USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=13 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+ -156:sc= 0 (180deg=-0.19) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 178:sc= 0.813 USER MOD Single : A 15 GLN : amide:sc= -2.11 X(o=-2.1,f=-2) USER MOD Single : A 17 TYR OH : rot 180:sc= 0.355 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 3:sc= 0.426! USER MOD Single : A 20 GLN : amide:sc= -0.0183 K(o=-0.018,f=-0.57) USER MOD Single : A 21 SER OG : rot 126:sc= -0.0687 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -39:sc= 0.0913 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 144:sc= -0.746 (180deg=-2.51!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N GLU A 9 4.378 7.648 3.066 1.00 0.00 N ATOM 82 CA GLU A 9 5.398 6.746 2.542 1.00 0.00 C ATOM 83 C GLU A 9 4.835 5.886 1.414 1.00 0.00 C ATOM 84 O GLU A 9 3.830 5.197 1.586 1.00 0.00 O ATOM 85 CB GLU A 9 5.943 5.853 3.657 1.00 0.00 C ATOM 86 CG GLU A 9 7.004 6.524 4.512 1.00 0.00 C ATOM 87 CD GLU A 9 7.743 5.544 5.402 1.00 0.00 C ATOM 88 OE1 GLU A 9 7.168 4.481 5.719 1.00 0.00 O ATOM 89 OE2 GLU A 9 8.895 5.838 5.781 1.00 0.00 O ATOM 0 HA GLU A 9 6.212 7.351 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.118 5.541 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.363 4.950 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.719 7.031 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.536 7.289 5.131 1.00 0.00 H new ATOM 96 N LYS A 10 5.489 5.932 0.259 1.00 0.00 N ATOM 97 CA LYS A 10 5.057 5.157 -0.898 1.00 0.00 C ATOM 98 C LYS A 10 5.697 3.772 -0.895 1.00 0.00 C ATOM 99 O LYS A 10 6.921 3.643 -0.906 1.00 0.00 O ATOM 100 CB LYS A 10 5.414 5.892 -2.192 1.00 0.00 C ATOM 101 CG LYS A 10 4.356 6.887 -2.638 1.00 0.00 C ATOM 102 CD LYS A 10 4.494 7.222 -4.114 1.00 0.00 C ATOM 103 CE LYS A 10 3.230 7.874 -4.656 1.00 0.00 C ATOM 104 NZ LYS A 10 3.244 7.955 -6.143 1.00 0.00 N ATOM 0 H LYS A 10 6.322 6.499 0.099 1.00 0.00 H new ATOM 0 HA LYS A 10 3.975 5.038 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.359 6.417 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.570 5.160 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.365 6.475 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.441 7.799 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.342 7.892 -4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.706 6.313 -4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.359 7.305 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.130 8.876 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.618 8.725 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.213 8.142 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.910 7.055 -6.543 1.00 0.00 H new ATOM 118 N TYR A 11 4.860 2.740 -0.881 1.00 0.00 N ATOM 119 CA TYR A 11 5.344 1.365 -0.875 1.00 0.00 C ATOM 120 C TYR A 11 5.124 0.704 -2.234 1.00 0.00 C ATOM 121 O TYR A 11 4.393 1.223 -3.078 1.00 0.00 O ATOM 122 CB TYR A 11 4.639 0.558 0.216 1.00 0.00 C ATOM 123 CG TYR A 11 5.337 0.611 1.556 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.312 1.764 2.329 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.025 -0.492 2.047 1.00 0.00 C ATOM 126 CE1 TYR A 11 5.951 1.818 3.553 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.664 -0.449 3.271 1.00 0.00 C ATOM 128 CZ TYR A 11 6.624 0.709 4.020 1.00 0.00 C ATOM 129 OH TYR A 11 7.262 0.756 5.239 1.00 0.00 O ATOM 0 H TYR A 11 3.844 2.830 -0.874 1.00 0.00 H new ATOM 0 HA TYR A 11 6.414 1.385 -0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.621 0.931 0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.564 -0.481 -0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.784 2.634 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.061 -1.399 1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.923 2.724 4.141 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.192 -1.316 3.639 1.00 0.00 H new ATOM 0 HH TYR A 11 7.687 -0.109 5.420 1.00 0.00 H new ATOM 139 N VAL A 12 5.762 -0.444 -2.436 1.00 0.00 N ATOM 140 CA VAL A 12 5.637 -1.177 -3.690 1.00 0.00 C ATOM 141 C VAL A 12 5.174 -2.609 -3.445 1.00 0.00 C ATOM 142 O VAL A 12 5.625 -3.268 -2.508 1.00 0.00 O ATOM 143 CB VAL A 12 6.971 -1.205 -4.460 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.856 -2.086 -5.695 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.397 0.205 -4.838 1.00 0.00 C ATOM 0 H VAL A 12 6.371 -0.887 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 12 4.892 -0.654 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 12 7.737 -1.629 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.808 -2.094 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.600 -3.102 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.078 -1.694 -6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.341 0.167 -5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.633 0.659 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.522 0.802 -3.935 1.00 0.00 H new ATOM 155 N THR A 13 4.269 -3.086 -4.294 1.00 0.00 N ATOM 156 CA THR A 13 3.743 -4.440 -4.170 1.00 0.00 C ATOM 157 C THR A 13 4.620 -5.440 -4.913 1.00 0.00 C ATOM 158 O THR A 13 5.144 -5.145 -5.988 1.00 0.00 O ATOM 159 CB THR A 13 2.304 -4.536 -4.710 1.00 0.00 C ATOM 160 OG1 THR A 13 2.313 -4.482 -6.141 1.00 0.00 O ATOM 161 CG2 THR A 13 1.445 -3.407 -4.161 1.00 0.00 C ATOM 0 H THR A 13 3.885 -2.554 -5.075 1.00 0.00 H new ATOM 0 HA THR A 13 3.741 -4.682 -3.107 1.00 0.00 H new ATOM 0 HB THR A 13 1.880 -5.486 -4.385 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.398 -4.580 -6.478 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.433 -3.495 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.417 -3.467 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.869 -2.449 -4.460 1.00 0.00 H new ATOM 169 N VAL A 14 4.776 -6.628 -4.336 1.00 0.00 N ATOM 170 CA VAL A 14 5.590 -7.673 -4.945 1.00 0.00 C ATOM 171 C VAL A 14 4.734 -8.869 -5.349 1.00 0.00 C ATOM 172 O VAL A 14 5.220 -9.808 -5.979 1.00 0.00 O ATOM 173 CB VAL A 14 6.700 -8.149 -3.991 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.793 -7.098 -3.877 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.121 -8.477 -2.623 1.00 0.00 C ATOM 0 H VAL A 14 4.349 -6.890 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 14 6.048 -7.240 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 14 7.143 -9.057 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.569 -7.452 -3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.226 -6.916 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.368 -6.172 -3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.919 -8.812 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.651 -7.587 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.377 -9.267 -2.723 1.00 0.00 H new ATOM 185 N GLN A 15 3.458 -8.828 -4.981 1.00 0.00 N ATOM 186 CA GLN A 15 2.534 -9.908 -5.304 1.00 0.00 C ATOM 187 C GLN A 15 1.095 -9.405 -5.334 1.00 0.00 C ATOM 188 O GLN A 15 0.698 -8.541 -4.552 1.00 0.00 O ATOM 189 CB GLN A 15 2.668 -11.044 -4.288 1.00 0.00 C ATOM 190 CG GLN A 15 4.044 -11.691 -4.277 1.00 0.00 C ATOM 191 CD GLN A 15 4.356 -12.419 -5.570 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.487 -13.059 -6.161 1.00 0.00 O ATOM 193 NE2 GLN A 15 5.604 -12.324 -6.016 1.00 0.00 N ATOM 0 H GLN A 15 3.040 -8.058 -4.459 1.00 0.00 H new ATOM 0 HA GLN A 15 2.788 -10.284 -6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.449 -10.658 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.919 -11.806 -4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.800 -10.925 -4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.105 -12.393 -3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.292 -11.782 -5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.874 -12.793 -6.881 1.00 0.00 H new ATOM 202 N PRO A 16 0.293 -9.956 -6.258 1.00 0.00 N ATOM 203 CA PRO A 16 -1.115 -9.578 -6.412 1.00 0.00 C ATOM 204 C PRO A 16 -1.972 -10.050 -5.244 1.00 0.00 C ATOM 205 O PRO A 16 -1.940 -11.223 -4.871 1.00 0.00 O ATOM 206 CB PRO A 16 -1.533 -10.285 -7.704 1.00 0.00 C ATOM 207 CG PRO A 16 -0.605 -11.444 -7.817 1.00 0.00 C ATOM 208 CD PRO A 16 0.700 -10.991 -7.222 1.00 0.00 C ATOM 0 HA PRO A 16 -1.246 -8.496 -6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.572 -10.612 -7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.445 -9.622 -8.565 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.997 -12.311 -7.284 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.477 -11.741 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.225 -11.811 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.371 -10.591 -7.982 1.00 0.00 H new ATOM 216 N TYR A 17 -2.741 -9.131 -4.670 1.00 0.00 N ATOM 217 CA TYR A 17 -3.606 -9.453 -3.543 1.00 0.00 C ATOM 218 C TYR A 17 -5.075 -9.423 -3.956 1.00 0.00 C ATOM 219 O TYR A 17 -5.528 -8.486 -4.615 1.00 0.00 O ATOM 220 CB TYR A 17 -3.369 -8.473 -2.393 1.00 0.00 C ATOM 221 CG TYR A 17 -4.141 -8.813 -1.137 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.608 -9.668 -0.181 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.402 -8.278 -0.908 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.310 -9.981 0.967 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.111 -8.585 0.238 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.560 -9.438 1.172 1.00 0.00 C ATOM 227 OH TYR A 17 -6.262 -9.747 2.314 1.00 0.00 O ATOM 0 H TYR A 17 -2.782 -8.156 -4.968 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.362 -10.461 -3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.304 -8.450 -2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.645 -7.470 -2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.629 -10.095 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.836 -7.611 -1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.881 -10.648 1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.090 -8.160 0.401 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.124 -9.281 2.304 1.00 0.00 H new ATOM 237 N THR A 18 -5.815 -10.455 -3.566 1.00 0.00 N ATOM 238 CA THR A 18 -7.232 -10.549 -3.895 1.00 0.00 C ATOM 239 C THR A 18 -8.100 -10.252 -2.679 1.00 0.00 C ATOM 240 O THR A 18 -8.317 -11.119 -1.832 1.00 0.00 O ATOM 241 CB THR A 18 -7.591 -11.945 -4.439 1.00 0.00 C ATOM 242 OG1 THR A 18 -6.824 -12.225 -5.615 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.075 -12.035 -4.761 1.00 0.00 C ATOM 0 H THR A 18 -5.456 -11.239 -3.021 1.00 0.00 H new ATOM 0 HA THR A 18 -7.427 -9.805 -4.667 1.00 0.00 H new ATOM 0 HB THR A 18 -7.357 -12.681 -3.670 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.057 -13.115 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.305 -13.030 -5.143 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.655 -11.851 -3.857 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.330 -11.289 -5.514 1.00 0.00 H new ATOM 251 N SER A 19 -8.595 -9.021 -2.597 1.00 0.00 N ATOM 252 CA SER A 19 -9.438 -8.608 -1.481 1.00 0.00 C ATOM 253 C SER A 19 -10.880 -9.061 -1.692 1.00 0.00 C ATOM 254 O SER A 19 -11.495 -8.751 -2.713 1.00 0.00 O ATOM 255 CB SER A 19 -9.389 -7.088 -1.313 1.00 0.00 C ATOM 256 OG SER A 19 -10.243 -6.443 -2.242 1.00 0.00 O ATOM 0 H SER A 19 -8.427 -8.292 -3.290 1.00 0.00 H new ATOM 0 HA SER A 19 -9.056 -9.080 -0.576 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.684 -6.822 -0.298 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.366 -6.737 -1.450 1.00 0.00 H new ATOM 0 HG SER A 19 -10.724 -7.117 -2.766 1.00 0.00 H new ATOM 262 N GLN A 20 -11.411 -9.796 -0.722 1.00 0.00 N ATOM 263 CA GLN A 20 -12.780 -10.293 -0.802 1.00 0.00 C ATOM 264 C GLN A 20 -13.663 -9.623 0.244 1.00 0.00 C ATOM 265 O GLN A 20 -14.657 -10.196 0.691 1.00 0.00 O ATOM 266 CB GLN A 20 -12.805 -11.810 -0.612 1.00 0.00 C ATOM 267 CG GLN A 20 -12.426 -12.587 -1.863 1.00 0.00 C ATOM 268 CD GLN A 20 -11.791 -13.927 -1.547 1.00 0.00 C ATOM 269 OE1 GLN A 20 -11.978 -14.476 -0.462 1.00 0.00 O ATOM 270 NE2 GLN A 20 -11.033 -14.461 -2.498 1.00 0.00 N ATOM 0 H GLN A 20 -10.915 -10.061 0.129 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.171 -10.051 -1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.121 -12.078 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.804 -12.112 -0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.316 -12.746 -2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.734 -11.993 -2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.905 -13.971 -3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.579 -15.361 -2.343 1.00 0.00 H new ATOM 279 N SER A 21 -13.296 -8.406 0.631 1.00 0.00 N ATOM 280 CA SER A 21 -14.054 -7.658 1.627 1.00 0.00 C ATOM 281 C SER A 21 -13.930 -6.156 1.390 1.00 0.00 C ATOM 282 O SER A 21 -12.835 -5.638 1.171 1.00 0.00 O ATOM 283 CB SER A 21 -13.566 -8.006 3.036 1.00 0.00 C ATOM 284 OG SER A 21 -12.152 -7.950 3.114 1.00 0.00 O ATOM 0 H SER A 21 -12.477 -7.916 0.270 1.00 0.00 H new ATOM 0 HA SER A 21 -15.104 -7.937 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.001 -7.313 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.909 -9.004 3.307 1.00 0.00 H new ATOM 0 HG SER A 21 -11.888 -7.360 3.851 1.00 0.00 H new ATOM 290 N LYS A 22 -15.062 -5.461 1.436 1.00 0.00 N ATOM 291 CA LYS A 22 -15.083 -4.019 1.228 1.00 0.00 C ATOM 292 C LYS A 22 -14.052 -3.326 2.112 1.00 0.00 C ATOM 293 O LYS A 22 -13.393 -2.377 1.687 1.00 0.00 O ATOM 294 CB LYS A 22 -16.478 -3.461 1.519 1.00 0.00 C ATOM 295 CG LYS A 22 -16.915 -3.640 2.963 1.00 0.00 C ATOM 296 CD LYS A 22 -18.424 -3.541 3.105 1.00 0.00 C ATOM 297 CE LYS A 22 -19.091 -4.895 2.916 1.00 0.00 C ATOM 298 NZ LYS A 22 -20.524 -4.868 3.319 1.00 0.00 N ATOM 0 H LYS A 22 -15.977 -5.874 1.616 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.831 -3.824 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.494 -2.399 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.200 -3.951 0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.577 -4.610 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.440 -2.881 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.673 -3.146 4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.814 -2.836 2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.013 -5.196 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.562 -5.645 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.943 -5.809 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.597 -4.606 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -21.034 -4.170 2.741 1.00 0.00 H new ATOM 312 N ASP A 23 -13.917 -3.806 3.343 1.00 0.00 N ATOM 313 CA ASP A 23 -12.964 -3.234 4.287 1.00 0.00 C ATOM 314 C ASP A 23 -11.537 -3.361 3.763 1.00 0.00 C ATOM 315 O ASP A 23 -10.674 -2.544 4.078 1.00 0.00 O ATOM 316 CB ASP A 23 -13.084 -3.924 5.647 1.00 0.00 C ATOM 317 CG ASP A 23 -13.483 -5.381 5.524 1.00 0.00 C ATOM 318 OD1 ASP A 23 -12.621 -6.203 5.147 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.657 -5.700 5.805 1.00 0.00 O ATOM 0 H ASP A 23 -14.456 -4.590 3.711 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.196 -2.175 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.131 -3.854 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.821 -3.398 6.254 1.00 0.00 H new ATOM 324 N GLU A 24 -11.296 -4.395 2.961 1.00 0.00 N ATOM 325 CA GLU A 24 -9.973 -4.630 2.395 1.00 0.00 C ATOM 326 C GLU A 24 -9.917 -4.178 0.939 1.00 0.00 C ATOM 327 O GLU A 24 -10.950 -3.956 0.305 1.00 0.00 O ATOM 328 CB GLU A 24 -9.608 -6.112 2.495 1.00 0.00 C ATOM 329 CG GLU A 24 -9.420 -6.597 3.923 1.00 0.00 C ATOM 330 CD GLU A 24 -9.420 -8.110 4.030 1.00 0.00 C ATOM 331 OE1 GLU A 24 -8.987 -8.774 3.065 1.00 0.00 O ATOM 332 OE2 GLU A 24 -9.855 -8.629 5.080 1.00 0.00 O ATOM 0 H GLU A 24 -11.999 -5.082 2.689 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.252 -4.046 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.390 -6.703 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.689 -6.290 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.479 -6.209 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.216 -6.192 4.548 1.00 0.00 H new ATOM 339 N ILE A 25 -8.703 -4.044 0.414 1.00 0.00 N ATOM 340 CA ILE A 25 -8.512 -3.619 -0.968 1.00 0.00 C ATOM 341 C ILE A 25 -7.550 -4.549 -1.700 1.00 0.00 C ATOM 342 O ILE A 25 -6.589 -5.049 -1.118 1.00 0.00 O ATOM 343 CB ILE A 25 -7.974 -2.178 -1.044 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.251 -1.581 -2.425 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.484 -2.152 -0.739 1.00 0.00 C ATOM 346 CD1 ILE A 25 -8.114 -0.075 -2.470 1.00 0.00 C ATOM 0 H ILE A 25 -7.838 -4.223 0.924 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.489 -3.659 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.488 -1.573 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.564 -2.022 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.259 -1.856 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.119 -1.127 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.311 -2.543 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.953 -2.768 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.324 0.279 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.820 0.376 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.099 0.206 -2.191 1.00 0.00 H new ATOM 358 N GLY A 26 -7.815 -4.774 -2.983 1.00 0.00 N ATOM 359 CA GLY A 26 -6.962 -5.642 -3.775 1.00 0.00 C ATOM 360 C GLY A 26 -6.185 -4.883 -4.833 1.00 0.00 C ATOM 361 O GLY A 26 -6.734 -4.017 -5.515 1.00 0.00 O ATOM 0 H GLY A 26 -8.604 -4.371 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.264 -6.159 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.573 -6.406 -4.255 1.00 0.00 H new ATOM 365 N PHE A 27 -4.904 -5.206 -4.969 1.00 0.00 N ATOM 366 CA PHE A 27 -4.050 -4.547 -5.950 1.00 0.00 C ATOM 367 C PHE A 27 -3.275 -5.572 -6.774 1.00 0.00 C ATOM 368 O PHE A 27 -3.381 -6.775 -6.543 1.00 0.00 O ATOM 369 CB PHE A 27 -3.075 -3.596 -5.251 1.00 0.00 C ATOM 370 CG PHE A 27 -2.472 -4.169 -4.001 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.450 -5.101 -4.073 1.00 0.00 C ATOM 372 CD2 PHE A 27 -2.927 -3.774 -2.752 1.00 0.00 C ATOM 373 CE1 PHE A 27 -0.892 -5.630 -2.924 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.374 -4.299 -1.600 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.356 -5.229 -1.686 1.00 0.00 C ATOM 0 H PHE A 27 -4.434 -5.920 -4.412 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.688 -3.974 -6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.275 -3.335 -5.944 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.597 -2.672 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.085 -5.418 -5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.723 -3.048 -2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.095 -6.355 -2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.737 -3.983 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.923 -5.642 -0.787 1.00 0.00 H new ATOM 385 N GLU A 28 -2.497 -5.084 -7.735 1.00 0.00 N ATOM 386 CA GLU A 28 -1.706 -5.958 -8.594 1.00 0.00 C ATOM 387 C GLU A 28 -0.221 -5.839 -8.270 1.00 0.00 C ATOM 388 O GLU A 28 0.206 -4.907 -7.588 1.00 0.00 O ATOM 389 CB GLU A 28 -1.948 -5.617 -10.066 1.00 0.00 C ATOM 390 CG GLU A 28 -3.419 -5.516 -10.434 1.00 0.00 C ATOM 391 CD GLU A 28 -3.631 -5.143 -11.889 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.398 -3.968 -12.240 1.00 0.00 O ATOM 393 OE2 GLU A 28 -4.032 -6.028 -12.674 1.00 0.00 O ATOM 0 H GLU A 28 -2.397 -4.089 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.018 -6.986 -8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.459 -4.670 -10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.478 -6.378 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.907 -6.470 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.899 -4.772 -9.798 1.00 0.00 H new ATOM 400 N LYS A 29 0.565 -6.789 -8.764 1.00 0.00 N ATOM 401 CA LYS A 29 2.004 -6.793 -8.529 1.00 0.00 C ATOM 402 C LYS A 29 2.720 -5.886 -9.524 1.00 0.00 C ATOM 403 O LYS A 29 2.511 -5.985 -10.732 1.00 0.00 O ATOM 404 CB LYS A 29 2.555 -8.217 -8.634 1.00 0.00 C ATOM 405 CG LYS A 29 4.005 -8.277 -9.084 1.00 0.00 C ATOM 406 CD LYS A 29 4.477 -9.711 -9.255 1.00 0.00 C ATOM 407 CE LYS A 29 5.800 -9.777 -10.002 1.00 0.00 C ATOM 408 NZ LYS A 29 6.218 -11.181 -10.268 1.00 0.00 N ATOM 0 H LYS A 29 0.229 -7.568 -9.331 1.00 0.00 H new ATOM 0 HA LYS A 29 2.183 -6.413 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.464 -8.705 -7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.942 -8.784 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.117 -7.741 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.635 -7.770 -8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.587 -10.178 -8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.723 -10.281 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.711 -9.240 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.571 -9.273 -9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.124 -11.183 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.328 -11.687 -9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.494 -11.655 -10.845 1.00 0.00 H new ATOM 422 N GLY A 30 3.567 -4.999 -9.007 1.00 0.00 N ATOM 423 CA GLY A 30 4.301 -4.088 -9.864 1.00 0.00 C ATOM 424 C GLY A 30 3.669 -2.712 -9.924 1.00 0.00 C ATOM 425 O GLY A 30 3.837 -1.986 -10.903 1.00 0.00 O ATOM 0 H GLY A 30 3.757 -4.896 -8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.325 -3.999 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.354 -4.504 -10.870 1.00 0.00 H new ATOM 429 N VAL A 31 2.937 -2.352 -8.874 1.00 0.00 N ATOM 430 CA VAL A 31 2.276 -1.054 -8.811 1.00 0.00 C ATOM 431 C VAL A 31 2.753 -0.253 -7.606 1.00 0.00 C ATOM 432 O VAL A 31 3.622 -0.696 -6.854 1.00 0.00 O ATOM 433 CB VAL A 31 0.745 -1.206 -8.740 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.206 -1.798 -10.034 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.351 -2.065 -7.547 1.00 0.00 C ATOM 0 H VAL A 31 2.787 -2.942 -8.055 1.00 0.00 H new ATOM 0 HA VAL A 31 2.538 -0.521 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 31 0.304 -0.218 -8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.877 -1.898 -9.965 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.458 -1.141 -10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.651 -2.779 -10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.734 -2.162 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.801 -3.053 -7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.703 -1.596 -6.629 1.00 0.00 H new ATOM 445 N THR A 32 2.179 0.933 -7.425 1.00 0.00 N ATOM 446 CA THR A 32 2.545 1.798 -6.311 1.00 0.00 C ATOM 447 C THR A 32 1.375 1.983 -5.350 1.00 0.00 C ATOM 448 O THR A 32 0.223 2.086 -5.773 1.00 0.00 O ATOM 449 CB THR A 32 3.014 3.180 -6.804 1.00 0.00 C ATOM 450 OG1 THR A 32 4.202 3.044 -7.590 1.00 0.00 O ATOM 451 CG2 THR A 32 3.281 4.110 -5.629 1.00 0.00 C ATOM 0 H THR A 32 1.458 1.316 -8.037 1.00 0.00 H new ATOM 0 HA THR A 32 3.367 1.309 -5.788 1.00 0.00 H new ATOM 0 HB THR A 32 2.222 3.611 -7.417 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.492 3.927 -7.900 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.611 5.080 -6.001 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.367 4.235 -5.049 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.057 3.681 -4.995 1.00 0.00 H new ATOM 459 N VAL A 33 1.679 2.025 -4.057 1.00 0.00 N ATOM 460 CA VAL A 33 0.652 2.199 -3.037 1.00 0.00 C ATOM 461 C VAL A 33 1.068 3.247 -2.011 1.00 0.00 C ATOM 462 O VAL A 33 2.250 3.568 -1.883 1.00 0.00 O ATOM 463 CB VAL A 33 0.353 0.875 -2.309 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.195 -0.158 -3.281 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.603 0.355 -1.615 1.00 0.00 C ATOM 0 H VAL A 33 2.627 1.941 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.249 2.534 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.406 1.062 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.400 -1.086 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.117 0.215 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.538 -0.344 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.374 -0.581 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.385 0.184 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.947 1.089 -0.887 1.00 0.00 H new ATOM 475 N GLU A 34 0.091 3.777 -1.282 1.00 0.00 N ATOM 476 CA GLU A 34 0.357 4.789 -0.268 1.00 0.00 C ATOM 477 C GLU A 34 -0.076 4.304 1.112 1.00 0.00 C ATOM 478 O GLU A 34 -1.261 4.075 1.359 1.00 0.00 O ATOM 479 CB GLU A 34 -0.367 6.092 -0.613 1.00 0.00 C ATOM 480 CG GLU A 34 0.456 7.037 -1.472 1.00 0.00 C ATOM 481 CD GLU A 34 -0.398 8.050 -2.209 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.404 8.511 -1.632 1.00 0.00 O ATOM 483 OE2 GLU A 34 -0.059 8.382 -3.365 1.00 0.00 O ATOM 0 H GLU A 34 -0.892 3.522 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 34 1.431 4.973 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.294 5.855 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.642 6.601 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.174 7.562 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.031 6.458 -2.195 1.00 0.00 H new ATOM 490 N VAL A 35 0.892 4.147 2.009 1.00 0.00 N ATOM 491 CA VAL A 35 0.612 3.689 3.365 1.00 0.00 C ATOM 492 C VAL A 35 0.136 4.840 4.246 1.00 0.00 C ATOM 493 O VAL A 35 0.919 5.712 4.621 1.00 0.00 O ATOM 494 CB VAL A 35 1.855 3.046 4.008 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.514 2.480 5.378 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.422 1.964 3.102 1.00 0.00 C ATOM 0 H VAL A 35 1.878 4.330 1.821 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.177 2.941 3.290 1.00 0.00 H new ATOM 0 HB VAL A 35 2.616 3.816 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.404 2.030 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.156 3.282 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.737 1.722 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.300 1.520 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.668 1.193 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.705 2.402 2.145 1.00 0.00 H new ATOM 506 N ILE A 36 -1.152 4.834 4.572 1.00 0.00 N ATOM 507 CA ILE A 36 -1.732 5.876 5.410 1.00 0.00 C ATOM 508 C ILE A 36 -1.367 5.668 6.877 1.00 0.00 C ATOM 509 O ILE A 36 -0.618 6.453 7.458 1.00 0.00 O ATOM 510 CB ILE A 36 -3.265 5.918 5.275 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.664 6.191 3.823 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.849 6.978 6.199 1.00 0.00 C ATOM 513 CD1 ILE A 36 -5.127 5.932 3.539 1.00 0.00 C ATOM 0 H ILE A 36 -1.814 4.119 4.269 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.319 6.824 5.066 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.668 4.948 5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.433 7.228 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.059 5.567 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.934 6.996 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.590 6.744 7.231 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.442 7.954 5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.338 6.146 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.359 4.888 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.740 6.575 4.171 1.00 0.00 H new ATOM 525 N ARG A 37 -1.901 4.603 7.468 1.00 0.00 N ATOM 526 CA ARG A 37 -1.631 4.292 8.867 1.00 0.00 C ATOM 527 C ARG A 37 -0.962 2.927 9.000 1.00 0.00 C ATOM 528 O ARG A 37 -0.967 2.127 8.065 1.00 0.00 O ATOM 529 CB ARG A 37 -2.929 4.316 9.676 1.00 0.00 C ATOM 530 CG ARG A 37 -3.471 5.715 9.919 1.00 0.00 C ATOM 531 CD ARG A 37 -2.843 6.349 11.150 1.00 0.00 C ATOM 532 NE ARG A 37 -3.712 7.360 11.747 1.00 0.00 N ATOM 533 CZ ARG A 37 -3.538 7.848 12.971 1.00 0.00 C ATOM 534 NH1 ARG A 37 -2.533 7.420 13.722 1.00 0.00 N ATOM 535 NH2 ARG A 37 -4.370 8.766 13.445 1.00 0.00 N ATOM 0 H ARG A 37 -2.522 3.942 7.001 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.953 5.050 9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.684 3.729 9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.757 3.830 10.637 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.275 6.339 9.047 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.553 5.671 10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.627 5.575 11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.891 6.804 10.878 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.495 7.710 11.195 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.891 6.715 13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.402 7.796 14.661 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.144 9.098 12.870 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.235 9.140 14.384 1.00 0.00 H new ATOM 626 N TRP A 43 -0.560 -4.860 9.548 1.00 0.00 N ATOM 627 CA TRP A 43 -1.706 -4.261 8.872 1.00 0.00 C ATOM 628 C TRP A 43 -1.527 -2.752 8.732 1.00 0.00 C ATOM 629 O TRP A 43 -1.664 -2.010 9.704 1.00 0.00 O ATOM 630 CB TRP A 43 -2.993 -4.565 9.640 1.00 0.00 C ATOM 631 CG TRP A 43 -3.570 -5.912 9.321 1.00 0.00 C ATOM 632 CD1 TRP A 43 -3.654 -6.986 10.161 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.139 -6.327 8.076 1.00 0.00 C ATOM 634 NE1 TRP A 43 -4.243 -8.044 9.511 1.00 0.00 N ATOM 635 CE2 TRP A 43 -4.551 -7.666 8.231 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.345 -5.698 6.845 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -5.153 -8.383 7.202 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -4.942 -6.413 5.823 1.00 0.00 C ATOM 639 CH2 TRP A 43 -5.341 -7.743 6.007 1.00 0.00 C ATOM 0 HA TRP A 43 -1.776 -4.694 7.874 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.792 -4.508 10.710 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.733 -3.797 9.413 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -3.309 -7.001 11.184 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.422 -8.963 9.916 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.043 -4.672 6.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.461 -9.409 7.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.103 -5.938 4.867 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -5.806 -8.274 5.190 1.00 0.00 H new ATOM 650 N TRP A 44 -1.221 -2.308 7.519 1.00 0.00 N ATOM 651 CA TRP A 44 -1.025 -0.887 7.253 1.00 0.00 C ATOM 652 C TRP A 44 -2.053 -0.374 6.250 1.00 0.00 C ATOM 653 O TRP A 44 -1.983 -0.685 5.061 1.00 0.00 O ATOM 654 CB TRP A 44 0.388 -0.637 6.726 1.00 0.00 C ATOM 655 CG TRP A 44 1.444 -1.390 7.477 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.365 -1.857 8.758 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.740 -1.762 6.994 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.531 -2.496 9.101 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.392 -2.453 8.035 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.413 -1.582 5.782 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.680 -2.959 7.899 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.693 -2.085 5.649 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.316 -2.768 6.702 1.00 0.00 C ATOM 0 H TRP A 44 -1.103 -2.910 6.704 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.157 -0.345 8.190 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.431 -0.918 5.674 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.605 0.430 6.780 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.510 -1.741 9.407 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.725 -2.932 10.003 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.941 -1.059 4.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.162 -3.485 8.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.222 -1.949 4.717 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.317 -3.151 6.567 1.00 0.00 H new ATOM 674 N TYR A 45 -3.005 0.414 6.737 1.00 0.00 N ATOM 675 CA TYR A 45 -4.049 0.968 5.883 1.00 0.00 C ATOM 676 C TYR A 45 -3.443 1.741 4.716 1.00 0.00 C ATOM 677 O TYR A 45 -2.934 2.849 4.888 1.00 0.00 O ATOM 678 CB TYR A 45 -4.968 1.883 6.694 1.00 0.00 C ATOM 679 CG TYR A 45 -6.332 2.078 6.071 1.00 0.00 C ATOM 680 CD1 TYR A 45 -7.232 1.022 5.981 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.721 3.314 5.575 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.479 1.195 5.412 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.966 3.497 5.005 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.842 2.434 4.926 1.00 0.00 C ATOM 685 OH TYR A 45 -10.084 2.610 4.360 1.00 0.00 O ATOM 0 H TYR A 45 -3.075 0.683 7.718 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.634 0.140 5.482 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.091 1.467 7.694 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.489 2.855 6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.952 0.051 6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.038 4.148 5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.166 0.364 5.348 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.252 4.466 4.624 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.315 1.821 3.827 1.00 0.00 H new ATOM 695 N ILE A 46 -3.503 1.149 3.528 1.00 0.00 N ATOM 696 CA ILE A 46 -2.963 1.782 2.331 1.00 0.00 C ATOM 697 C ILE A 46 -4.080 2.279 1.419 1.00 0.00 C ATOM 698 O ILE A 46 -5.261 2.054 1.689 1.00 0.00 O ATOM 699 CB ILE A 46 -2.063 0.815 1.539 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.892 -0.340 0.974 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.945 0.287 2.426 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.324 -0.924 -0.301 1.00 0.00 C ATOM 0 H ILE A 46 -3.920 0.232 3.369 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.366 2.630 2.666 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.615 1.357 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.963 -1.127 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.906 0.011 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.317 -0.395 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.341 1.120 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.375 -0.243 3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.963 -1.738 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.279 -0.150 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.321 -1.305 -0.111 1.00 0.00 H new ATOM 714 N ARG A 47 -3.701 2.954 0.340 1.00 0.00 N ATOM 715 CA ARG A 47 -4.670 3.482 -0.612 1.00 0.00 C ATOM 716 C ARG A 47 -4.258 3.157 -2.045 1.00 0.00 C ATOM 717 O ARG A 47 -3.109 3.370 -2.435 1.00 0.00 O ATOM 718 CB ARG A 47 -4.811 4.996 -0.441 1.00 0.00 C ATOM 719 CG ARG A 47 -5.814 5.625 -1.395 1.00 0.00 C ATOM 720 CD ARG A 47 -5.486 7.086 -1.664 1.00 0.00 C ATOM 721 NE ARG A 47 -5.651 7.912 -0.472 1.00 0.00 N ATOM 722 CZ ARG A 47 -5.847 9.226 -0.510 1.00 0.00 C ATOM 723 NH1 ARG A 47 -5.904 9.858 -1.673 1.00 0.00 N ATOM 724 NH2 ARG A 47 -5.988 9.910 0.619 1.00 0.00 N ATOM 0 H ARG A 47 -2.728 3.149 0.103 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.632 3.009 -0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.113 5.211 0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.837 5.463 -0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.819 5.073 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.816 5.547 -0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.460 7.167 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.131 7.462 -2.458 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.614 7.456 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.797 9.336 -2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.055 10.867 -1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.946 9.427 1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.138 10.918 0.589 1.00 0.00 H new ATOM 738 N TYR A 48 -5.202 2.641 -2.824 1.00 0.00 N ATOM 739 CA TYR A 48 -4.937 2.285 -4.213 1.00 0.00 C ATOM 740 C TYR A 48 -6.196 2.423 -5.061 1.00 0.00 C ATOM 741 O TYR A 48 -7.310 2.208 -4.580 1.00 0.00 O ATOM 742 CB TYR A 48 -4.404 0.854 -4.300 1.00 0.00 C ATOM 743 CG TYR A 48 -4.335 0.318 -5.713 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.596 0.973 -6.690 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.009 -0.843 -6.070 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.531 0.489 -7.981 1.00 0.00 C ATOM 747 CE2 TYR A 48 -4.949 -1.336 -7.359 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.210 -0.667 -8.311 1.00 0.00 C ATOM 749 OH TYR A 48 -4.147 -1.154 -9.597 1.00 0.00 O ATOM 0 H TYR A 48 -6.158 2.460 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.184 2.971 -4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.408 0.819 -3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.041 0.201 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.063 1.877 -6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.590 -1.369 -5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.952 1.011 -8.729 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.478 -2.241 -7.619 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.679 -1.975 -9.662 1.00 0.00 H new ATOM 759 N LEU A 49 -6.013 2.785 -6.326 1.00 0.00 N ATOM 760 CA LEU A 49 -7.134 2.953 -7.244 1.00 0.00 C ATOM 761 C LEU A 49 -8.173 3.908 -6.666 1.00 0.00 C ATOM 762 O LEU A 49 -9.377 3.684 -6.795 1.00 0.00 O ATOM 763 CB LEU A 49 -7.780 1.599 -7.544 1.00 0.00 C ATOM 764 CG LEU A 49 -7.210 0.833 -8.739 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.693 -0.609 -8.727 1.00 0.00 C ATOM 766 CD2 LEU A 49 -7.597 1.516 -10.043 1.00 0.00 C ATOM 0 H LEU A 49 -5.099 2.968 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.752 3.380 -8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.688 0.971 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.845 1.757 -7.714 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.123 0.831 -8.661 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.278 -1.139 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.367 -1.094 -7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.781 -0.629 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.183 0.958 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.683 1.548 -10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.202 2.532 -10.053 1.00 0.00 H new ATOM 778 N GLY A 50 -7.700 4.975 -6.031 1.00 0.00 N ATOM 779 CA GLY A 50 -8.601 5.951 -5.445 1.00 0.00 C ATOM 780 C GLY A 50 -9.505 5.343 -4.389 1.00 0.00 C ATOM 781 O GLY A 50 -10.650 5.765 -4.225 1.00 0.00 O ATOM 0 H GLY A 50 -6.708 5.182 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.019 6.758 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.212 6.395 -6.231 1.00 0.00 H new ATOM 785 N LYS A 51 -8.990 4.349 -3.673 1.00 0.00 N ATOM 786 CA LYS A 51 -9.758 3.682 -2.628 1.00 0.00 C ATOM 787 C LYS A 51 -8.842 3.180 -1.517 1.00 0.00 C ATOM 788 O LYS A 51 -7.848 2.502 -1.778 1.00 0.00 O ATOM 789 CB LYS A 51 -10.551 2.513 -3.217 1.00 0.00 C ATOM 790 CG LYS A 51 -11.583 2.937 -4.247 1.00 0.00 C ATOM 791 CD LYS A 51 -12.260 1.735 -4.885 1.00 0.00 C ATOM 792 CE LYS A 51 -11.427 1.165 -6.023 1.00 0.00 C ATOM 793 NZ LYS A 51 -12.251 0.354 -6.962 1.00 0.00 N ATOM 0 H LYS A 51 -8.044 3.988 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.452 4.407 -2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.857 1.810 -3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.053 1.982 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.334 3.569 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.102 3.538 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.423 0.965 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.241 2.026 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.951 1.980 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.628 0.546 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.647 -0.016 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.685 -0.439 -6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.998 0.950 -7.372 1.00 0.00 H new ATOM 807 N GLU A 52 -9.185 3.516 -0.277 1.00 0.00 N ATOM 808 CA GLU A 52 -8.392 3.098 0.873 1.00 0.00 C ATOM 809 C GLU A 52 -8.969 1.833 1.501 1.00 0.00 C ATOM 810 O GLU A 52 -10.186 1.675 1.599 1.00 0.00 O ATOM 811 CB GLU A 52 -8.335 4.217 1.915 1.00 0.00 C ATOM 812 CG GLU A 52 -8.167 5.602 1.312 1.00 0.00 C ATOM 813 CD GLU A 52 -8.706 6.698 2.211 1.00 0.00 C ATOM 814 OE1 GLU A 52 -8.519 6.603 3.441 1.00 0.00 O ATOM 815 OE2 GLU A 52 -9.316 7.651 1.681 1.00 0.00 O ATOM 0 H GLU A 52 -10.005 4.076 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.382 2.882 0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.249 4.197 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.508 4.024 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.110 5.784 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.680 5.641 0.351 1.00 0.00 H new ATOM 822 N GLY A 53 -8.087 0.933 1.926 1.00 0.00 N ATOM 823 CA GLY A 53 -8.528 -0.306 2.537 1.00 0.00 C ATOM 824 C GLY A 53 -7.418 -1.004 3.299 1.00 0.00 C ATOM 825 O GLY A 53 -6.282 -0.530 3.326 1.00 0.00 O ATOM 0 H GLY A 53 -7.075 1.041 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.356 -0.099 3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.909 -0.973 1.764 1.00 0.00 H new ATOM 829 N TRP A 54 -7.746 -2.130 3.920 1.00 0.00 N ATOM 830 CA TRP A 54 -6.767 -2.894 4.687 1.00 0.00 C ATOM 831 C TRP A 54 -6.010 -3.866 3.789 1.00 0.00 C ATOM 832 O TRP A 54 -6.607 -4.555 2.964 1.00 0.00 O ATOM 833 CB TRP A 54 -7.459 -3.657 5.818 1.00 0.00 C ATOM 834 CG TRP A 54 -7.817 -2.791 6.987 1.00 0.00 C ATOM 835 CD1 TRP A 54 -9.071 -2.421 7.380 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.908 -2.186 7.915 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.998 -1.622 8.496 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.683 -1.463 8.844 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.518 -2.185 8.052 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -7.110 -0.748 9.892 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.952 -1.475 9.093 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.746 -0.765 10.002 1.00 0.00 C ATOM 0 H TRP A 54 -8.682 -2.535 3.908 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.051 -2.193 5.116 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.364 -4.124 5.430 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.806 -4.461 6.157 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.986 -2.713 6.886 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.794 -1.214 8.986 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.897 -2.730 7.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.721 -0.199 10.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.878 -1.467 9.208 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.273 -0.220 10.806 1.00 0.00 H new ATOM 853 N ALA A 55 -4.692 -3.915 3.957 1.00 0.00 N ATOM 854 CA ALA A 55 -3.854 -4.804 3.163 1.00 0.00 C ATOM 855 C ALA A 55 -2.650 -5.286 3.965 1.00 0.00 C ATOM 856 O ALA A 55 -2.081 -4.555 4.776 1.00 0.00 O ATOM 857 CB ALA A 55 -3.397 -4.104 1.891 1.00 0.00 C ATOM 0 H ALA A 55 -4.182 -3.349 4.636 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.449 -5.676 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.772 -4.780 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.267 -3.816 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.824 -3.214 2.151 1.00 0.00 H new ATOM 863 N PRO A 56 -2.252 -6.547 3.738 1.00 0.00 N ATOM 864 CA PRO A 56 -1.112 -7.153 4.430 1.00 0.00 C ATOM 865 C PRO A 56 0.220 -6.550 3.996 1.00 0.00 C ATOM 866 O PRO A 56 0.601 -6.641 2.828 1.00 0.00 O ATOM 867 CB PRO A 56 -1.191 -8.626 4.020 1.00 0.00 C ATOM 868 CG PRO A 56 -1.908 -8.618 2.714 1.00 0.00 C ATOM 869 CD PRO A 56 -2.883 -7.475 2.785 1.00 0.00 C ATOM 0 HA PRO A 56 -1.158 -6.992 5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.197 -9.064 3.923 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.728 -9.215 4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.211 -8.486 1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.425 -9.563 2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.030 -7.011 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.863 -7.803 3.133 1.00 0.00 H new ATOM 877 N ALA A 57 0.923 -5.935 4.941 1.00 0.00 N ATOM 878 CA ALA A 57 2.211 -5.319 4.655 1.00 0.00 C ATOM 879 C ALA A 57 3.161 -6.313 3.994 1.00 0.00 C ATOM 880 O ALA A 57 4.168 -5.925 3.402 1.00 0.00 O ATOM 881 CB ALA A 57 2.828 -4.767 5.932 1.00 0.00 C ATOM 0 H ALA A 57 0.621 -5.850 5.912 1.00 0.00 H new ATOM 0 HA ALA A 57 2.045 -4.497 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.790 -4.310 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.164 -4.018 6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.972 -5.578 6.646 1.00 0.00 H new ATOM 887 N SER A 58 2.834 -7.597 4.101 1.00 0.00 N ATOM 888 CA SER A 58 3.660 -8.647 3.517 1.00 0.00 C ATOM 889 C SER A 58 3.712 -8.517 1.998 1.00 0.00 C ATOM 890 O SER A 58 4.702 -8.883 1.366 1.00 0.00 O ATOM 891 CB SER A 58 3.120 -10.025 3.904 1.00 0.00 C ATOM 892 OG SER A 58 3.960 -11.057 3.421 1.00 0.00 O ATOM 0 H SER A 58 2.003 -7.935 4.587 1.00 0.00 H new ATOM 0 HA SER A 58 4.672 -8.538 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.039 -10.096 4.989 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.115 -10.151 3.501 1.00 0.00 H new ATOM 0 HG SER A 58 3.593 -11.927 3.683 1.00 0.00 H new ATOM 898 N TYR A 59 2.637 -7.993 1.419 1.00 0.00 N ATOM 899 CA TYR A 59 2.557 -7.816 -0.027 1.00 0.00 C ATOM 900 C TYR A 59 3.042 -6.428 -0.433 1.00 0.00 C ATOM 901 O TYR A 59 2.850 -5.999 -1.571 1.00 0.00 O ATOM 902 CB TYR A 59 1.121 -8.028 -0.508 1.00 0.00 C ATOM 903 CG TYR A 59 0.691 -9.478 -0.516 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.483 -10.167 0.672 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.497 -10.160 -1.711 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.092 -11.492 0.671 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.105 -11.483 -1.722 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.097 -12.146 -0.529 1.00 0.00 C ATOM 909 OH TYR A 59 -0.486 -13.466 -0.536 1.00 0.00 O ATOM 0 H TYR A 59 1.809 -7.683 1.928 1.00 0.00 H new ATOM 0 HA TYR A 59 3.203 -8.558 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.445 -7.461 0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.021 -7.623 -1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.630 -9.658 1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.656 -9.646 -2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.065 -12.013 1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.043 -11.997 -2.660 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.576 -13.776 -1.461 1.00 0.00 H new ATOM 919 N LEU A 60 3.673 -5.731 0.505 1.00 0.00 N ATOM 920 CA LEU A 60 4.187 -4.391 0.247 1.00 0.00 C ATOM 921 C LEU A 60 5.619 -4.249 0.756 1.00 0.00 C ATOM 922 O LEU A 60 5.992 -4.847 1.765 1.00 0.00 O ATOM 923 CB LEU A 60 3.293 -3.342 0.910 1.00 0.00 C ATOM 924 CG LEU A 60 1.786 -3.538 0.735 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.019 -2.732 1.770 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.358 -3.147 -0.673 1.00 0.00 C ATOM 0 H LEU A 60 3.841 -6.072 1.452 1.00 0.00 H new ATOM 0 HA LEU A 60 4.186 -4.231 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.516 -3.326 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.560 -2.363 0.513 1.00 0.00 H new ATOM 0 HG LEU A 60 1.556 -4.593 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.051 -2.884 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.304 -3.059 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.253 -1.674 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.283 -3.293 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.602 -2.099 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.882 -3.769 -1.399 1.00 0.00 H new ATOM 938 N LYS A 61 6.416 -3.454 0.051 1.00 0.00 N ATOM 939 CA LYS A 61 7.805 -3.230 0.432 1.00 0.00 C ATOM 940 C LYS A 61 8.168 -1.753 0.322 1.00 0.00 C ATOM 941 O LYS A 61 7.896 -1.109 -0.691 1.00 0.00 O ATOM 942 CB LYS A 61 8.737 -4.063 -0.449 1.00 0.00 C ATOM 943 CG LYS A 61 8.698 -3.671 -1.917 1.00 0.00 C ATOM 944 CD LYS A 61 9.753 -4.414 -2.720 1.00 0.00 C ATOM 945 CE LYS A 61 11.100 -3.712 -2.654 1.00 0.00 C ATOM 946 NZ LYS A 61 11.815 -4.002 -1.380 1.00 0.00 N ATOM 0 H LYS A 61 6.123 -2.954 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 61 7.925 -3.538 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.758 -3.961 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.468 -5.115 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.710 -3.885 -2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.856 -2.597 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.852 -5.431 -2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.433 -4.492 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.716 -4.028 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.954 -2.636 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.836 -4.071 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.636 -3.236 -0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.473 -4.902 -0.987 1.00 0.00 H new ATOM 960 N LYS A 62 8.787 -1.220 1.371 1.00 0.00 N ATOM 961 CA LYS A 62 9.191 0.181 1.391 1.00 0.00 C ATOM 962 C LYS A 62 10.118 0.497 0.222 1.00 0.00 C ATOM 963 O LYS A 62 11.207 -0.063 0.112 1.00 0.00 O ATOM 964 CB LYS A 62 9.888 0.512 2.712 1.00 0.00 C ATOM 965 CG LYS A 62 9.720 1.960 3.142 1.00 0.00 C ATOM 966 CD LYS A 62 10.824 2.390 4.094 1.00 0.00 C ATOM 967 CE LYS A 62 10.763 3.882 4.381 1.00 0.00 C ATOM 968 NZ LYS A 62 11.689 4.275 5.479 1.00 0.00 N ATOM 0 H LYS A 62 9.020 -1.738 2.218 1.00 0.00 H new ATOM 0 HA LYS A 62 8.294 0.793 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.495 -0.138 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.951 0.291 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.725 2.605 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.751 2.087 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.737 1.835 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.794 2.141 3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.016 4.436 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.743 4.159 4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.617 5.299 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.432 3.766 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.665 4.035 5.213 1.00 0.00 H new ATOM 982 N ALA A 63 9.677 1.399 -0.649 1.00 0.00 N ATOM 983 CA ALA A 63 10.468 1.792 -1.808 1.00 0.00 C ATOM 984 C ALA A 63 11.828 2.337 -1.385 1.00 0.00 C ATOM 985 O ALA A 63 12.117 2.457 -0.195 1.00 0.00 O ATOM 986 CB ALA A 63 9.717 2.827 -2.634 1.00 0.00 C ATOM 0 H ALA A 63 8.776 1.871 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 63 10.635 0.906 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.320 3.111 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.772 2.404 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.521 3.708 -2.022 1.00 0.00 H new