USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 42:sc= 0.0396 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.216 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0.00471 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.375 5.604 -1.712 1.00 0.00 N ATOM 67 CA LYS A 8 0.461 5.507 -0.265 1.00 0.00 C ATOM 68 C LYS A 8 1.091 4.165 0.115 1.00 0.00 C ATOM 69 O LYS A 8 1.077 3.222 -0.674 1.00 0.00 O ATOM 70 CB LYS A 8 -0.910 5.745 0.371 1.00 0.00 C ATOM 71 CG LYS A 8 -0.990 7.140 0.994 1.00 0.00 C ATOM 72 CD LYS A 8 -0.551 7.112 2.459 1.00 0.00 C ATOM 73 CE LYS A 8 -1.391 8.075 3.301 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.712 7.480 3.604 1.00 0.00 N ATOM 0 HA LYS A 8 1.110 6.288 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.689 5.634 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.097 4.990 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.358 7.829 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.011 7.516 0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.648 6.100 2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.502 7.383 2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.868 8.307 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.523 9.015 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.270 8.146 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.215 7.281 2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.581 6.595 4.134 1.00 0.00 H new ATOM 88 N TYR A 9 1.629 4.122 1.326 1.00 0.00 N ATOM 89 CA TYR A 9 2.263 2.912 1.820 1.00 0.00 C ATOM 90 C TYR A 9 1.794 2.589 3.241 1.00 0.00 C ATOM 91 O TYR A 9 1.042 3.356 3.839 1.00 0.00 O ATOM 92 CB TYR A 9 3.765 3.202 1.845 1.00 0.00 C ATOM 93 CG TYR A 9 4.376 3.435 0.462 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.435 2.400 -0.450 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.868 4.679 0.125 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.010 2.619 -1.752 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.443 4.899 -1.176 1.00 0.00 C ATOM 98 CZ TYR A 9 5.486 3.858 -2.051 1.00 0.00 C ATOM 99 OH TYR A 9 6.029 4.065 -3.280 1.00 0.00 O ATOM 0 H TYR A 9 1.639 4.906 1.979 1.00 0.00 H new ATOM 0 HA TYR A 9 2.013 2.061 1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.945 4.081 2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.278 2.367 2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.050 1.426 -0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.822 5.489 0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.062 1.818 -2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.831 5.868 -1.451 1.00 0.00 H new ATOM 0 HH TYR A 9 6.326 4.996 -3.354 1.00 0.00 H new ATOM 109 N VAL A 10 2.260 1.453 3.739 1.00 0.00 N ATOM 110 CA VAL A 10 1.898 1.020 5.078 1.00 0.00 C ATOM 111 C VAL A 10 3.129 0.430 5.768 1.00 0.00 C ATOM 112 O VAL A 10 3.844 -0.382 5.183 1.00 0.00 O ATOM 113 CB VAL A 10 0.723 0.042 5.012 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.194 -1.353 4.594 1.00 0.00 C ATOM 115 CG2 VAL A 10 -0.024 -0.009 6.346 1.00 0.00 C ATOM 0 H VAL A 10 2.885 0.820 3.240 1.00 0.00 H new ATOM 0 HA VAL A 10 1.564 1.868 5.677 1.00 0.00 H new ATOM 0 HB VAL A 10 0.029 0.403 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.340 -2.029 4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.660 -1.300 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.918 -1.725 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.854 -0.711 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.657 -0.334 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.408 0.982 6.586 1.00 0.00 H new ATOM 125 N LYS A 11 3.339 0.861 7.004 1.00 0.00 N ATOM 126 CA LYS A 11 4.472 0.385 7.780 1.00 0.00 C ATOM 127 C LYS A 11 4.015 -0.751 8.697 1.00 0.00 C ATOM 128 O LYS A 11 3.188 -0.544 9.583 1.00 0.00 O ATOM 129 CB LYS A 11 5.137 1.545 8.523 1.00 0.00 C ATOM 130 CG LYS A 11 5.987 1.035 9.688 1.00 0.00 C ATOM 131 CD LYS A 11 7.258 1.871 9.847 1.00 0.00 C ATOM 132 CE LYS A 11 8.217 1.226 10.851 1.00 0.00 C ATOM 133 NZ LYS A 11 8.953 2.265 11.605 1.00 0.00 N ATOM 0 H LYS A 11 2.744 1.534 7.487 1.00 0.00 H new ATOM 0 HA LYS A 11 5.239 -0.024 7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.762 2.113 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.374 2.227 8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.406 1.071 10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.253 -0.009 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.753 1.975 8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.998 2.875 10.181 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.659 0.594 11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.922 0.581 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.599 1.811 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.501 2.851 10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.277 2.864 12.121 1.00 0.00 H new ATOM 147 N ILE A 12 4.573 -1.928 8.451 1.00 0.00 N ATOM 148 CA ILE A 12 4.234 -3.097 9.243 1.00 0.00 C ATOM 149 C ILE A 12 4.661 -2.866 10.695 1.00 0.00 C ATOM 150 O ILE A 12 5.808 -2.510 10.959 1.00 0.00 O ATOM 151 CB ILE A 12 4.833 -4.359 8.620 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.430 -4.489 7.149 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.456 -5.602 9.428 1.00 0.00 C ATOM 154 CD1 ILE A 12 2.909 -4.441 6.991 1.00 0.00 C ATOM 0 H ILE A 12 5.258 -2.096 7.714 1.00 0.00 H new ATOM 0 HA ILE A 12 3.155 -3.253 9.248 1.00 0.00 H new ATOM 0 HB ILE A 12 5.919 -4.272 8.651 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.885 -3.684 6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.812 -5.427 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.895 -6.485 8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.833 -5.502 10.446 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.371 -5.705 9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.650 -4.535 5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.459 -5.261 7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.533 -3.492 7.374 1.00 0.00 H new ATOM 166 N LEU A 13 3.714 -3.079 11.597 1.00 0.00 N ATOM 167 CA LEU A 13 3.978 -2.898 13.014 1.00 0.00 C ATOM 168 C LEU A 13 4.445 -4.225 13.615 1.00 0.00 C ATOM 169 O LEU A 13 5.206 -4.240 14.581 1.00 0.00 O ATOM 170 CB LEU A 13 2.755 -2.303 13.715 1.00 0.00 C ATOM 171 CG LEU A 13 2.289 -0.937 13.207 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.061 -0.454 13.981 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.430 0.081 13.248 1.00 0.00 C ATOM 0 H LEU A 13 2.764 -3.375 11.374 1.00 0.00 H new ATOM 0 HA LEU A 13 4.784 -2.179 13.162 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.928 -3.006 13.618 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.977 -2.217 14.779 1.00 0.00 H new ATOM 0 HG LEU A 13 1.990 -1.044 12.164 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.750 0.519 13.600 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.248 -1.169 13.856 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.309 -0.367 15.039 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.072 1.043 12.882 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.783 0.191 14.273 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.249 -0.265 12.618 1.00 0.00 H new ATOM 185 N TYR A 14 3.970 -5.309 13.018 1.00 0.00 N ATOM 186 CA TYR A 14 4.330 -6.638 13.482 1.00 0.00 C ATOM 187 C TYR A 14 4.628 -7.567 12.304 1.00 0.00 C ATOM 188 O TYR A 14 3.996 -7.467 11.253 1.00 0.00 O ATOM 189 CB TYR A 14 3.108 -7.166 14.236 1.00 0.00 C ATOM 190 CG TYR A 14 2.797 -6.405 15.527 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.584 -6.592 16.645 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.730 -5.531 15.572 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.291 -5.875 17.859 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.437 -4.814 16.786 1.00 0.00 C ATOM 195 CZ TYR A 14 2.232 -5.022 17.870 1.00 0.00 C ATOM 196 OH TYR A 14 1.955 -4.346 19.017 1.00 0.00 O ATOM 0 H TYR A 14 3.339 -5.294 12.217 1.00 0.00 H new ATOM 0 HA TYR A 14 5.222 -6.598 14.107 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.239 -7.117 13.579 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.268 -8.217 14.475 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.419 -7.276 16.610 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.115 -5.385 14.697 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.899 -6.012 18.741 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.605 -4.127 16.835 1.00 0.00 H new ATOM 0 HH TYR A 14 1.173 -3.773 18.878 1.00 0.00 H new ATOM 206 N ASP A 15 5.591 -8.452 12.518 1.00 0.00 N ATOM 207 CA ASP A 15 5.980 -9.399 11.487 1.00 0.00 C ATOM 208 C ASP A 15 4.877 -10.444 11.318 1.00 0.00 C ATOM 209 O ASP A 15 4.504 -11.120 12.276 1.00 0.00 O ATOM 210 CB ASP A 15 7.269 -10.129 11.869 1.00 0.00 C ATOM 211 CG ASP A 15 7.341 -10.597 13.324 1.00 0.00 C ATOM 212 OD1 ASP A 15 6.591 -11.541 13.654 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.144 -10.000 14.073 1.00 0.00 O ATOM 0 H ASP A 15 6.113 -8.533 13.390 1.00 0.00 H new ATOM 0 HA ASP A 15 6.140 -8.844 10.562 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.384 -10.996 11.218 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.114 -9.469 11.673 1.00 0.00 H new ATOM 218 N PHE A 16 4.384 -10.546 10.092 1.00 0.00 N ATOM 219 CA PHE A 16 3.331 -11.498 9.785 1.00 0.00 C ATOM 220 C PHE A 16 3.799 -12.518 8.745 1.00 0.00 C ATOM 221 O PHE A 16 4.457 -12.158 7.770 1.00 0.00 O ATOM 222 CB PHE A 16 2.161 -10.699 9.207 1.00 0.00 C ATOM 223 CG PHE A 16 0.908 -11.536 8.939 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.192 -12.041 9.979 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.510 -11.774 7.660 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.971 -12.817 9.731 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.653 -12.551 7.412 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.368 -13.056 8.452 1.00 0.00 C ATOM 0 H PHE A 16 4.695 -9.984 9.299 1.00 0.00 H new ATOM 0 HA PHE A 16 3.047 -12.042 10.686 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.907 -9.895 9.897 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.479 -10.231 8.275 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.508 -11.852 10.994 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.078 -11.372 6.834 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.540 -13.217 10.557 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.969 -12.741 6.397 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.252 -13.647 8.263 1.00 0.00 H new ATOM 238 N THR A 17 3.442 -13.770 8.989 1.00 0.00 N ATOM 239 CA THR A 17 3.818 -14.845 8.086 1.00 0.00 C ATOM 240 C THR A 17 2.614 -15.285 7.250 1.00 0.00 C ATOM 241 O THR A 17 1.731 -15.982 7.747 1.00 0.00 O ATOM 242 CB THR A 17 4.423 -15.975 8.922 1.00 0.00 C ATOM 243 OG1 THR A 17 5.601 -15.401 9.481 1.00 0.00 O ATOM 244 CG2 THR A 17 4.942 -17.127 8.060 1.00 0.00 C ATOM 0 H THR A 17 2.896 -14.064 9.799 1.00 0.00 H new ATOM 0 HA THR A 17 4.569 -14.514 7.368 1.00 0.00 H new ATOM 0 HB THR A 17 3.674 -16.352 9.619 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.055 -16.066 10.040 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.361 -17.902 8.702 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.121 -17.544 7.477 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.715 -16.758 7.386 1.00 0.00 H new ATOM 252 N ALA A 18 2.618 -14.858 5.996 1.00 0.00 N ATOM 253 CA ALA A 18 1.537 -15.199 5.087 1.00 0.00 C ATOM 254 C ALA A 18 1.212 -16.688 5.223 1.00 0.00 C ATOM 255 O ALA A 18 2.040 -17.540 4.903 1.00 0.00 O ATOM 256 CB ALA A 18 1.932 -14.817 3.658 1.00 0.00 C ATOM 0 H ALA A 18 3.352 -14.279 5.588 1.00 0.00 H new ATOM 0 HA ALA A 18 0.635 -14.640 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.121 -15.073 2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.124 -13.745 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.832 -15.361 3.372 1.00 0.00 H new ATOM 324 N GLU A 23 -2.182 -14.490 1.072 1.00 0.00 N ATOM 325 CA GLU A 23 -1.604 -13.635 2.094 1.00 0.00 C ATOM 326 C GLU A 23 -0.176 -13.241 1.711 1.00 0.00 C ATOM 327 O GLU A 23 0.501 -13.971 0.990 1.00 0.00 O ATOM 328 CB GLU A 23 -1.635 -14.318 3.463 1.00 0.00 C ATOM 329 CG GLU A 23 -3.064 -14.389 4.007 1.00 0.00 C ATOM 330 CD GLU A 23 -3.067 -14.753 5.493 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.261 -15.634 5.864 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.874 -14.141 6.226 1.00 0.00 O ATOM 0 HA GLU A 23 -2.205 -12.728 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.223 -15.324 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.003 -13.770 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.560 -13.429 3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.634 -15.130 3.446 1.00 0.00 H new ATOM 339 N LEU A 24 0.239 -12.086 2.211 1.00 0.00 N ATOM 340 CA LEU A 24 1.574 -11.586 1.931 1.00 0.00 C ATOM 341 C LEU A 24 2.427 -11.682 3.197 1.00 0.00 C ATOM 342 O LEU A 24 1.959 -11.366 4.290 1.00 0.00 O ATOM 343 CB LEU A 24 1.505 -10.176 1.341 1.00 0.00 C ATOM 344 CG LEU A 24 2.695 -9.750 0.478 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.545 -10.264 -0.955 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.892 -8.234 0.526 1.00 0.00 C ATOM 0 H LEU A 24 -0.326 -11.482 2.808 1.00 0.00 H new ATOM 0 HA LEU A 24 2.059 -12.201 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.599 -10.100 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.404 -9.465 2.161 1.00 0.00 H new ATOM 0 HG LEU A 24 3.596 -10.205 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.404 -9.947 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.491 -11.353 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.633 -9.859 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.744 -7.958 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.995 -7.739 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.077 -7.924 1.554 1.00 0.00 H new ATOM 358 N SER A 25 3.664 -12.118 3.008 1.00 0.00 N ATOM 359 CA SER A 25 4.586 -12.259 4.122 1.00 0.00 C ATOM 360 C SER A 25 5.402 -10.976 4.292 1.00 0.00 C ATOM 361 O SER A 25 6.109 -10.560 3.376 1.00 0.00 O ATOM 362 CB SER A 25 5.517 -13.456 3.918 1.00 0.00 C ATOM 363 OG SER A 25 6.047 -13.501 2.596 1.00 0.00 O ATOM 0 H SER A 25 4.049 -12.378 2.100 1.00 0.00 H new ATOM 0 HA SER A 25 4.004 -12.435 5.027 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.336 -13.405 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.972 -14.378 4.122 1.00 0.00 H new ATOM 0 HG SER A 25 6.294 -12.596 2.312 1.00 0.00 H new ATOM 369 N VAL A 26 5.275 -10.384 5.471 1.00 0.00 N ATOM 370 CA VAL A 26 5.992 -9.157 5.773 1.00 0.00 C ATOM 371 C VAL A 26 6.651 -9.281 7.148 1.00 0.00 C ATOM 372 O VAL A 26 6.349 -10.204 7.903 1.00 0.00 O ATOM 373 CB VAL A 26 5.045 -7.959 5.670 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.503 -7.810 4.247 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.903 -8.075 6.682 1.00 0.00 C ATOM 0 H VAL A 26 4.686 -10.731 6.228 1.00 0.00 H new ATOM 0 HA VAL A 26 6.787 -8.990 5.046 1.00 0.00 H new ATOM 0 HB VAL A 26 5.614 -7.060 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.833 -6.952 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.332 -7.660 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.957 -8.712 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.245 -7.211 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.337 -8.986 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.313 -8.110 7.691 1.00 0.00 H new ATOM 385 N LEU A 27 7.538 -8.339 7.431 1.00 0.00 N ATOM 386 CA LEU A 27 8.242 -8.331 8.702 1.00 0.00 C ATOM 387 C LEU A 27 7.967 -7.011 9.424 1.00 0.00 C ATOM 388 O LEU A 27 7.258 -6.151 8.905 1.00 0.00 O ATOM 389 CB LEU A 27 9.730 -8.619 8.491 1.00 0.00 C ATOM 390 CG LEU A 27 10.120 -10.095 8.388 1.00 0.00 C ATOM 391 CD1 LEU A 27 11.532 -10.250 7.820 1.00 0.00 C ATOM 392 CD2 LEU A 27 9.965 -10.798 9.738 1.00 0.00 C ATOM 0 H LEU A 27 7.786 -7.575 6.802 1.00 0.00 H new ATOM 0 HA LEU A 27 7.875 -9.129 9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.052 -8.114 7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.286 -8.173 9.316 1.00 0.00 H new ATOM 0 HG LEU A 27 9.437 -10.581 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.785 -11.308 7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.575 -9.807 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.244 -9.745 8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.249 -11.846 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.609 -10.317 10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.927 -10.733 10.065 1.00 0.00 H new ATOM 404 N LYS A 28 8.543 -6.892 10.612 1.00 0.00 N ATOM 405 CA LYS A 28 8.369 -5.692 11.411 1.00 0.00 C ATOM 406 C LYS A 28 9.344 -4.616 10.927 1.00 0.00 C ATOM 407 O LYS A 28 10.503 -4.909 10.638 1.00 0.00 O ATOM 408 CB LYS A 28 8.500 -6.016 12.901 1.00 0.00 C ATOM 409 CG LYS A 28 8.430 -4.743 13.747 1.00 0.00 C ATOM 410 CD LYS A 28 9.308 -4.865 14.994 1.00 0.00 C ATOM 411 CE LYS A 28 9.452 -3.514 15.697 1.00 0.00 C ATOM 412 NZ LYS A 28 9.437 -3.689 17.167 1.00 0.00 N ATOM 0 H LYS A 28 9.131 -7.608 11.040 1.00 0.00 H new ATOM 0 HA LYS A 28 7.363 -5.292 11.283 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.705 -6.699 13.199 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.445 -6.527 13.084 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.753 -3.889 13.152 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.398 -4.554 14.042 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.873 -5.591 15.680 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.292 -5.241 14.715 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.383 -3.036 15.391 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.640 -2.852 15.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.536 -2.762 17.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.538 -4.125 17.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.227 -4.303 17.452 1.00 0.00 H new ATOM 426 N ASP A 29 8.838 -3.394 10.854 1.00 0.00 N ATOM 427 CA ASP A 29 9.649 -2.273 10.411 1.00 0.00 C ATOM 428 C ASP A 29 9.754 -2.298 8.885 1.00 0.00 C ATOM 429 O ASP A 29 10.698 -1.753 8.315 1.00 0.00 O ATOM 430 CB ASP A 29 11.066 -2.358 10.984 1.00 0.00 C ATOM 431 CG ASP A 29 11.149 -2.838 12.434 1.00 0.00 C ATOM 432 OD1 ASP A 29 10.344 -2.332 13.246 1.00 0.00 O ATOM 433 OD2 ASP A 29 12.015 -3.699 12.698 1.00 0.00 O ATOM 0 H ASP A 29 7.876 -3.155 11.094 1.00 0.00 H new ATOM 0 HA ASP A 29 9.174 -1.355 10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.654 -3.031 10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.529 -1.374 10.916 1.00 0.00 H new ATOM 438 N GLU A 30 8.772 -2.937 8.266 1.00 0.00 N ATOM 439 CA GLU A 30 8.742 -3.040 6.817 1.00 0.00 C ATOM 440 C GLU A 30 7.668 -2.115 6.241 1.00 0.00 C ATOM 441 O GLU A 30 6.764 -1.686 6.957 1.00 0.00 O ATOM 442 CB GLU A 30 8.515 -4.487 6.375 1.00 0.00 C ATOM 443 CG GLU A 30 9.843 -5.180 6.063 1.00 0.00 C ATOM 444 CD GLU A 30 9.625 -6.411 5.180 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.534 -6.489 4.575 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.554 -7.245 5.131 1.00 0.00 O ATOM 0 H GLU A 30 7.991 -3.389 8.742 1.00 0.00 H new ATOM 0 HA GLU A 30 9.711 -2.724 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.992 -5.033 7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.875 -4.505 5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.513 -4.482 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.330 -5.476 6.992 1.00 0.00 H new ATOM 453 N VAL A 31 7.803 -1.834 4.953 1.00 0.00 N ATOM 454 CA VAL A 31 6.855 -0.968 4.273 1.00 0.00 C ATOM 455 C VAL A 31 6.445 -1.610 2.946 1.00 0.00 C ATOM 456 O VAL A 31 7.283 -1.825 2.071 1.00 0.00 O ATOM 457 CB VAL A 31 7.453 0.430 4.101 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.530 1.322 3.269 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.755 1.067 5.459 1.00 0.00 C ATOM 0 H VAL A 31 8.554 -2.191 4.363 1.00 0.00 H new ATOM 0 HA VAL A 31 5.951 -0.849 4.870 1.00 0.00 H new ATOM 0 HB VAL A 31 8.395 0.328 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.978 2.310 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.388 0.879 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.565 1.414 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.179 2.060 5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.833 1.149 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.468 0.446 6.002 1.00 0.00 H new ATOM 469 N LEU A 32 5.156 -1.898 2.837 1.00 0.00 N ATOM 470 CA LEU A 32 4.625 -2.511 1.632 1.00 0.00 C ATOM 471 C LEU A 32 3.846 -1.464 0.833 1.00 0.00 C ATOM 472 O LEU A 32 3.732 -0.315 1.255 1.00 0.00 O ATOM 473 CB LEU A 32 3.805 -3.755 1.980 1.00 0.00 C ATOM 474 CG LEU A 32 4.582 -4.921 2.593 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.656 -5.431 1.630 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.168 -4.535 3.953 1.00 0.00 C ATOM 0 H LEU A 32 4.464 -1.718 3.564 1.00 0.00 H new ATOM 0 HA LEU A 32 5.436 -2.861 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.018 -3.464 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.315 -4.108 1.073 1.00 0.00 H new ATOM 0 HG LEU A 32 3.886 -5.743 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.194 -6.260 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.186 -5.771 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.355 -4.626 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.715 -5.382 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.845 -3.690 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.361 -4.258 4.631 1.00 0.00 H new ATOM 488 N GLU A 33 3.331 -1.900 -0.307 1.00 0.00 N ATOM 489 CA GLU A 33 2.566 -1.014 -1.169 1.00 0.00 C ATOM 490 C GLU A 33 1.079 -1.369 -1.108 1.00 0.00 C ATOM 491 O GLU A 33 0.690 -2.489 -1.435 1.00 0.00 O ATOM 492 CB GLU A 33 3.084 -1.067 -2.607 1.00 0.00 C ATOM 493 CG GLU A 33 2.193 -0.246 -3.541 1.00 0.00 C ATOM 494 CD GLU A 33 3.010 0.369 -4.679 1.00 0.00 C ATOM 495 OE1 GLU A 33 4.185 0.706 -4.416 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.442 0.488 -5.786 1.00 0.00 O ATOM 0 H GLU A 33 3.428 -2.854 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 33 2.691 0.008 -0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.105 -0.686 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.118 -2.102 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.409 -0.882 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.698 0.544 -2.976 1.00 0.00 H new ATOM 503 N VAL A 34 0.287 -0.394 -0.687 1.00 0.00 N ATOM 504 CA VAL A 34 -1.149 -0.589 -0.579 1.00 0.00 C ATOM 505 C VAL A 34 -1.775 -0.515 -1.973 1.00 0.00 C ATOM 506 O VAL A 34 -1.477 0.396 -2.744 1.00 0.00 O ATOM 507 CB VAL A 34 -1.743 0.427 0.398 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.756 1.831 -0.211 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.147 0.008 0.839 1.00 0.00 C ATOM 0 H VAL A 34 0.613 0.534 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.371 -1.576 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.107 0.451 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.183 2.534 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.737 2.133 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.358 1.828 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.546 0.748 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.797 -0.059 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.099 -0.963 1.332 1.00 0.00 H new ATOM 519 N LEU A 35 -2.632 -1.486 -2.254 1.00 0.00 N ATOM 520 CA LEU A 35 -3.303 -1.542 -3.542 1.00 0.00 C ATOM 521 C LEU A 35 -4.814 -1.423 -3.330 1.00 0.00 C ATOM 522 O LEU A 35 -5.482 -0.655 -4.021 1.00 0.00 O ATOM 523 CB LEU A 35 -2.886 -2.798 -4.309 1.00 0.00 C ATOM 524 CG LEU A 35 -1.456 -3.287 -4.070 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.249 -4.684 -4.656 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.436 -2.282 -4.609 1.00 0.00 C ATOM 0 H LEU A 35 -2.877 -2.240 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.001 -0.701 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.572 -3.603 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.010 -2.606 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.296 -3.363 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.224 -5.007 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.940 -5.382 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.435 -4.659 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.572 -2.654 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.586 -2.151 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.567 -1.325 -4.104 1.00 0.00 H new ATOM 538 N GLU A 36 -5.308 -2.195 -2.373 1.00 0.00 N ATOM 539 CA GLU A 36 -6.727 -2.186 -2.062 1.00 0.00 C ATOM 540 C GLU A 36 -6.943 -1.899 -0.575 1.00 0.00 C ATOM 541 O GLU A 36 -6.399 -2.597 0.280 1.00 0.00 O ATOM 542 CB GLU A 36 -7.385 -3.506 -2.468 1.00 0.00 C ATOM 543 CG GLU A 36 -8.171 -3.349 -3.771 1.00 0.00 C ATOM 544 CD GLU A 36 -9.214 -4.458 -3.919 1.00 0.00 C ATOM 545 OE1 GLU A 36 -9.977 -4.654 -2.948 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.226 -5.086 -5.000 1.00 0.00 O ATOM 0 H GLU A 36 -4.750 -2.831 -1.803 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.200 -1.390 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.622 -4.274 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.053 -3.843 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.664 -2.377 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.486 -3.374 -4.618 1.00 0.00 H new ATOM 553 N ASP A 37 -7.737 -0.872 -0.312 1.00 0.00 N ATOM 554 CA ASP A 37 -8.031 -0.485 1.058 1.00 0.00 C ATOM 555 C ASP A 37 -9.533 -0.232 1.200 1.00 0.00 C ATOM 556 O ASP A 37 -10.265 -0.244 0.211 1.00 0.00 O ATOM 557 CB ASP A 37 -7.297 0.803 1.436 1.00 0.00 C ATOM 558 CG ASP A 37 -7.991 2.095 1.000 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.347 2.172 -0.196 1.00 0.00 O ATOM 560 OD2 ASP A 37 -8.149 2.976 1.872 1.00 0.00 O ATOM 0 H ASP A 37 -8.186 -0.296 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.705 -1.292 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.168 0.825 2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.300 0.778 0.996 1.00 0.00 H new ATOM 565 N GLY A 38 -9.949 -0.009 2.438 1.00 0.00 N ATOM 566 CA GLY A 38 -11.350 0.246 2.723 1.00 0.00 C ATOM 567 C GLY A 38 -12.060 -1.032 3.176 1.00 0.00 C ATOM 568 O GLY A 38 -13.175 -0.977 3.691 1.00 0.00 O ATOM 0 H GLY A 38 -9.339 0.000 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.434 1.007 3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.839 0.642 1.833 1.00 0.00 H new ATOM 572 N ARG A 39 -11.383 -2.151 2.967 1.00 0.00 N ATOM 573 CA ARG A 39 -11.935 -3.441 3.347 1.00 0.00 C ATOM 574 C ARG A 39 -11.200 -3.993 4.570 1.00 0.00 C ATOM 575 O ARG A 39 -10.132 -3.501 4.931 1.00 0.00 O ATOM 576 CB ARG A 39 -11.826 -4.446 2.199 1.00 0.00 C ATOM 577 CG ARG A 39 -13.175 -5.116 1.927 1.00 0.00 C ATOM 578 CD ARG A 39 -12.988 -6.454 1.209 1.00 0.00 C ATOM 579 NE ARG A 39 -13.875 -6.521 0.026 1.00 0.00 N ATOM 580 CZ ARG A 39 -15.211 -6.426 0.081 1.00 0.00 C ATOM 581 NH1 ARG A 39 -15.822 -6.259 1.262 1.00 0.00 N ATOM 582 NH2 ARG A 39 -15.935 -6.498 -1.043 1.00 0.00 N ATOM 0 H ARG A 39 -10.458 -2.192 2.540 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.988 -3.294 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.480 -3.939 1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.082 -5.204 2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.702 -5.275 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.796 -4.457 1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.949 -6.569 0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.212 -7.276 1.889 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.442 -6.647 -0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.270 -6.204 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.839 -6.187 1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.470 -6.625 -1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.952 -6.426 -1.000 1.00 0.00 H new ATOM 596 N GLN A 40 -11.801 -5.007 5.174 1.00 0.00 N ATOM 597 CA GLN A 40 -11.217 -5.630 6.350 1.00 0.00 C ATOM 598 C GLN A 40 -9.698 -5.729 6.199 1.00 0.00 C ATOM 599 O GLN A 40 -8.962 -4.902 6.736 1.00 0.00 O ATOM 600 CB GLN A 40 -11.834 -7.008 6.603 1.00 0.00 C ATOM 601 CG GLN A 40 -12.503 -7.065 7.978 1.00 0.00 C ATOM 602 CD GLN A 40 -14.010 -6.827 7.864 1.00 0.00 C ATOM 603 OE1 GLN A 40 -14.800 -7.747 7.728 1.00 0.00 O ATOM 604 NE2 GLN A 40 -14.362 -5.547 7.928 1.00 0.00 N ATOM 0 H GLN A 40 -12.686 -5.413 4.871 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.436 -5.005 7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.568 -7.230 5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.061 -7.774 6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.318 -8.036 8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.061 -6.314 8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.649 -4.827 8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.346 -5.285 7.863 1.00 0.00 H new ATOM 613 N TRP A 41 -9.273 -6.747 5.465 1.00 0.00 N ATOM 614 CA TRP A 41 -7.855 -6.964 5.237 1.00 0.00 C ATOM 615 C TRP A 41 -7.457 -6.202 3.971 1.00 0.00 C ATOM 616 O TRP A 41 -8.193 -6.202 2.985 1.00 0.00 O ATOM 617 CB TRP A 41 -7.534 -8.458 5.159 1.00 0.00 C ATOM 618 CG TRP A 41 -7.589 -9.177 6.509 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.516 -9.059 7.469 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.635 -10.136 7.012 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.231 -9.869 8.550 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.050 -10.544 8.263 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.460 -10.642 6.429 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.349 -11.476 9.037 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -4.770 -11.572 7.215 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.175 -11.993 8.477 1.00 0.00 C ATOM 0 H TRP A 41 -9.886 -7.430 5.021 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.268 -6.583 6.073 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.237 -8.935 4.476 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.539 -8.584 4.732 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.378 -8.412 7.405 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.785 -9.956 9.402 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.117 -10.337 5.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.695 -11.780 10.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.860 -11.992 6.813 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.586 -12.716 9.023 1.00 0.00 H new ATOM 637 N TRP A 42 -6.295 -5.569 4.040 1.00 0.00 N ATOM 638 CA TRP A 42 -5.791 -4.804 2.912 1.00 0.00 C ATOM 639 C TRP A 42 -4.920 -5.732 2.063 1.00 0.00 C ATOM 640 O TRP A 42 -4.402 -6.731 2.561 1.00 0.00 O ATOM 641 CB TRP A 42 -5.048 -3.554 3.386 1.00 0.00 C ATOM 642 CG TRP A 42 -5.864 -2.663 4.326 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.142 -2.812 4.700 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.402 -1.473 4.999 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.536 -1.809 5.561 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.445 -0.969 5.749 1.00 0.00 C ATOM 647 CE3 TRP A 42 -4.145 -0.844 4.975 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.337 0.187 6.531 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -4.054 0.310 5.762 1.00 0.00 C ATOM 650 CH2 TRP A 42 -5.094 0.831 6.523 1.00 0.00 C ATOM 0 H TRP A 42 -5.688 -5.570 4.860 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.612 -4.438 2.296 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.133 -3.859 3.894 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.750 -2.969 2.516 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.783 -3.616 4.369 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.459 -1.703 5.982 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.315 -1.221 4.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.168 0.562 7.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.109 0.832 5.779 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.944 1.728 7.105 1.00 0.00 H new ATOM 661 N LYS A 43 -4.784 -5.369 0.797 1.00 0.00 N ATOM 662 CA LYS A 43 -3.984 -6.156 -0.126 1.00 0.00 C ATOM 663 C LYS A 43 -2.717 -5.378 -0.489 1.00 0.00 C ATOM 664 O LYS A 43 -2.753 -4.485 -1.335 1.00 0.00 O ATOM 665 CB LYS A 43 -4.818 -6.571 -1.339 1.00 0.00 C ATOM 666 CG LYS A 43 -4.111 -7.664 -2.144 1.00 0.00 C ATOM 667 CD LYS A 43 -4.748 -7.828 -3.525 1.00 0.00 C ATOM 668 CE LYS A 43 -3.963 -8.827 -4.376 1.00 0.00 C ATOM 669 NZ LYS A 43 -4.885 -9.660 -5.181 1.00 0.00 N ATOM 0 H LYS A 43 -5.215 -4.540 0.388 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.664 -7.085 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.792 -6.931 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.997 -5.704 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.056 -7.414 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.160 -8.609 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.778 -8.168 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.783 -6.863 -4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.277 -8.293 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.356 -9.464 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.335 -10.333 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.522 -10.184 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.446 -9.049 -5.809 1.00 0.00 H new ATOM 683 N LEU A 44 -1.627 -5.744 0.170 1.00 0.00 N ATOM 684 CA LEU A 44 -0.352 -5.091 -0.072 1.00 0.00 C ATOM 685 C LEU A 44 0.444 -5.901 -1.098 1.00 0.00 C ATOM 686 O LEU A 44 0.097 -7.043 -1.397 1.00 0.00 O ATOM 687 CB LEU A 44 0.393 -4.865 1.245 1.00 0.00 C ATOM 688 CG LEU A 44 -0.391 -4.142 2.343 1.00 0.00 C ATOM 689 CD1 LEU A 44 -0.781 -2.731 1.900 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.606 -4.963 2.779 1.00 0.00 C ATOM 0 H LEU A 44 -1.601 -6.484 0.871 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.506 -4.100 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.711 -5.834 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.297 -4.293 1.035 1.00 0.00 H new ATOM 0 HG LEU A 44 0.257 -4.038 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.337 -2.240 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.119 -2.157 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.403 -2.789 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.146 -4.427 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.265 -5.120 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.274 -5.928 3.164 1.00 0.00 H new ATOM 702 N ARG A 45 1.497 -5.279 -1.608 1.00 0.00 N ATOM 703 CA ARG A 45 2.345 -5.928 -2.593 1.00 0.00 C ATOM 704 C ARG A 45 3.819 -5.746 -2.226 1.00 0.00 C ATOM 705 O ARG A 45 4.252 -4.638 -1.910 1.00 0.00 O ATOM 706 CB ARG A 45 2.100 -5.358 -3.991 1.00 0.00 C ATOM 707 CG ARG A 45 3.011 -6.026 -5.023 1.00 0.00 C ATOM 708 CD ARG A 45 3.417 -5.037 -6.118 1.00 0.00 C ATOM 709 NE ARG A 45 4.198 -3.925 -5.531 1.00 0.00 N ATOM 710 CZ ARG A 45 4.686 -2.895 -6.237 1.00 0.00 C ATOM 711 NH1 ARG A 45 4.477 -2.830 -7.559 1.00 0.00 N ATOM 712 NH2 ARG A 45 5.383 -1.931 -5.620 1.00 0.00 N ATOM 0 H ARG A 45 1.782 -4.332 -1.357 1.00 0.00 H new ATOM 0 HA ARG A 45 2.097 -6.989 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.057 -5.507 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.278 -4.283 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.902 -6.414 -4.530 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.498 -6.878 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.009 -5.546 -6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.529 -4.646 -6.614 1.00 0.00 H new ATOM 0 HE ARG A 45 4.376 -3.944 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.947 -3.564 -8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.848 -2.046 -8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.542 -1.981 -4.614 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.755 -1.147 -6.157 1.00 0.00 H new ATOM 726 N SER A 46 4.550 -6.849 -2.281 1.00 0.00 N ATOM 727 CA SER A 46 5.967 -6.825 -1.959 1.00 0.00 C ATOM 728 C SER A 46 6.776 -6.407 -3.188 1.00 0.00 C ATOM 729 O SER A 46 6.247 -6.359 -4.298 1.00 0.00 O ATOM 730 CB SER A 46 6.440 -8.189 -1.452 1.00 0.00 C ATOM 731 OG SER A 46 6.683 -9.101 -2.520 1.00 0.00 O ATOM 0 H SER A 46 4.188 -7.766 -2.544 1.00 0.00 H new ATOM 0 HA SER A 46 6.124 -6.097 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.352 -8.063 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.689 -8.607 -0.782 1.00 0.00 H new ATOM 0 HG SER A 46 6.985 -9.959 -2.155 1.00 0.00 H new ATOM 737 N ARG A 47 8.046 -6.114 -2.950 1.00 0.00 N ATOM 738 CA ARG A 47 8.934 -5.701 -4.024 1.00 0.00 C ATOM 739 C ARG A 47 9.218 -6.877 -4.959 1.00 0.00 C ATOM 740 O ARG A 47 9.841 -6.706 -6.006 1.00 0.00 O ATOM 741 CB ARG A 47 10.256 -5.167 -3.470 1.00 0.00 C ATOM 742 CG ARG A 47 10.360 -3.653 -3.663 1.00 0.00 C ATOM 743 CD ARG A 47 9.977 -2.910 -2.381 1.00 0.00 C ATOM 744 NE ARG A 47 11.069 -1.995 -1.981 1.00 0.00 N ATOM 745 CZ ARG A 47 12.151 -2.375 -1.288 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.293 -3.653 -0.914 1.00 0.00 N ATOM 747 NH2 ARG A 47 13.092 -1.475 -0.969 1.00 0.00 N ATOM 0 H ARG A 47 8.482 -6.154 -2.029 1.00 0.00 H new ATOM 0 HA ARG A 47 8.437 -4.904 -4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.334 -5.408 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.090 -5.659 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.377 -3.388 -3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.707 -3.341 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.058 -2.346 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.779 -3.625 -1.582 1.00 0.00 H new ATOM 0 HE ARG A 47 10.993 -1.014 -2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.577 -4.338 -1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.117 -3.941 -0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.984 -0.502 -1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.916 -1.764 -0.441 1.00 0.00 H new ATOM 761 N SER A 48 8.748 -8.046 -4.549 1.00 0.00 N ATOM 762 CA SER A 48 8.943 -9.250 -5.337 1.00 0.00 C ATOM 763 C SER A 48 7.821 -9.389 -6.368 1.00 0.00 C ATOM 764 O SER A 48 7.708 -10.418 -7.033 1.00 0.00 O ATOM 765 CB SER A 48 9.000 -10.491 -4.444 1.00 0.00 C ATOM 766 OG SER A 48 10.204 -11.229 -4.630 1.00 0.00 O ATOM 0 H SER A 48 8.232 -8.184 -3.680 1.00 0.00 H new ATOM 0 HA SER A 48 9.897 -9.166 -5.857 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.917 -10.190 -3.400 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.145 -11.132 -4.660 1.00 0.00 H new ATOM 0 HG SER A 48 10.202 -12.012 -4.041 1.00 0.00 H new ATOM 772 N GLY A 49 7.019 -8.339 -6.468 1.00 0.00 N ATOM 773 CA GLY A 49 5.910 -8.331 -7.406 1.00 0.00 C ATOM 774 C GLY A 49 4.763 -9.213 -6.907 1.00 0.00 C ATOM 775 O GLY A 49 3.857 -9.548 -7.667 1.00 0.00 O ATOM 0 H GLY A 49 7.115 -7.488 -5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.554 -7.310 -7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.250 -8.686 -8.379 1.00 0.00 H new ATOM 779 N GLN A 50 4.840 -9.563 -5.631 1.00 0.00 N ATOM 780 CA GLN A 50 3.820 -10.399 -5.021 1.00 0.00 C ATOM 781 C GLN A 50 2.767 -9.532 -4.330 1.00 0.00 C ATOM 782 O GLN A 50 3.049 -8.401 -3.936 1.00 0.00 O ATOM 783 CB GLN A 50 4.442 -11.394 -4.039 1.00 0.00 C ATOM 784 CG GLN A 50 4.328 -12.827 -4.565 1.00 0.00 C ATOM 785 CD GLN A 50 5.409 -13.722 -3.955 1.00 0.00 C ATOM 786 OE1 GLN A 50 5.161 -14.522 -3.067 1.00 0.00 O ATOM 787 NE2 GLN A 50 6.618 -13.543 -4.478 1.00 0.00 N ATOM 0 H GLN A 50 5.593 -9.283 -5.003 1.00 0.00 H new ATOM 0 HA GLN A 50 3.330 -10.973 -5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.491 -11.144 -3.878 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.944 -11.317 -3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.342 -13.228 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.420 -12.828 -5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.756 -12.856 -5.219 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.407 -14.092 -4.138 1.00 0.00 H new ATOM 796 N ALA A 51 1.574 -10.094 -4.203 1.00 0.00 N ATOM 797 CA ALA A 51 0.476 -9.386 -3.566 1.00 0.00 C ATOM 798 C ALA A 51 -0.329 -10.366 -2.711 1.00 0.00 C ATOM 799 O ALA A 51 -0.696 -11.444 -3.175 1.00 0.00 O ATOM 800 CB ALA A 51 -0.381 -8.705 -4.635 1.00 0.00 C ATOM 0 H ALA A 51 1.343 -11.032 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 51 0.854 -8.606 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.204 -8.174 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.230 -7.998 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.780 -9.457 -5.315 1.00 0.00 H new ATOM 806 N GLY A 52 -0.580 -9.957 -1.476 1.00 0.00 N ATOM 807 CA GLY A 52 -1.335 -10.785 -0.552 1.00 0.00 C ATOM 808 C GLY A 52 -2.115 -9.925 0.444 1.00 0.00 C ATOM 809 O GLY A 52 -1.851 -8.731 0.579 1.00 0.00 O ATOM 0 H GLY A 52 -0.273 -9.062 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.025 -11.420 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.656 -11.446 -0.013 1.00 0.00 H new ATOM 813 N TYR A 53 -3.061 -10.565 1.117 1.00 0.00 N ATOM 814 CA TYR A 53 -3.881 -9.873 2.096 1.00 0.00 C ATOM 815 C TYR A 53 -3.304 -10.030 3.504 1.00 0.00 C ATOM 816 O TYR A 53 -2.678 -11.044 3.813 1.00 0.00 O ATOM 817 CB TYR A 53 -5.256 -10.542 2.044 1.00 0.00 C ATOM 818 CG TYR A 53 -6.069 -10.196 0.795 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.657 -8.953 0.676 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.214 -11.127 -0.214 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.422 -8.628 -0.499 1.00 0.00 C ATOM 822 CE2 TYR A 53 -6.979 -10.802 -1.389 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.545 -9.568 -1.474 1.00 0.00 C ATOM 824 OH TYR A 53 -8.268 -9.261 -2.585 1.00 0.00 O ATOM 0 H TYR A 53 -3.277 -11.555 1.003 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.926 -8.807 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.125 -11.623 2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.824 -10.250 2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.543 -8.224 1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.753 -12.099 -0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.888 -7.659 -0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.101 -11.522 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.269 -10.027 -3.196 1.00 0.00 H new ATOM 834 N VAL A 54 -3.534 -9.013 4.321 1.00 0.00 N ATOM 835 CA VAL A 54 -3.045 -9.026 5.689 1.00 0.00 C ATOM 836 C VAL A 54 -3.989 -8.207 6.572 1.00 0.00 C ATOM 837 O VAL A 54 -4.791 -7.422 6.068 1.00 0.00 O ATOM 838 CB VAL A 54 -1.600 -8.524 5.733 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.613 -9.693 5.703 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.325 -7.544 4.591 1.00 0.00 C ATOM 0 H VAL A 54 -4.053 -8.174 4.062 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.034 -10.043 6.081 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.459 -7.990 6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.407 -9.309 5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.786 -10.337 6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.756 -10.267 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.291 -7.203 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.493 -8.042 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.995 -6.688 4.677 1.00 0.00 H new ATOM 850 N PRO A 55 -3.858 -8.423 7.908 1.00 0.00 N ATOM 851 CA PRO A 55 -4.690 -7.714 8.866 1.00 0.00 C ATOM 852 C PRO A 55 -4.232 -6.262 9.021 1.00 0.00 C ATOM 853 O PRO A 55 -3.036 -5.977 8.980 1.00 0.00 O ATOM 854 CB PRO A 55 -4.576 -8.513 10.153 1.00 0.00 C ATOM 855 CG PRO A 55 -3.329 -9.368 10.004 1.00 0.00 C ATOM 856 CD PRO A 55 -2.919 -9.344 8.541 1.00 0.00 C ATOM 0 HA PRO A 55 -5.730 -7.643 8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.496 -7.853 11.017 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.459 -9.134 10.307 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.525 -8.983 10.632 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.526 -10.390 10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.890 -9.003 8.424 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.978 -10.338 8.097 1.00 0.00 H new ATOM 864 N CYS A 56 -5.208 -5.383 9.195 1.00 0.00 N ATOM 865 CA CYS A 56 -4.920 -3.968 9.357 1.00 0.00 C ATOM 866 C CYS A 56 -4.570 -3.713 10.824 1.00 0.00 C ATOM 867 O CYS A 56 -4.346 -2.572 11.223 1.00 0.00 O ATOM 868 CB CYS A 56 -6.087 -3.096 8.889 1.00 0.00 C ATOM 869 SG CYS A 56 -7.526 -3.329 9.996 1.00 0.00 S ATOM 0 H CYS A 56 -6.199 -5.623 9.227 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.072 -3.693 8.730 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.789 -2.048 8.883 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.359 -3.356 7.866 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.510 -2.583 9.591 1.00 0.00 H new ATOM 875 N ASN A 57 -4.534 -4.796 11.587 1.00 0.00 N ATOM 876 CA ASN A 57 -4.215 -4.704 13.002 1.00 0.00 C ATOM 877 C ASN A 57 -2.702 -4.556 13.170 1.00 0.00 C ATOM 878 O ASN A 57 -2.234 -4.027 14.178 1.00 0.00 O ATOM 879 CB ASN A 57 -4.653 -5.965 13.748 1.00 0.00 C ATOM 880 CG ASN A 57 -5.482 -5.611 14.985 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.692 -5.468 14.932 1.00 0.00 O ATOM 882 ND2 ASN A 57 -4.765 -5.479 16.097 1.00 0.00 N ATOM 0 H ASN A 57 -4.720 -5.741 11.252 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.742 -3.842 13.412 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.238 -6.600 13.083 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.775 -6.539 14.046 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.226 -5.244 16.976 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.754 -5.613 16.071 1.00 0.00 H new ATOM 889 N ILE A 58 -1.977 -5.033 12.169 1.00 0.00 N ATOM 890 CA ILE A 58 -0.526 -4.961 12.194 1.00 0.00 C ATOM 891 C ILE A 58 -0.064 -3.786 11.329 1.00 0.00 C ATOM 892 O ILE A 58 1.058 -3.305 11.479 1.00 0.00 O ATOM 893 CB ILE A 58 0.084 -6.303 11.785 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.236 -6.629 10.325 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.360 -7.419 12.733 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.425 -7.941 9.898 1.00 0.00 C ATOM 0 H ILE A 58 -2.368 -5.471 11.335 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.171 -4.771 13.207 1.00 0.00 H new ATOM 0 HB ILE A 58 1.168 -6.224 11.866 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.316 -6.702 10.193 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.109 -5.818 9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.088 -8.362 12.420 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.038 -7.184 13.748 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.446 -7.507 12.708 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.181 -8.149 8.856 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.506 -7.856 10.008 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.059 -8.754 10.525 1.00 0.00 H new ATOM 908 N LEU A 59 -0.952 -3.359 10.443 1.00 0.00 N ATOM 909 CA LEU A 59 -0.649 -2.250 9.555 1.00 0.00 C ATOM 910 C LEU A 59 -0.514 -0.966 10.376 1.00 0.00 C ATOM 911 O LEU A 59 -0.799 -0.958 11.572 1.00 0.00 O ATOM 912 CB LEU A 59 -1.690 -2.159 8.437 1.00 0.00 C ATOM 913 CG LEU A 59 -1.763 -3.358 7.489 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.869 -3.167 6.449 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.405 -3.626 6.839 1.00 0.00 C ATOM 0 H LEU A 59 -1.881 -3.761 10.321 1.00 0.00 H new ATOM 0 HA LEU A 59 0.307 -2.411 9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.671 -2.020 8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.483 -1.266 7.847 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.020 -4.241 8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.900 -4.033 5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.829 -3.062 6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.667 -2.270 5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.485 -4.483 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.094 -2.749 6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.333 -3.837 7.613 1.00 0.00 H new ATOM 927 N GLY A 60 -0.078 0.087 9.701 1.00 0.00 N ATOM 928 CA GLY A 60 0.098 1.374 10.353 1.00 0.00 C ATOM 929 C GLY A 60 0.430 2.465 9.333 1.00 0.00 C ATOM 930 O GLY A 60 1.081 2.199 8.324 1.00 0.00 O ATOM 0 H GLY A 60 0.159 0.076 8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.811 1.640 10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.897 1.306 11.091 1.00 0.00 H new