USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 415 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 133:sc= 0.037 USER MOD Single : A 13 THR OG1 : rot 128:sc= 1.22 USER MOD Single : A 15 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.039) USER MOD Single : A 17 TYR OH : rot 30:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 42:sc= 0.778 USER MOD Single : A 20 GLN : amide:sc= -3.96! X(o=-4!,f=-4.3) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -139:sc= -0.0818 (180deg=-1.38!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -62:sc= 0.322 USER MOD Single : A 48 TYR OH : rot 120:sc= 0.93 USER MOD Single : A 51 LYS NZ :NH3+ -117:sc= -1.34 (180deg=-4.6!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= -0.0134 (180deg=-0.177) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0143) USER MOD ----------------------------------------------------------------- ATOM 81 N GLU A 9 4.148 8.207 2.575 1.00 0.00 N ATOM 82 CA GLU A 9 5.082 7.184 2.120 1.00 0.00 C ATOM 83 C GLU A 9 4.428 6.272 1.086 1.00 0.00 C ATOM 84 O GLU A 9 3.264 5.895 1.221 1.00 0.00 O ATOM 85 CB GLU A 9 5.580 6.355 3.305 1.00 0.00 C ATOM 86 CG GLU A 9 6.505 7.119 4.238 1.00 0.00 C ATOM 87 CD GLU A 9 6.978 6.280 5.408 1.00 0.00 C ATOM 88 OE1 GLU A 9 7.441 5.144 5.176 1.00 0.00 O ATOM 89 OE2 GLU A 9 6.885 6.759 6.557 1.00 0.00 O ATOM 0 HA GLU A 9 5.931 7.684 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.721 5.996 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.103 5.476 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.370 7.473 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.987 8.001 4.614 1.00 0.00 H new ATOM 96 N LYS A 10 5.186 5.922 0.052 1.00 0.00 N ATOM 97 CA LYS A 10 4.683 5.053 -1.006 1.00 0.00 C ATOM 98 C LYS A 10 5.454 3.737 -1.041 1.00 0.00 C ATOM 99 O LYS A 10 6.683 3.727 -1.091 1.00 0.00 O ATOM 100 CB LYS A 10 4.789 5.755 -2.362 1.00 0.00 C ATOM 101 CG LYS A 10 3.800 6.894 -2.536 1.00 0.00 C ATOM 102 CD LYS A 10 3.399 7.067 -3.992 1.00 0.00 C ATOM 103 CE LYS A 10 2.199 6.203 -4.346 1.00 0.00 C ATOM 104 NZ LYS A 10 1.893 6.250 -5.803 1.00 0.00 N ATOM 0 H LYS A 10 6.151 6.227 -0.076 1.00 0.00 H new ATOM 0 HA LYS A 10 3.636 4.835 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.801 6.142 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.630 5.023 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.912 6.701 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.241 7.820 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.164 8.114 -4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.239 6.806 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.393 5.172 -4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.330 6.540 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.069 5.648 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.683 7.230 -6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.713 5.905 -6.341 1.00 0.00 H new ATOM 118 N TYR A 11 4.723 2.628 -1.016 1.00 0.00 N ATOM 119 CA TYR A 11 5.337 1.307 -1.044 1.00 0.00 C ATOM 120 C TYR A 11 5.062 0.606 -2.372 1.00 0.00 C ATOM 121 O TYR A 11 4.360 1.136 -3.234 1.00 0.00 O ATOM 122 CB TYR A 11 4.816 0.454 0.112 1.00 0.00 C ATOM 123 CG TYR A 11 5.525 0.713 1.423 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.720 2.008 1.886 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.001 -0.338 2.198 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.368 2.250 3.082 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.649 -0.105 3.395 1.00 0.00 C ATOM 128 CZ TYR A 11 6.830 1.190 3.833 1.00 0.00 C ATOM 129 OH TYR A 11 7.476 1.424 5.026 1.00 0.00 O ATOM 0 H TYR A 11 3.704 2.618 -0.976 1.00 0.00 H new ATOM 0 HA TYR A 11 6.414 1.434 -0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.750 0.644 0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.923 -0.599 -0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.359 2.841 1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.862 -1.354 1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.512 3.263 3.427 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.012 -0.933 3.985 1.00 0.00 H new ATOM 0 HH TYR A 11 7.109 0.834 5.718 1.00 0.00 H new ATOM 139 N VAL A 12 5.619 -0.591 -2.528 1.00 0.00 N ATOM 140 CA VAL A 12 5.433 -1.367 -3.749 1.00 0.00 C ATOM 141 C VAL A 12 4.911 -2.765 -3.437 1.00 0.00 C ATOM 142 O VAL A 12 5.470 -3.476 -2.602 1.00 0.00 O ATOM 143 CB VAL A 12 6.747 -1.486 -4.543 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.547 -2.352 -5.778 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.265 -0.108 -4.926 1.00 0.00 C ATOM 0 H VAL A 12 6.202 -1.044 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 12 4.699 -0.835 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 12 7.493 -1.965 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.486 -2.425 -6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.225 -3.348 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.787 -1.904 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.194 -0.211 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.524 0.401 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.449 0.475 -4.024 1.00 0.00 H new ATOM 155 N THR A 13 3.835 -3.154 -4.114 1.00 0.00 N ATOM 156 CA THR A 13 3.237 -4.467 -3.909 1.00 0.00 C ATOM 157 C THR A 13 3.976 -5.538 -4.702 1.00 0.00 C ATOM 158 O THR A 13 3.944 -5.547 -5.933 1.00 0.00 O ATOM 159 CB THR A 13 1.752 -4.477 -4.317 1.00 0.00 C ATOM 160 OG1 THR A 13 1.626 -4.217 -5.720 1.00 0.00 O ATOM 161 CG2 THR A 13 0.967 -3.437 -3.531 1.00 0.00 C ATOM 0 H THR A 13 3.360 -2.578 -4.809 1.00 0.00 H new ATOM 0 HA THR A 13 3.316 -4.687 -2.844 1.00 0.00 H new ATOM 0 HB THR A 13 1.344 -5.463 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.070 -4.911 -6.133 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.079 -3.463 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.039 -3.655 -2.466 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.378 -2.447 -3.727 1.00 0.00 H new ATOM 169 N VAL A 14 4.644 -6.441 -3.989 1.00 0.00 N ATOM 170 CA VAL A 14 5.391 -7.519 -4.627 1.00 0.00 C ATOM 171 C VAL A 14 4.488 -8.709 -4.930 1.00 0.00 C ATOM 172 O VAL A 14 4.874 -9.624 -5.656 1.00 0.00 O ATOM 173 CB VAL A 14 6.562 -7.988 -3.745 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.687 -6.965 -3.762 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.088 -8.246 -2.323 1.00 0.00 C ATOM 0 H VAL A 14 4.683 -6.447 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 14 5.787 -7.120 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 14 6.947 -8.923 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.506 -7.314 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.044 -6.834 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.318 -6.012 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.929 -8.577 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.676 -7.328 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.319 -9.019 -2.330 1.00 0.00 H new ATOM 185 N GLN A 15 3.283 -8.690 -4.367 1.00 0.00 N ATOM 186 CA GLN A 15 2.325 -9.769 -4.577 1.00 0.00 C ATOM 187 C GLN A 15 0.901 -9.227 -4.644 1.00 0.00 C ATOM 188 O GLN A 15 0.542 -8.269 -3.958 1.00 0.00 O ATOM 189 CB GLN A 15 2.437 -10.803 -3.456 1.00 0.00 C ATOM 190 CG GLN A 15 3.567 -11.800 -3.659 1.00 0.00 C ATOM 191 CD GLN A 15 3.163 -12.971 -4.534 1.00 0.00 C ATOM 192 OE1 GLN A 15 2.315 -13.779 -4.156 1.00 0.00 O ATOM 193 NE2 GLN A 15 3.769 -13.066 -5.712 1.00 0.00 N ATOM 0 H GLN A 15 2.948 -7.940 -3.763 1.00 0.00 H new ATOM 0 HA GLN A 15 2.557 -10.248 -5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.586 -10.285 -2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.495 -11.345 -3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.419 -11.291 -4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.896 -12.173 -2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.466 -12.373 -5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.537 -13.832 -6.345 1.00 0.00 H new ATOM 202 N PRO A 16 0.069 -9.851 -5.491 1.00 0.00 N ATOM 203 CA PRO A 16 -1.329 -9.448 -5.668 1.00 0.00 C ATOM 204 C PRO A 16 -2.182 -9.762 -4.443 1.00 0.00 C ATOM 205 O PRO A 16 -1.845 -10.641 -3.649 1.00 0.00 O ATOM 206 CB PRO A 16 -1.789 -10.280 -6.867 1.00 0.00 C ATOM 207 CG PRO A 16 -0.897 -11.474 -6.864 1.00 0.00 C ATOM 208 CD PRO A 16 0.429 -10.999 -6.340 1.00 0.00 C ATOM 0 HA PRO A 16 -1.428 -8.373 -5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.836 -10.568 -6.771 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.697 -9.719 -7.797 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.305 -12.264 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.795 -11.887 -7.867 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.938 -11.776 -5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.099 -10.706 -7.148 1.00 0.00 H new ATOM 216 N TYR A 17 -3.287 -9.040 -4.297 1.00 0.00 N ATOM 217 CA TYR A 17 -4.188 -9.240 -3.168 1.00 0.00 C ATOM 218 C TYR A 17 -5.639 -9.299 -3.632 1.00 0.00 C ATOM 219 O TYR A 17 -6.038 -8.589 -4.557 1.00 0.00 O ATOM 220 CB TYR A 17 -4.013 -8.118 -2.144 1.00 0.00 C ATOM 221 CG TYR A 17 -4.753 -8.359 -0.848 1.00 0.00 C ATOM 222 CD1 TYR A 17 -4.160 -9.067 0.192 1.00 0.00 C ATOM 223 CD2 TYR A 17 -6.044 -7.881 -0.662 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.833 -9.291 1.378 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.724 -8.099 0.520 1.00 0.00 C ATOM 226 CZ TYR A 17 -6.114 -8.805 1.537 1.00 0.00 C ATOM 227 OH TYR A 17 -6.787 -9.025 2.717 1.00 0.00 O ATOM 0 H TYR A 17 -3.581 -8.310 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.937 -10.192 -2.700 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.951 -7.996 -1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.359 -7.181 -2.581 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.157 -9.448 0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.525 -7.329 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.359 -9.843 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.727 -7.719 0.648 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.144 -9.083 3.454 1.00 0.00 H new ATOM 237 N THR A 18 -6.428 -10.149 -2.983 1.00 0.00 N ATOM 238 CA THR A 18 -7.836 -10.303 -3.329 1.00 0.00 C ATOM 239 C THR A 18 -8.734 -9.677 -2.267 1.00 0.00 C ATOM 240 O THR A 18 -8.845 -10.191 -1.154 1.00 0.00 O ATOM 241 CB THR A 18 -8.215 -11.785 -3.496 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.409 -12.385 -4.516 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.686 -11.931 -3.854 1.00 0.00 C ATOM 0 H THR A 18 -6.116 -10.742 -2.214 1.00 0.00 H new ATOM 0 HA THR A 18 -7.986 -9.789 -4.278 1.00 0.00 H new ATOM 0 HB THR A 18 -8.037 -12.291 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.655 -13.328 -4.615 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.930 -12.987 -3.967 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.298 -11.500 -3.062 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.886 -11.410 -4.791 1.00 0.00 H new ATOM 251 N SER A 19 -9.372 -8.565 -2.618 1.00 0.00 N ATOM 252 CA SER A 19 -10.258 -7.869 -1.693 1.00 0.00 C ATOM 253 C SER A 19 -11.523 -8.681 -1.436 1.00 0.00 C ATOM 254 O SER A 19 -12.440 -8.696 -2.258 1.00 0.00 O ATOM 255 CB SER A 19 -10.625 -6.490 -2.247 1.00 0.00 C ATOM 256 OG SER A 19 -11.265 -6.602 -3.506 1.00 0.00 O ATOM 0 H SER A 19 -9.292 -8.127 -3.536 1.00 0.00 H new ATOM 0 HA SER A 19 -9.731 -7.744 -0.747 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.282 -5.976 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.725 -5.882 -2.345 1.00 0.00 H new ATOM 0 HG SER A 19 -11.905 -7.344 -3.483 1.00 0.00 H new ATOM 262 N GLN A 20 -11.565 -9.354 -0.291 1.00 0.00 N ATOM 263 CA GLN A 20 -12.717 -10.169 0.074 1.00 0.00 C ATOM 264 C GLN A 20 -13.932 -9.295 0.367 1.00 0.00 C ATOM 265 O GLN A 20 -15.064 -9.661 0.053 1.00 0.00 O ATOM 266 CB GLN A 20 -12.392 -11.035 1.292 1.00 0.00 C ATOM 267 CG GLN A 20 -11.522 -12.239 0.966 1.00 0.00 C ATOM 268 CD GLN A 20 -10.114 -11.849 0.559 1.00 0.00 C ATOM 269 OE1 GLN A 20 -9.504 -10.967 1.162 1.00 0.00 O ATOM 270 NE2 GLN A 20 -9.592 -12.508 -0.468 1.00 0.00 N ATOM 0 H GLN A 20 -10.815 -9.351 0.400 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.953 -10.817 -0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.886 -10.423 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.323 -11.381 1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.476 -12.895 1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.984 -12.809 0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.135 -13.232 -0.938 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.648 -12.290 -0.787 1.00 0.00 H new ATOM 279 N SER A 21 -13.689 -8.136 0.972 1.00 0.00 N ATOM 280 CA SER A 21 -14.763 -7.211 1.312 1.00 0.00 C ATOM 281 C SER A 21 -14.337 -5.768 1.062 1.00 0.00 C ATOM 282 O SER A 21 -13.148 -5.472 0.928 1.00 0.00 O ATOM 283 CB SER A 21 -15.171 -7.387 2.777 1.00 0.00 C ATOM 284 OG SER A 21 -16.529 -7.033 2.973 1.00 0.00 O ATOM 0 H SER A 21 -12.757 -7.816 1.237 1.00 0.00 H new ATOM 0 HA SER A 21 -15.618 -7.435 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.014 -8.422 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.535 -6.770 3.412 1.00 0.00 H new ATOM 0 HG SER A 21 -16.766 -7.156 3.916 1.00 0.00 H new ATOM 290 N LYS A 22 -15.315 -4.871 0.999 1.00 0.00 N ATOM 291 CA LYS A 22 -15.045 -3.458 0.765 1.00 0.00 C ATOM 292 C LYS A 22 -13.961 -2.948 1.709 1.00 0.00 C ATOM 293 O LYS A 22 -13.176 -2.068 1.352 1.00 0.00 O ATOM 294 CB LYS A 22 -16.322 -2.635 0.947 1.00 0.00 C ATOM 295 CG LYS A 22 -16.947 -2.779 2.323 1.00 0.00 C ATOM 296 CD LYS A 22 -18.111 -1.820 2.510 1.00 0.00 C ATOM 297 CE LYS A 22 -19.403 -2.397 1.951 1.00 0.00 C ATOM 298 NZ LYS A 22 -19.537 -2.142 0.490 1.00 0.00 N ATOM 0 H LYS A 22 -16.303 -5.098 1.107 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.692 -3.347 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.095 -1.584 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.049 -2.937 0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.293 -3.803 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.193 -2.591 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.237 -1.602 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.889 -0.875 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.432 -3.471 2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.253 -1.960 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.520 -1.881 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.903 -1.365 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.282 -3.001 -0.037 1.00 0.00 H new ATOM 312 N ASP A 23 -13.922 -3.505 2.914 1.00 0.00 N ATOM 313 CA ASP A 23 -12.932 -3.108 3.909 1.00 0.00 C ATOM 314 C ASP A 23 -11.517 -3.281 3.366 1.00 0.00 C ATOM 315 O ASP A 23 -10.634 -2.470 3.642 1.00 0.00 O ATOM 316 CB ASP A 23 -13.105 -3.931 5.187 1.00 0.00 C ATOM 317 CG ASP A 23 -14.167 -3.358 6.105 1.00 0.00 C ATOM 318 OD1 ASP A 23 -14.301 -2.118 6.155 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.863 -4.149 6.773 1.00 0.00 O ATOM 0 H ASP A 23 -14.565 -4.233 3.226 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.087 -2.054 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.371 -4.955 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.155 -3.975 5.719 1.00 0.00 H new ATOM 324 N GLU A 24 -11.310 -4.343 2.595 1.00 0.00 N ATOM 325 CA GLU A 24 -10.001 -4.622 2.015 1.00 0.00 C ATOM 326 C GLU A 24 -9.945 -4.175 0.556 1.00 0.00 C ATOM 327 O GLU A 24 -10.972 -4.088 -0.117 1.00 0.00 O ATOM 328 CB GLU A 24 -9.682 -6.115 2.114 1.00 0.00 C ATOM 329 CG GLU A 24 -9.671 -6.642 3.539 1.00 0.00 C ATOM 330 CD GLU A 24 -11.050 -7.046 4.023 1.00 0.00 C ATOM 331 OE1 GLU A 24 -11.634 -7.981 3.435 1.00 0.00 O ATOM 332 OE2 GLU A 24 -11.545 -6.428 4.988 1.00 0.00 O ATOM 0 H GLU A 24 -12.031 -5.024 2.357 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.256 -4.060 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.417 -6.674 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.709 -6.301 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.003 -7.501 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.267 -5.877 4.202 1.00 0.00 H new ATOM 339 N ILE A 25 -8.739 -3.891 0.078 1.00 0.00 N ATOM 340 CA ILE A 25 -8.547 -3.453 -1.300 1.00 0.00 C ATOM 341 C ILE A 25 -7.675 -4.436 -2.073 1.00 0.00 C ATOM 342 O ILE A 25 -6.689 -4.952 -1.549 1.00 0.00 O ATOM 343 CB ILE A 25 -7.906 -2.054 -1.362 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.106 -1.440 -2.749 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.426 -2.135 -1.020 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.939 0.064 -2.773 1.00 0.00 C ATOM 0 H ILE A 25 -7.880 -3.956 0.624 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.535 -3.411 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.394 -1.413 -0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.394 -1.888 -3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.103 -1.693 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.986 -1.139 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.307 -2.536 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.923 -2.788 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.095 0.431 -3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.669 0.522 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.933 0.324 -2.443 1.00 0.00 H new ATOM 358 N GLY A 26 -8.044 -4.688 -3.325 1.00 0.00 N ATOM 359 CA GLY A 26 -7.283 -5.607 -4.152 1.00 0.00 C ATOM 360 C GLY A 26 -6.398 -4.889 -5.152 1.00 0.00 C ATOM 361 O GLY A 26 -6.876 -4.074 -5.942 1.00 0.00 O ATOM 0 H GLY A 26 -8.856 -4.272 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.666 -6.240 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.969 -6.265 -4.685 1.00 0.00 H new ATOM 365 N PHE A 27 -5.104 -5.192 -5.119 1.00 0.00 N ATOM 366 CA PHE A 27 -4.150 -4.568 -6.028 1.00 0.00 C ATOM 367 C PHE A 27 -3.274 -5.620 -6.703 1.00 0.00 C ATOM 368 O PHE A 27 -3.097 -6.720 -6.182 1.00 0.00 O ATOM 369 CB PHE A 27 -3.273 -3.567 -5.272 1.00 0.00 C ATOM 370 CG PHE A 27 -2.821 -4.061 -3.927 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.915 -5.105 -3.828 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.302 -3.483 -2.764 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.497 -5.563 -2.592 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.887 -3.935 -1.526 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.984 -4.977 -1.440 1.00 0.00 C ATOM 0 H PHE A 27 -4.693 -5.865 -4.473 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.712 -4.040 -6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.397 -3.334 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.827 -2.637 -5.141 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.531 -5.566 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.010 -2.670 -2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.791 -6.378 -2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.268 -3.474 -0.627 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.659 -5.333 -0.473 1.00 0.00 H new ATOM 385 N GLU A 28 -2.732 -5.271 -7.866 1.00 0.00 N ATOM 386 CA GLU A 28 -1.876 -6.187 -8.612 1.00 0.00 C ATOM 387 C GLU A 28 -0.433 -6.101 -8.125 1.00 0.00 C ATOM 388 O GLU A 28 -0.071 -5.195 -7.373 1.00 0.00 O ATOM 389 CB GLU A 28 -1.941 -5.873 -10.108 1.00 0.00 C ATOM 390 CG GLU A 28 -1.633 -4.423 -10.441 1.00 0.00 C ATOM 391 CD GLU A 28 -2.863 -3.538 -10.390 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.696 -3.625 -11.316 1.00 0.00 O ATOM 393 OE2 GLU A 28 -2.993 -2.758 -9.423 1.00 0.00 O ATOM 0 H GLU A 28 -2.870 -4.364 -8.311 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.237 -7.202 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.236 -6.516 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.936 -6.118 -10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.888 -4.044 -9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.192 -4.369 -11.436 1.00 0.00 H new ATOM 400 N LYS A 29 0.389 -7.050 -8.560 1.00 0.00 N ATOM 401 CA LYS A 29 1.794 -7.084 -8.171 1.00 0.00 C ATOM 402 C LYS A 29 2.646 -6.266 -9.137 1.00 0.00 C ATOM 403 O LYS A 29 2.775 -6.612 -10.311 1.00 0.00 O ATOM 404 CB LYS A 29 2.298 -8.528 -8.127 1.00 0.00 C ATOM 405 CG LYS A 29 3.795 -8.657 -8.344 1.00 0.00 C ATOM 406 CD LYS A 29 4.218 -10.111 -8.466 1.00 0.00 C ATOM 407 CE LYS A 29 5.729 -10.245 -8.575 1.00 0.00 C ATOM 408 NZ LYS A 29 6.155 -11.670 -8.653 1.00 0.00 N ATOM 0 H LYS A 29 0.106 -7.807 -9.183 1.00 0.00 H new ATOM 0 HA LYS A 29 1.880 -6.645 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.040 -8.964 -7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.778 -9.109 -8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.080 -8.117 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.325 -8.191 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.864 -10.668 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.748 -10.555 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.078 -9.713 -9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.199 -9.772 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.191 -11.719 -8.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.844 -12.173 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.727 -12.115 -9.490 1.00 0.00 H new ATOM 422 N GLY A 30 3.227 -5.182 -8.634 1.00 0.00 N ATOM 423 CA GLY A 30 4.061 -4.334 -9.466 1.00 0.00 C ATOM 424 C GLY A 30 3.553 -2.907 -9.533 1.00 0.00 C ATOM 425 O GLY A 30 3.865 -2.172 -10.470 1.00 0.00 O ATOM 0 H GLY A 30 3.135 -4.875 -7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.079 -4.336 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.105 -4.748 -10.473 1.00 0.00 H new ATOM 429 N VAL A 31 2.764 -2.514 -8.537 1.00 0.00 N ATOM 430 CA VAL A 31 2.209 -1.166 -8.487 1.00 0.00 C ATOM 431 C VAL A 31 2.633 -0.446 -7.212 1.00 0.00 C ATOM 432 O VAL A 31 3.120 -1.065 -6.267 1.00 0.00 O ATOM 433 CB VAL A 31 0.672 -1.189 -8.564 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.212 -1.463 -9.987 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.106 -2.224 -7.603 1.00 0.00 C ATOM 0 H VAL A 31 2.495 -3.110 -7.754 1.00 0.00 H new ATOM 0 HA VAL A 31 2.600 -0.629 -9.352 1.00 0.00 H new ATOM 0 HB VAL A 31 0.296 -0.209 -8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.877 -1.475 -10.021 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.587 -0.681 -10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.596 -2.429 -10.314 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.982 -2.227 -7.671 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.488 -3.211 -7.864 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.406 -1.977 -6.584 1.00 0.00 H new ATOM 445 N THR A 32 2.445 0.871 -7.193 1.00 0.00 N ATOM 446 CA THR A 32 2.808 1.678 -6.036 1.00 0.00 C ATOM 447 C THR A 32 1.573 2.090 -5.243 1.00 0.00 C ATOM 448 O THR A 32 0.571 2.521 -5.815 1.00 0.00 O ATOM 449 CB THR A 32 3.582 2.943 -6.453 1.00 0.00 C ATOM 450 OG1 THR A 32 4.724 2.582 -7.238 1.00 0.00 O ATOM 451 CG2 THR A 32 4.028 3.733 -5.232 1.00 0.00 C ATOM 0 H THR A 32 2.043 1.400 -7.967 1.00 0.00 H new ATOM 0 HA THR A 32 3.449 1.059 -5.409 1.00 0.00 H new ATOM 0 HB THR A 32 2.917 3.570 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.210 3.392 -7.501 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.572 4.621 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.154 4.032 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.678 3.113 -4.615 1.00 0.00 H new ATOM 459 N VAL A 33 1.650 1.955 -3.923 1.00 0.00 N ATOM 460 CA VAL A 33 0.538 2.315 -3.051 1.00 0.00 C ATOM 461 C VAL A 33 0.953 3.382 -2.044 1.00 0.00 C ATOM 462 O VAL A 33 2.126 3.741 -1.954 1.00 0.00 O ATOM 463 CB VAL A 33 0.002 1.088 -2.290 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.598 0.079 -3.258 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.106 0.451 -1.461 1.00 0.00 C ATOM 0 H VAL A 33 2.471 1.599 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.251 2.710 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.785 1.419 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.971 -0.781 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.420 0.543 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.167 -0.249 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.709 -0.414 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.917 0.134 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.485 1.176 -0.741 1.00 0.00 H new ATOM 475 N GLU A 34 -0.018 3.884 -1.289 1.00 0.00 N ATOM 476 CA GLU A 34 0.247 4.911 -0.288 1.00 0.00 C ATOM 477 C GLU A 34 -0.079 4.402 1.113 1.00 0.00 C ATOM 478 O GLU A 34 -1.245 4.225 1.467 1.00 0.00 O ATOM 479 CB GLU A 34 -0.571 6.169 -0.587 1.00 0.00 C ATOM 480 CG GLU A 34 -0.342 6.727 -1.982 1.00 0.00 C ATOM 481 CD GLU A 34 -1.519 7.539 -2.487 1.00 0.00 C ATOM 482 OE1 GLU A 34 -2.638 7.349 -1.963 1.00 0.00 O ATOM 483 OE2 GLU A 34 -1.323 8.361 -3.406 1.00 0.00 O ATOM 0 H GLU A 34 -0.995 3.597 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 34 1.308 5.157 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.630 5.941 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.324 6.936 0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.551 7.353 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.151 5.904 -2.671 1.00 0.00 H new ATOM 490 N VAL A 35 0.961 4.167 1.907 1.00 0.00 N ATOM 491 CA VAL A 35 0.788 3.679 3.270 1.00 0.00 C ATOM 492 C VAL A 35 0.376 4.806 4.210 1.00 0.00 C ATOM 493 O VAL A 35 1.189 5.661 4.563 1.00 0.00 O ATOM 494 CB VAL A 35 2.079 3.028 3.802 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.818 2.332 5.129 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.642 2.052 2.780 1.00 0.00 C ATOM 0 H VAL A 35 1.933 4.307 1.629 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.002 2.929 3.239 1.00 0.00 H new ATOM 0 HB VAL A 35 2.819 3.811 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.741 1.878 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.463 3.060 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.063 1.558 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.554 1.601 3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.908 1.271 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.868 2.583 1.856 1.00 0.00 H new ATOM 506 N ILE A 36 -0.890 4.801 4.612 1.00 0.00 N ATOM 507 CA ILE A 36 -1.409 5.823 5.512 1.00 0.00 C ATOM 508 C ILE A 36 -1.033 5.524 6.959 1.00 0.00 C ATOM 509 O ILE A 36 -0.387 6.335 7.624 1.00 0.00 O ATOM 510 CB ILE A 36 -2.942 5.942 5.407 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.349 6.304 3.977 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.462 6.978 6.391 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.736 5.828 3.604 1.00 0.00 C ATOM 0 H ILE A 36 -1.575 4.101 4.329 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.958 6.768 5.209 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.385 4.978 5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.301 7.386 3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.627 5.874 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.546 7.050 6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.198 6.681 7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.015 7.947 6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.957 6.120 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.784 4.743 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.468 6.278 4.275 1.00 0.00 H new ATOM 525 N ARG A 37 -1.439 4.354 7.441 1.00 0.00 N ATOM 526 CA ARG A 37 -1.144 3.947 8.809 1.00 0.00 C ATOM 527 C ARG A 37 -0.428 2.599 8.832 1.00 0.00 C ATOM 528 O ARG A 37 -0.260 1.954 7.797 1.00 0.00 O ATOM 529 CB ARG A 37 -2.433 3.865 9.629 1.00 0.00 C ATOM 530 CG ARG A 37 -2.964 5.221 10.065 1.00 0.00 C ATOM 531 CD ARG A 37 -2.322 5.679 11.366 1.00 0.00 C ATOM 532 NE ARG A 37 -2.712 7.040 11.720 1.00 0.00 N ATOM 533 CZ ARG A 37 -2.297 8.118 11.063 1.00 0.00 C ATOM 534 NH1 ARG A 37 -1.483 7.993 10.024 1.00 0.00 N ATOM 535 NH2 ARG A 37 -2.697 9.324 11.446 1.00 0.00 N ATOM 0 H ARG A 37 -1.973 3.671 6.904 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.487 4.696 9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.197 3.357 9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.253 3.253 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.771 5.957 9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.045 5.166 10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.607 5.000 12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.237 5.625 11.273 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.337 7.171 12.515 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.174 7.068 9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.166 8.822 9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.323 9.424 12.245 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.378 10.151 10.941 1.00 0.00 H new ATOM 626 N TRP A 43 -1.277 -5.194 9.814 1.00 0.00 N ATOM 627 CA TRP A 43 -2.268 -4.507 8.993 1.00 0.00 C ATOM 628 C TRP A 43 -1.821 -3.086 8.673 1.00 0.00 C ATOM 629 O TRP A 43 -1.805 -2.219 9.547 1.00 0.00 O ATOM 630 CB TRP A 43 -3.621 -4.481 9.707 1.00 0.00 C ATOM 631 CG TRP A 43 -4.473 -5.678 9.410 1.00 0.00 C ATOM 632 CD1 TRP A 43 -5.012 -6.545 10.316 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.882 -6.138 8.118 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.731 -7.518 9.665 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.668 -7.290 8.317 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.662 -5.689 6.813 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.233 -7.997 7.258 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.223 -6.391 5.763 1.00 0.00 C ATOM 639 CH2 TRP A 43 -6.002 -7.535 5.990 1.00 0.00 C ATOM 0 HA TRP A 43 -2.369 -5.054 8.056 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.455 -4.420 10.783 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.160 -3.579 9.416 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.891 -6.476 11.387 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.231 -8.286 10.114 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.064 -4.809 6.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.832 -8.879 7.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.059 -6.053 4.751 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.428 -8.062 5.149 1.00 0.00 H new ATOM 650 N TRP A 44 -1.458 -2.854 7.417 1.00 0.00 N ATOM 651 CA TRP A 44 -1.010 -1.535 6.983 1.00 0.00 C ATOM 652 C TRP A 44 -2.025 -0.899 6.039 1.00 0.00 C ATOM 653 O TRP A 44 -2.125 -1.278 4.873 1.00 0.00 O ATOM 654 CB TRP A 44 0.350 -1.638 6.292 1.00 0.00 C ATOM 655 CG TRP A 44 1.496 -1.769 7.250 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.494 -2.433 8.443 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.808 -1.217 7.098 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.726 -2.329 9.041 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.551 -1.589 8.236 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.429 -0.448 6.110 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.881 -1.216 8.411 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.749 -0.079 6.286 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.463 -0.463 7.429 1.00 0.00 C ATOM 0 H TRP A 44 -1.465 -3.561 6.682 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.915 -0.902 7.866 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.345 -2.499 5.623 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.503 -0.754 5.673 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.648 -2.962 8.856 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.985 -2.737 9.939 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.887 -0.148 5.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.433 -1.511 9.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.239 0.516 5.529 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.493 -0.158 7.537 1.00 0.00 H new ATOM 674 N TYR A 45 -2.776 0.070 6.552 1.00 0.00 N ATOM 675 CA TYR A 45 -3.785 0.758 5.756 1.00 0.00 C ATOM 676 C TYR A 45 -3.142 1.525 4.605 1.00 0.00 C ATOM 677 O TYR A 45 -2.370 2.460 4.823 1.00 0.00 O ATOM 678 CB TYR A 45 -4.592 1.715 6.634 1.00 0.00 C ATOM 679 CG TYR A 45 -5.999 1.955 6.134 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.870 0.895 5.915 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.458 3.242 5.882 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.156 1.110 5.457 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.742 3.467 5.425 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.587 2.397 5.214 1.00 0.00 C ATOM 685 OH TYR A 45 -9.867 2.615 4.759 1.00 0.00 O ATOM 0 H TYR A 45 -2.705 0.396 7.516 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.455 0.007 5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.639 1.314 7.646 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.069 2.669 6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.536 -0.114 6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.799 4.082 6.046 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.820 0.275 5.290 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.082 4.474 5.234 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.983 2.180 3.888 1.00 0.00 H new ATOM 695 N ILE A 46 -3.465 1.123 3.381 1.00 0.00 N ATOM 696 CA ILE A 46 -2.920 1.774 2.196 1.00 0.00 C ATOM 697 C ILE A 46 -4.034 2.279 1.286 1.00 0.00 C ATOM 698 O ILE A 46 -5.200 1.920 1.455 1.00 0.00 O ATOM 699 CB ILE A 46 -2.013 0.819 1.397 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.835 -0.329 0.809 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.900 0.281 2.283 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.203 -0.964 -0.410 1.00 0.00 C ATOM 0 H ILE A 46 -4.101 0.350 3.184 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.327 2.620 2.544 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.561 1.374 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.976 -1.093 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.824 0.043 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.268 -0.392 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.300 1.110 2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.334 -0.261 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.841 -1.770 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.086 -0.214 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.225 -1.367 -0.145 1.00 0.00 H new ATOM 714 N ARG A 47 -3.668 3.113 0.317 1.00 0.00 N ATOM 715 CA ARG A 47 -4.636 3.667 -0.621 1.00 0.00 C ATOM 716 C ARG A 47 -4.205 3.412 -2.062 1.00 0.00 C ATOM 717 O ARG A 47 -3.094 3.767 -2.460 1.00 0.00 O ATOM 718 CB ARG A 47 -4.804 5.170 -0.386 1.00 0.00 C ATOM 719 CG ARG A 47 -5.804 5.824 -1.324 1.00 0.00 C ATOM 720 CD ARG A 47 -5.660 7.340 -1.322 1.00 0.00 C ATOM 721 NE ARG A 47 -6.929 8.009 -1.594 1.00 0.00 N ATOM 722 CZ ARG A 47 -7.124 9.311 -1.418 1.00 0.00 C ATOM 723 NH1 ARG A 47 -6.139 10.080 -0.975 1.00 0.00 N ATOM 724 NH2 ARG A 47 -8.308 9.848 -1.688 1.00 0.00 N ATOM 0 H ARG A 47 -2.708 3.419 0.162 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.592 3.171 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.122 5.335 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.836 5.658 -0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.658 5.445 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.817 5.553 -1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.278 7.667 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.926 7.636 -2.072 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.707 7.446 -1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.227 9.672 -0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.293 11.079 -0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.068 9.261 -2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.457 10.848 -1.553 1.00 0.00 H new ATOM 738 N TYR A 48 -5.088 2.794 -2.839 1.00 0.00 N ATOM 739 CA TYR A 48 -4.798 2.489 -4.234 1.00 0.00 C ATOM 740 C TYR A 48 -5.994 2.814 -5.123 1.00 0.00 C ATOM 741 O TYR A 48 -7.119 2.397 -4.849 1.00 0.00 O ATOM 742 CB TYR A 48 -4.419 1.015 -4.388 1.00 0.00 C ATOM 743 CG TYR A 48 -4.435 0.532 -5.820 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.488 0.976 -6.735 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.397 -0.370 -6.259 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.500 0.537 -8.045 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.415 -0.815 -7.567 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.464 -0.358 -8.455 1.00 0.00 C ATOM 749 OH TYR A 48 -4.479 -0.798 -9.760 1.00 0.00 O ATOM 0 H TYR A 48 -6.011 2.494 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.957 3.108 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.424 0.859 -3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.108 0.408 -3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.730 1.676 -6.417 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.143 -0.729 -5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.758 0.893 -8.744 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.169 -1.516 -7.892 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.366 -1.771 -9.778 1.00 0.00 H new ATOM 759 N LEU A 49 -5.742 3.563 -6.192 1.00 0.00 N ATOM 760 CA LEU A 49 -6.797 3.946 -7.124 1.00 0.00 C ATOM 761 C LEU A 49 -7.858 4.792 -6.428 1.00 0.00 C ATOM 762 O LEU A 49 -9.050 4.654 -6.695 1.00 0.00 O ATOM 763 CB LEU A 49 -7.441 2.700 -7.735 1.00 0.00 C ATOM 764 CG LEU A 49 -6.801 2.175 -9.020 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.357 0.803 -9.371 1.00 0.00 C ATOM 766 CD2 LEU A 49 -7.024 3.151 -10.164 1.00 0.00 C ATOM 0 H LEU A 49 -4.817 3.917 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.348 4.542 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.421 1.903 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.489 2.920 -7.938 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.728 2.079 -8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.890 0.445 -10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.145 0.106 -8.560 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.435 0.874 -9.516 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.562 2.761 -11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.094 3.280 -10.329 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.577 4.113 -9.914 1.00 0.00 H new ATOM 778 N GLY A 50 -7.413 5.671 -5.534 1.00 0.00 N ATOM 779 CA GLY A 50 -8.338 6.529 -4.816 1.00 0.00 C ATOM 780 C GLY A 50 -9.256 5.750 -3.894 1.00 0.00 C ATOM 781 O GLY A 50 -10.428 6.093 -3.738 1.00 0.00 O ATOM 0 H GLY A 50 -6.430 5.804 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.775 7.257 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.938 7.090 -5.532 1.00 0.00 H new ATOM 785 N LYS A 51 -8.723 4.697 -3.284 1.00 0.00 N ATOM 786 CA LYS A 51 -9.501 3.866 -2.373 1.00 0.00 C ATOM 787 C LYS A 51 -8.641 3.379 -1.212 1.00 0.00 C ATOM 788 O LYS A 51 -7.580 2.790 -1.416 1.00 0.00 O ATOM 789 CB LYS A 51 -10.089 2.667 -3.122 1.00 0.00 C ATOM 790 CG LYS A 51 -11.174 3.045 -4.116 1.00 0.00 C ATOM 791 CD LYS A 51 -11.745 1.819 -4.810 1.00 0.00 C ATOM 792 CE LYS A 51 -10.835 1.338 -5.929 1.00 0.00 C ATOM 793 NZ LYS A 51 -9.814 0.372 -5.438 1.00 0.00 N ATOM 0 H LYS A 51 -7.755 4.399 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.313 4.472 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.288 2.150 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.500 1.963 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.973 3.577 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.765 3.728 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.883 1.019 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.729 2.054 -5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.435 0.867 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.336 2.194 -6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.864 0.772 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.970 0.186 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.894 -0.518 -5.970 1.00 0.00 H new ATOM 807 N GLU A 52 -9.106 3.630 0.009 1.00 0.00 N ATOM 808 CA GLU A 52 -8.379 3.217 1.203 1.00 0.00 C ATOM 809 C GLU A 52 -8.914 1.890 1.735 1.00 0.00 C ATOM 810 O GLU A 52 -10.099 1.765 2.040 1.00 0.00 O ATOM 811 CB GLU A 52 -8.480 4.292 2.287 1.00 0.00 C ATOM 812 CG GLU A 52 -8.081 5.678 1.809 1.00 0.00 C ATOM 813 CD GLU A 52 -8.627 6.781 2.696 1.00 0.00 C ATOM 814 OE1 GLU A 52 -9.072 6.472 3.820 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.608 7.952 2.264 1.00 0.00 O ATOM 0 H GLU A 52 -9.982 4.117 0.196 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.332 3.084 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.504 4.326 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.845 4.010 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.994 5.748 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.441 5.824 0.790 1.00 0.00 H new ATOM 822 N GLY A 53 -8.031 0.902 1.842 1.00 0.00 N ATOM 823 CA GLY A 53 -8.432 -0.402 2.336 1.00 0.00 C ATOM 824 C GLY A 53 -7.333 -1.088 3.121 1.00 0.00 C ATOM 825 O GLY A 53 -6.182 -0.650 3.105 1.00 0.00 O ATOM 0 H GLY A 53 -7.045 0.982 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.312 -0.292 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.721 -1.032 1.495 1.00 0.00 H new ATOM 829 N TRP A 54 -7.687 -2.165 3.813 1.00 0.00 N ATOM 830 CA TRP A 54 -6.721 -2.913 4.611 1.00 0.00 C ATOM 831 C TRP A 54 -5.906 -3.857 3.735 1.00 0.00 C ATOM 832 O TRP A 54 -6.463 -4.621 2.946 1.00 0.00 O ATOM 833 CB TRP A 54 -7.437 -3.703 5.707 1.00 0.00 C ATOM 834 CG TRP A 54 -7.832 -2.863 6.884 1.00 0.00 C ATOM 835 CD1 TRP A 54 -9.102 -2.577 7.299 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.952 -2.198 7.796 1.00 0.00 C ATOM 837 NE1 TRP A 54 -9.064 -1.776 8.413 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.757 -1.529 8.739 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.562 -2.104 7.909 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -7.216 -0.777 9.779 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -5.027 -1.357 8.942 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.852 -0.702 9.866 1.00 0.00 C ATOM 0 H TRP A 54 -8.635 -2.540 3.838 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.040 -2.200 5.074 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.329 -4.168 5.286 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.787 -4.509 6.047 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -10.004 -2.930 6.821 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.877 -1.422 8.916 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.918 -2.606 7.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.850 -0.271 10.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.954 -1.277 9.038 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.403 -0.127 10.662 1.00 0.00 H new ATOM 853 N ALA A 55 -4.587 -3.801 3.879 1.00 0.00 N ATOM 854 CA ALA A 55 -3.696 -4.654 3.102 1.00 0.00 C ATOM 855 C ALA A 55 -2.563 -5.196 3.966 1.00 0.00 C ATOM 856 O ALA A 55 -2.053 -4.520 4.859 1.00 0.00 O ATOM 857 CB ALA A 55 -3.136 -3.888 1.913 1.00 0.00 C ATOM 0 H ALA A 55 -4.111 -3.173 4.527 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.274 -5.502 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.472 -4.537 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.955 -3.556 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.578 -3.022 2.268 1.00 0.00 H new ATOM 863 N PRO A 56 -2.158 -6.447 3.696 1.00 0.00 N ATOM 864 CA PRO A 56 -1.081 -7.108 4.439 1.00 0.00 C ATOM 865 C PRO A 56 0.285 -6.497 4.144 1.00 0.00 C ATOM 866 O PRO A 56 0.717 -6.448 2.993 1.00 0.00 O ATOM 867 CB PRO A 56 -1.140 -8.553 3.939 1.00 0.00 C ATOM 868 CG PRO A 56 -1.754 -8.460 2.585 1.00 0.00 C ATOM 869 CD PRO A 56 -2.722 -7.311 2.646 1.00 0.00 C ATOM 0 HA PRO A 56 -1.209 -7.011 5.517 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.146 -8.997 3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.738 -9.178 4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.994 -8.289 1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.265 -9.387 2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.789 -6.791 1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.728 -7.646 2.898 1.00 0.00 H new ATOM 877 N ALA A 57 0.960 -6.035 5.191 1.00 0.00 N ATOM 878 CA ALA A 57 2.279 -5.430 5.044 1.00 0.00 C ATOM 879 C ALA A 57 3.220 -6.348 4.271 1.00 0.00 C ATOM 880 O ALA A 57 4.154 -5.885 3.617 1.00 0.00 O ATOM 881 CB ALA A 57 2.863 -5.101 6.410 1.00 0.00 C ATOM 0 H ALA A 57 0.616 -6.068 6.151 1.00 0.00 H new ATOM 0 HA ALA A 57 2.168 -4.506 4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.848 -4.650 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.206 -4.402 6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.954 -6.015 6.997 1.00 0.00 H new ATOM 887 N SER A 58 2.967 -7.650 4.350 1.00 0.00 N ATOM 888 CA SER A 58 3.795 -8.633 3.660 1.00 0.00 C ATOM 889 C SER A 58 3.767 -8.404 2.152 1.00 0.00 C ATOM 890 O SER A 58 4.722 -8.726 1.446 1.00 0.00 O ATOM 891 CB SER A 58 3.315 -10.049 3.981 1.00 0.00 C ATOM 892 OG SER A 58 3.869 -10.511 5.200 1.00 0.00 O ATOM 0 H SER A 58 2.196 -8.049 4.885 1.00 0.00 H new ATOM 0 HA SER A 58 4.821 -8.517 4.008 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.227 -10.062 4.044 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.595 -10.723 3.172 1.00 0.00 H new ATOM 0 HG SER A 58 3.545 -11.418 5.384 1.00 0.00 H new ATOM 898 N TYR A 59 2.665 -7.844 1.665 1.00 0.00 N ATOM 899 CA TYR A 59 2.511 -7.573 0.241 1.00 0.00 C ATOM 900 C TYR A 59 2.883 -6.130 -0.083 1.00 0.00 C ATOM 901 O TYR A 59 2.360 -5.538 -1.029 1.00 0.00 O ATOM 902 CB TYR A 59 1.073 -7.852 -0.200 1.00 0.00 C ATOM 903 CG TYR A 59 0.676 -9.307 -0.092 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.728 -9.972 1.128 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.253 -10.017 -1.207 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.368 -11.303 1.231 1.00 0.00 C ATOM 907 CE2 TYR A 59 -0.110 -11.346 -1.113 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.051 -11.984 0.108 1.00 0.00 C ATOM 909 OH TYR A 59 -0.410 -13.309 0.206 1.00 0.00 O ATOM 0 H TYR A 59 1.865 -7.569 2.236 1.00 0.00 H new ATOM 0 HA TYR A 59 3.186 -8.234 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.394 -7.253 0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.949 -7.526 -1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.055 -9.440 2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.207 -9.521 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.415 -11.806 2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.438 -11.883 -1.991 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.682 -13.640 -0.675 1.00 0.00 H new ATOM 919 N LEU A 60 3.791 -5.569 0.707 1.00 0.00 N ATOM 920 CA LEU A 60 4.236 -4.194 0.506 1.00 0.00 C ATOM 921 C LEU A 60 5.685 -4.021 0.949 1.00 0.00 C ATOM 922 O LEU A 60 6.100 -4.556 1.977 1.00 0.00 O ATOM 923 CB LEU A 60 3.336 -3.228 1.278 1.00 0.00 C ATOM 924 CG LEU A 60 1.831 -3.443 1.123 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.078 -2.800 2.277 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.347 -2.888 -0.208 1.00 0.00 C ATOM 0 H LEU A 60 4.234 -6.045 1.493 1.00 0.00 H new ATOM 0 HA LEU A 60 4.171 -3.969 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.585 -3.298 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.572 -2.212 0.962 1.00 0.00 H new ATOM 0 HG LEU A 60 1.633 -4.515 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.008 -2.964 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.404 -3.245 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.282 -1.729 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.273 -3.050 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.558 -1.820 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.862 -3.396 -1.023 1.00 0.00 H new ATOM 938 N LYS A 61 6.452 -3.268 0.166 1.00 0.00 N ATOM 939 CA LYS A 61 7.855 -3.021 0.478 1.00 0.00 C ATOM 940 C LYS A 61 8.199 -1.545 0.300 1.00 0.00 C ATOM 941 O LYS A 61 7.823 -0.924 -0.695 1.00 0.00 O ATOM 942 CB LYS A 61 8.757 -3.877 -0.415 1.00 0.00 C ATOM 943 CG LYS A 61 8.772 -3.432 -1.867 1.00 0.00 C ATOM 944 CD LYS A 61 9.703 -4.294 -2.703 1.00 0.00 C ATOM 945 CE LYS A 61 9.928 -3.694 -4.083 1.00 0.00 C ATOM 946 NZ LYS A 61 10.753 -2.455 -4.021 1.00 0.00 N ATOM 0 H LYS A 61 6.125 -2.818 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 61 8.023 -3.293 1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.774 -3.848 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.425 -4.914 -0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.763 -3.483 -2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.087 -2.390 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.659 -4.401 -2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.282 -5.294 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.421 -4.427 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.966 -3.467 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.097 -2.219 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.175 -1.671 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.564 -2.609 -3.389 1.00 0.00 H new ATOM 960 N LYS A 62 8.917 -0.990 1.270 1.00 0.00 N ATOM 961 CA LYS A 62 9.316 0.413 1.221 1.00 0.00 C ATOM 962 C LYS A 62 9.952 0.750 -0.123 1.00 0.00 C ATOM 963 O LYS A 62 11.040 0.273 -0.442 1.00 0.00 O ATOM 964 CB LYS A 62 10.294 0.727 2.354 1.00 0.00 C ATOM 965 CG LYS A 62 10.210 2.159 2.851 1.00 0.00 C ATOM 966 CD LYS A 62 10.759 3.138 1.828 1.00 0.00 C ATOM 967 CE LYS A 62 10.276 4.556 2.095 1.00 0.00 C ATOM 968 NZ LYS A 62 8.868 4.754 1.652 1.00 0.00 N ATOM 0 H LYS A 62 9.235 -1.490 2.100 1.00 0.00 H new ATOM 0 HA LYS A 62 8.422 1.024 1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.101 0.051 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.310 0.529 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.172 2.408 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.767 2.255 3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.849 3.114 1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.452 2.831 0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.356 4.772 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.923 5.264 1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.603 5.753 1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.779 4.491 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.237 4.157 2.224 1.00 0.00 H new ATOM 982 N ALA A 63 9.268 1.577 -0.907 1.00 0.00 N ATOM 983 CA ALA A 63 9.769 1.980 -2.215 1.00 0.00 C ATOM 984 C ALA A 63 11.129 2.659 -2.096 1.00 0.00 C ATOM 985 O ALA A 63 11.644 2.852 -0.994 1.00 0.00 O ATOM 986 CB ALA A 63 8.774 2.906 -2.898 1.00 0.00 C ATOM 0 H ALA A 63 8.365 1.981 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 63 9.891 1.083 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.161 3.199 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.823 2.388 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.624 3.795 -2.285 1.00 0.00 H new