 -0.683 -7.985 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.103 0.594 -9.131 1.00 0.00 C ATOM 0 H THR A 70 3.415 1.039 -7.285 1.00 0.00 H new ATOM 0 HA THR A 70 2.495 0.935 -9.946 1.00 0.00 H new ATOM 0 HB THR A 70 0.924 1.167 -7.348 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.882 -1.171 -7.525 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.878 0.040 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.452 1.607 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.118 0.096 -10.075 1.00 0.00 H new ATOM 1123 N LEU A 71 1.754 3.662 -8.219 1.00 0.00 N ATOM 1124 CA LEU A 71 1.315 5.048 -8.342 1.00 0.00 C ATOM 1125 C LEU A 71 2.490 6.008 -8.184 1.00 0.00 C ATOM 1126 O LEU A 71 2.369 7.054 -7.548 1.00 0.00 O ATOM 1127 CB LEU A 71 0.244 5.359 -7.295 1.00 0.00 C ATOM 1128 CG LEU A 71 -0.915 4.366 -7.205 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.538 4.396 -5.818 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -1.961 4.668 -8.268 1.00 0.00 C ATOM 0 H LEU A 71 2.021 3.387 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 71 0.892 5.182 -9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.725 5.415 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.166 6.347 -7.506 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.524 3.364 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.361 3.683 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.786 4.129 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.914 5.398 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.778 3.951 -8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.348 5.677 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.508 4.593 -9.256 1.00 0.00 H new ATOM 1142 N ALA A 72 3.627 5.645 -8.770 1.00 0.00 N ATOM 1143 CA ALA A 72 4.822 6.475 -8.698 1.00 0.00 C ATOM 1144 C ALA A 72 4.494 7.936 -8.989 1.00 0.00 C ATOM 1145 O ALA A 72 4.760 8.815 -8.171 1.00 0.00 O ATOM 1146 CB ALA A 72 5.878 5.966 -9.668 1.00 0.00 C ATOM 0 H ALA A 72 3.745 4.781 -9.300 1.00 0.00 H new ATOM 0 HA ALA A 72 5.216 6.413 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.765 6.596 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.142 4.940 -9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.484 5.997 -10.684 1.00 0.00 H new ATOM 1152 N GLU A 73 3.916 8.186 -10.160 1.00 0.00 N ATOM 1153 CA GLU A 73 3.554 9.541 -10.558 1.00 0.00 C ATOM 1154 C GLU A 73 2.122 9.865 -10.144 1.00 0.00 C ATOM 1155 O GLU A 73 1.846 10.944 -9.620 1.00 0.00 O ATOM 1156 CB GLU A 73 3.710 9.711 -12.071 1.00 0.00 C ATOM 1157 CG GLU A 73 5.120 9.444 -12.571 1.00 0.00 C ATOM 1158 CD GLU A 73 6.110 10.496 -12.112 1.00 0.00 C ATOM 1159 OE1 GLU A 73 5.730 11.684 -12.057 1.00 0.00 O ATOM 1160 OE2 GLU A 73 7.265 10.132 -11.808 1.00 0.00 O ATOM 0 H GLU A 73 3.689 7.469 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 73 4.226 10.233 -10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.020 9.036 -12.577 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.422 10.726 -12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.447 8.465 -12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.114 9.406 -13.660 1.00 0.00 H new ATOM 1167 N GLU A 74 1.215 8.923 -10.383 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.189 9.109 -10.036 1.00 0.00 C ATOM 1169 C GLU A 74 -0.329 9.749 -8.657 1.00 0.00 C ATOM 1170 O GLU A 74 -1.095 10.695 -8.474 1.00 0.00 O ATOM 1171 CB GLU A 74 -0.927 7.769 -10.066 1.00 0.00 C ATOM 1172 CG GLU A 74 -0.903 7.092 -11.426 1.00 0.00 C ATOM 1173 CD GLU A 74 -2.030 6.092 -11.599 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.048 6.215 -10.888 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -1.892 5.186 -12.448 1.00 0.00 O ATOM 0 H GLU A 74 1.427 8.024 -10.815 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.633 9.777 -10.774 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.481 7.101 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.963 7.927 -9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.972 7.850 -12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.052 6.584 -11.558 1.00 0.00 H new ATOM 1182 N LEU A 75 0.416 9.224 -7.691 1.00 0.00 N ATOM 1183 CA LEU A 75 0.376 9.742 -6.328 1.00 0.00 C ATOM 1184 C LEU A 75 1.109 11.077 -6.230 1.00 0.00 C ATOM 1185 O LEU A 75 0.845 11.878 -5.334 1.00 0.00 O ATOM 1186 CB LEU A 75 0.999 8.734 -5.359 1.00 0.00 C ATOM 1187 CG LEU A 75 2.526 8.679 -5.338 1.00 0.00 C ATOM 1188 CD1 LEU A 75 3.085 9.731 -4.393 1.00 0.00 C ATOM 1189 CD2 LEU A 75 3.005 7.291 -4.938 1.00 0.00 C ATOM 0 H LEU A 75 1.055 8.440 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.668 9.900 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.650 8.964 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.623 7.741 -5.607 1.00 0.00 H new ATOM 0 HG LEU A 75 2.892 8.892 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.174 9.677 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.772 10.721 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.711 9.550 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.095 7.271 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.629 7.049 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.635 6.558 -5.655 1.00 0.00 H new ATOM 1201 N SER A 76 2.029 11.310 -7.161 1.00 0.00 N ATOM 1202 CA SER A 76 2.801 12.547 -7.179 1.00 0.00 C ATOM 1203 C SER A 76 2.087 13.621 -7.993 1.00 0.00 C ATOM 1204 O SER A 76 2.689 14.618 -8.393 1.00 0.00 O ATOM 1205 CB SER A 76 4.195 12.294 -7.759 1.00 0.00 C ATOM 1206 OG SER A 76 5.047 13.405 -7.539 1.00 0.00 O ATOM 0 H SER A 76 2.258 10.659 -7.912 1.00 0.00 H new ATOM 0 HA SER A 76 2.900 12.900 -6.152 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.627 11.404 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.117 12.097 -8.828 1.00 0.00 H new ATOM 0 HG SER A 76 4.571 14.232 -7.763 1.00 0.00 H new ATOM 1212 N THR A 77 0.796 13.411 -8.235 1.00 0.00 N ATOM 1213 CA THR A 77 -0.002 14.359 -9.001 1.00 0.00 C ATOM 1214 C THR A 77 -0.616 15.420 -8.094 1.00 0.00 C ATOM 1215 O THR A 77 -0.360 16.614 -8.255 1.00 0.00 O ATOM 1216 CB THR A 77 -1.127 13.649 -9.776 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.575 12.632 -10.620 1.00 0.00 O ATOM 1218 CG2 THR A 77 -1.914 14.641 -10.619 1.00 0.00 C ATOM 0 H THR A 77 0.282 12.592 -7.911 1.00 0.00 H new ATOM 0 HA THR A 77 0.672 14.838 -9.711 1.00 0.00 H new ATOM 0 HB THR A 77 -1.803 13.193 -9.053 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.571 11.777 -10.142 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.703 14.116 -11.157 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.358 15.397 -9.971 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.246 15.122 -11.333 1.00 0.00 H new ATOM 1226 N THR A 78 -1.429 14.977 -7.140 1.00 0.00 N ATOM 1227 CA THR A 78 -2.081 15.889 -6.208 1.00 0.00 C ATOM 1228 C THR A 78 -1.824 15.473 -4.763 1.00 0.00 C ATOM 1229 O THR A 78 -1.606 16.317 -3.894 1.00 0.00 O ATOM 1230 CB THR A 78 -3.601 15.949 -6.450 1.00 0.00 C ATOM 1231 OG1 THR A 78 -4.204 16.882 -5.548 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.233 14.577 -6.267 1.00 0.00 C ATOM 0 H THR A 78 -1.652 13.993 -6.992 1.00 0.00 H new ATOM 0 HA THR A 78 -1.654 16.877 -6.381 1.00 0.00 H new ATOM 0 HB THR A 78 -3.771 16.275 -7.476 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.170 16.915 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.307 14.645 -6.443 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.792 13.876 -6.976 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.053 14.226 -5.251 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.851 14.168 -4.514 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.620 13.641 -3.174 1.00 0.00 C ATOM 1242 C VAL A 79 -0.180 13.876 -2.732 1.00 0.00 C ATOM 1243 O VAL A 79 0.758 13.343 -3.326 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.927 12.133 -3.104 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.601 11.586 -1.723 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.381 11.869 -3.462 1.00 0.00 C ATOM 0 H VAL A 79 -2.030 13.456 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.294 14.174 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.299 11.617 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.824 10.520 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.543 11.742 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.202 12.104 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.581 10.799 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.029 12.395 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.577 12.223 -4.474 1.00 0.00 H new ATOM 1256 N HIS A 80 -0.011 14.678 -1.686 1.00 0.00 N ATOM 1257 CA HIS A 80 1.315 14.984 -1.162 1.00 0.00 C ATOM 1258 C HIS A 80 1.791 13.888 -0.213 1.00 0.00 C ATOM 1259 O HIS A 80 2.783 13.211 -0.479 1.00 0.00 O ATOM 1260 CB HIS A 80 1.304 16.331 -0.440 1.00 0.00 C ATOM 1261 CG HIS A 80 2.641 17.006 -0.408 1.00 0.00 C ATOM 1262 ND1 HIS A 80 2.919 18.158 -1.113 1.00 0.00 N ATOM 1263 CD2 HIS A 80 3.779 16.684 0.250 1.00 0.00 C ATOM 1264 CE1 HIS A 80 4.171 18.515 -0.891 1.00 0.00 C ATOM 1265 NE2 HIS A 80 4.715 17.638 -0.067 1.00 0.00 N ATOM 0 H HIS A 80 -0.776 15.128 -1.184 1.00 0.00 H new ATOM 0 HA HIS A 80 2.007 15.037 -2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.586 16.989 -0.928 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.957 16.183 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.924 15.836 0.902 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.666 19.378 -1.312 1.00 0.00 H new ATOM 0 HE2 HIS A 80 5.675 17.665 0.278 1.00 0.00 H new ATOM 1274 N ALA A 81 1.076 13.720 0.895 1.00 0.00 N ATOM 1275 CA ALA A 81 1.424 12.707 1.882 1.00 0.00 C ATOM 1276 C ALA A 81 0.381 11.595 1.919 1.00 0.00 C ATOM 1277 O ALA A 81 -0.822 11.858 1.920 1.00 0.00 O ATOM 1278 CB ALA A 81 1.573 13.339 3.258 1.00 0.00 C ATOM 0 H ALA A 81 0.252 14.273 1.131 1.00 0.00 H new ATOM 0 HA ALA A 81 2.378 12.266 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.833 12.570 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.360 14.092 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.632 13.808 3.547 1.00 0.00 H new ATOM 1284 N LEU A 82 0.849 10.352 1.949 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.044 9.199 1.985 1.00 0.00 C ATOM 1286 C LEU A 82 0.416 8.186 3.029 1.00 0.00 C ATOM 1287 O LEU A 82 1.614 7.990 3.231 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.110 8.536 0.608 1.00 0.00 C ATOM 1289 CG LEU A 82 -0.911 7.236 0.526 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.366 7.482 0.894 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -0.806 6.632 -0.866 1.00 0.00 C ATOM 0 H LEU A 82 1.842 10.117 1.949 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.039 9.550 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.540 9.249 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.908 8.333 0.275 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.492 6.527 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.921 6.546 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.424 7.869 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.798 8.207 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.382 5.708 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.199 7.337 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.239 6.419 -1.092 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.544 7.544 3.686 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.237 6.548 4.705 1.00 0.00 C ATOM 1305 C ALA A 83 -0.793 5.181 4.322 1.00 0.00 C ATOM 1306 O ALA A 83 -2.000 4.945 4.402 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.789 6.985 6.054 1.00 0.00 C ATOM 0 H ALA A 83 -1.541 7.696 3.531 1.00 0.00 H new ATOM 0 HA ALA A 83 0.847 6.463 4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.552 6.232 6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.340 7.936 6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.871 7.101 5.984 1.00 0.00 H new ATOM 1313 N LEU A 84 0.092 4.283 3.904 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.311 2.938 3.508 1.00 0.00 C ATOM 1315 C LEU A 84 -0.448 2.029 4.725 1.00 0.00 C ATOM 1316 O LEU A 84 0.466 1.929 5.544 1.00 0.00 O ATOM 1317 CB LEU A 84 0.705 2.348 2.528 1.00 0.00 C ATOM 1318 CG LEU A 84 0.980 3.171 1.270 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.176 2.611 0.516 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.249 3.204 0.374 1.00 0.00 C ATOM 0 H LEU A 84 1.094 4.462 3.830 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.282 3.006 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.647 2.203 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.355 1.362 2.223 1.00 0.00 H new ATOM 0 HG LEU A 84 1.212 4.192 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.356 3.210 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.057 2.641 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.973 1.580 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.034 3.795 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.513 2.188 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.082 3.653 0.915 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.595 1.367 4.837 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.851 0.464 5.953 1.00 0.00 C ATOM 1334 C HIS A 85 -2.017 -0.971 5.463 1.00 0.00 C ATOM 1335 O HIS A 85 -3.134 -1.478 5.359 1.00 0.00 O ATOM 1336 CB HIS A 85 -3.101 0.903 6.716 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.851 2.014 7.688 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -2.278 1.816 8.926 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.098 3.342 7.598 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -2.185 2.973 9.556 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.675 3.916 8.771 1.00 0.00 N ATOM 0 H HIS A 85 -2.362 1.439 4.168 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.993 0.503 6.624 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.860 1.221 6.001 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.508 0.046 7.253 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.545 3.855 6.759 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.778 3.123 10.545 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.730 4.909 8.999 1.00 0.00 H new ATOM 1350 N THR A 86 -0.897 -1.622 5.163 1.00 0.00 N ATOM 1351 CA THR A 86 -0.918 -2.998 4.683 1.00 0.00 C ATOM 1352 C THR A 86 -0.986 -3.985 5.843 1.00 0.00 C ATOM 1353 O THR A 86 -0.014 -4.163 6.577 1.00 0.00 O ATOM 1354 CB THR A 86 0.323 -3.314 3.827 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.512 -3.147 4.609 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.383 -2.409 2.606 1.00 0.00 C ATOM 0 H THR A 86 0.036 -1.218 5.244 1.00 0.00 H new ATOM 0 HA THR A 86 -1.811 -3.103 4.067 1.00 0.00 H new ATOM 0 HB THR A 86 0.251 -4.348 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.289 -3.214 5.561 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.268 -2.651 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.509 -2.558 1.998 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.434 -1.368 2.927 1.00 0.00 H new ATOM 1364 N TYR A 87 -2.140 -4.624 6.003 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.335 -5.592 7.075 1.00 0.00 C ATOM 1366 C TYR A 87 -2.453 -7.007 6.517 1.00 0.00 C ATOM 1367 O TYR A 87 -2.776 -7.201 5.345 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.586 -5.244 7.883 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.329 -4.266 9.007 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.604 -3.101 8.788 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.809 -4.507 10.288 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.365 -2.205 9.812 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -3.577 -3.616 11.318 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.854 -2.466 11.075 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.620 -1.576 12.098 1.00 0.00 O ATOM 0 H TYR A 87 -2.954 -4.489 5.404 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.465 -5.551 7.730 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.336 -4.825 7.213 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.006 -6.160 8.299 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.221 -2.892 7.800 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.374 -5.407 10.482 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.798 -1.305 9.625 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.959 -3.818 12.308 1.00 0.00 H new ATOM 0 HH TYR A 87 -3.033 -1.909 12.922 1.00 0.00 H new ATOM 1385 N THR A 88 -2.190 -7.995 7.367 1.00 0.00 N ATOM 1386 CA THR A 88 -2.266 -9.393 6.961 1.00 0.00 C ATOM 1387 C THR A 88 -3.540 -10.048 7.481 1.00 0.00 C ATOM 1388 O THR A 88 -3.964 -9.794 8.609 1.00 0.00 O ATOM 1389 CB THR A 88 -1.049 -10.191 7.464 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.675 -9.741 8.772 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.129 -10.039 6.514 1.00 0.00 C ATOM 0 H THR A 88 -1.922 -7.853 8.341 1.00 0.00 H new ATOM 0 HA THR A 88 -2.274 -9.406 5.871 1.00 0.00 H new ATOM 0 HB THR A 88 -1.326 -11.244 7.507 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.099 -10.254 9.086 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.976 -10.612 6.891 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.149 -10.409 5.527 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.405 -8.987 6.442 1.00 0.00 H new ATOM 1399 N ILE A 89 -4.146 -10.892 6.653 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.372 -11.585 7.032 1.00 0.00 C ATOM 1401 C ILE A 89 -5.288 -12.109 8.462 1.00 0.00 C ATOM 1402 O ILE A 89 -6.247 -12.013 9.227 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.669 -12.762 6.083 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.852 -12.256 4.650 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.907 -13.515 6.546 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -4.567 -12.223 3.853 1.00 0.00 C ATOM 0 H ILE A 89 -3.809 -11.113 5.716 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.181 -10.858 6.961 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.822 -13.448 6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.572 -12.894 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.278 -11.253 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.104 -14.344 5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.743 -13.902 7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.762 -12.839 6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.772 -11.854 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.852 -11.562 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.150 -13.228 3.793 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.133 -12.662 8.817 1.00 0.00 N ATOM 1419 CA LYS A 90 -3.920 -13.198 10.156 1.00 0.00 C ATOM 1420 C LYS A 90 -4.037 -12.099 11.207 1.00 0.00 C ATOM 1421 O LYS A 90 -4.809 -12.218 12.158 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.545 -13.863 10.249 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.551 -15.330 9.853 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.754 -15.503 8.357 1.00 0.00 C ATOM 1425 CE LYS A 90 -2.805 -16.972 7.968 1.00 0.00 C ATOM 1426 NZ LYS A 90 -2.605 -17.165 6.504 1.00 0.00 N ATOM 0 H LYS A 90 -3.329 -12.751 8.195 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.691 -13.944 10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.846 -13.325 9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.175 -13.772 11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.609 -15.792 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.344 -15.850 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.680 -15.013 8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.943 -15.011 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.037 -17.519 8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.767 -17.392 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.647 -18.179 6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.352 -16.664 5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.676 -16.787 6.228 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.267 -11.030 11.027 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.286 -9.910 11.961 1.00 0.00 C ATOM 1442 C GLU A 91 -4.694 -9.335 12.092 1.00 0.00 C ATOM 1443 O GLU A 91 -5.199 -9.149 13.199 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.318 -8.819 11.503 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.877 -9.072 11.911 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.671 -8.984 13.411 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -0.618 -7.853 13.938 1.00 0.00 O ATOM 1448 OE2 GLU A 91 -0.565 -10.047 14.058 1.00 0.00 O ATOM 0 H GLU A 91 -2.623 -10.916 10.244 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.970 -10.278 12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.369 -8.732 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.641 -7.863 11.915 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.573 -10.059 11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.231 -8.347 11.416 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.320 -9.055 10.955 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.668 -8.500 10.942 1.00 0.00 C ATOM 1457 C TRP A 92 -7.653 -9.446 11.620 1.00 0.00 C ATOM 1458 O TRP A 92 -8.487 -9.019 12.418 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.115 -8.224 9.505 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.205 -7.201 9.407 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.399 -7.334 8.757 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -8.202 -5.888 9.977 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -10.137 -6.183 8.888 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.425 -5.281 9.633 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.285 -5.166 10.747 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.752 -3.987 10.031 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.611 -3.883 11.141 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.836 -3.304 10.784 1.00 0.00 C ATOM 0 H TRP A 92 -4.916 -9.203 10.030 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.653 -7.562 11.497 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.257 -7.886 8.924 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.459 -9.155 9.054 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.716 -8.215 8.219 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -11.065 -6.026 8.494 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.339 -5.604 11.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.695 -3.539 9.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.909 -3.316 11.735 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -9.062 -2.299 11.109 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.550 -10.732 11.297 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.434 -11.737 11.877 1.00 0.00 C ATOM 1481 C GLU A 93 -8.642 -11.484 13.367 1.00 0.00 C ATOM 1482 O GLU A 93 -9.745 -11.644 13.887 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.859 -13.138 11.661 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.271 -13.769 10.342 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.627 -14.443 10.416 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -9.721 -15.517 11.047 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -10.593 -13.897 9.844 1.00 0.00 O ATOM 0 H GLU A 93 -6.865 -11.102 10.638 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.400 -11.667 11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.771 -13.086 11.705 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.180 -13.783 12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.292 -13.002 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.521 -14.502 10.044 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.572 -11.088 14.050 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.657 -10.820 15.473 1.00 0.00 C ATOM 1496 C GLY A 94 -6.695 -9.736 15.918 1.00 0.00 C ATOM 1497 O GLY A 94 -5.989 -9.892 16.915 1.00 0.00 O ATOM 0 H GLY A 94 -6.648 -10.948 13.642 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.675 -10.523 15.723 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.448 -11.736 16.025 1.00 0.00 H new