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 Set 1.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 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 180:sc=-0.00369 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 46 SER OG : rot 180:sc= -0.53 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.666 X(o=-0.67,f=-0.48) USER MOD Single : A 56 CYS SG : rot 180:sc= 0.00745 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.971 6.306 -1.507 1.00 0.00 N ATOM 67 CA LYS A 8 0.808 6.008 -0.094 1.00 0.00 C ATOM 68 C LYS A 8 1.395 4.626 0.202 1.00 0.00 C ATOM 69 O LYS A 8 1.492 3.785 -0.690 1.00 0.00 O ATOM 70 CB LYS A 8 -0.657 6.155 0.319 1.00 0.00 C ATOM 71 CG LYS A 8 -1.537 5.136 -0.408 1.00 0.00 C ATOM 72 CD LYS A 8 -2.419 5.820 -1.454 1.00 0.00 C ATOM 73 CE LYS A 8 -3.153 4.788 -2.312 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.766 5.437 -3.493 1.00 0.00 N ATOM 0 HA LYS A 8 1.360 6.726 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.750 6.018 1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.002 7.164 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.909 4.387 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.163 4.611 0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.143 6.467 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.806 6.458 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.457 4.014 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.924 4.296 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.260 4.722 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.445 6.159 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.024 5.886 -4.067 1.00 0.00 H new ATOM 88 N TYR A 9 1.772 4.435 1.457 1.00 0.00 N ATOM 89 CA TYR A 9 2.347 3.170 1.882 1.00 0.00 C ATOM 90 C TYR A 9 1.912 2.821 3.307 1.00 0.00 C ATOM 91 O TYR A 9 1.298 3.639 3.990 1.00 0.00 O ATOM 92 CB TYR A 9 3.864 3.368 1.859 1.00 0.00 C ATOM 93 CG TYR A 9 4.442 3.586 0.459 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.542 2.526 -0.419 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.862 4.843 0.074 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.086 2.731 -1.737 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.406 5.048 -1.244 1.00 0.00 C ATOM 98 CZ TYR A 9 5.491 3.982 -2.084 1.00 0.00 C ATOM 99 OH TYR A 9 6.004 4.176 -3.328 1.00 0.00 O ATOM 0 H TYR A 9 1.691 5.135 2.194 1.00 0.00 H new ATOM 0 HA TYR A 9 2.021 2.361 1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.118 4.225 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.341 2.496 2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.212 1.543 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.783 5.673 0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.170 1.910 -2.434 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.739 6.026 -1.558 1.00 0.00 H new ATOM 0 HH TYR A 9 6.250 5.118 -3.437 1.00 0.00 H new ATOM 109 N VAL A 10 2.248 1.605 3.713 1.00 0.00 N ATOM 110 CA VAL A 10 1.900 1.138 5.044 1.00 0.00 C ATOM 111 C VAL A 10 3.136 0.523 5.703 1.00 0.00 C ATOM 112 O VAL A 10 3.860 -0.248 5.076 1.00 0.00 O ATOM 113 CB VAL A 10 0.719 0.168 4.965 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.171 -1.207 4.471 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.009 0.059 6.316 1.00 0.00 C ATOM 0 H VAL A 10 2.757 0.929 3.143 1.00 0.00 H new ATOM 0 HA VAL A 10 1.579 1.971 5.670 1.00 0.00 H new ATOM 0 HB VAL A 10 0.006 0.566 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.313 -1.877 4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.611 -1.111 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.912 -1.615 5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.826 -0.636 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.710 -0.304 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.363 1.040 6.612 1.00 0.00 H new ATOM 125 N LYS A 11 3.339 0.888 6.961 1.00 0.00 N ATOM 126 CA LYS A 11 4.475 0.382 7.712 1.00 0.00 C ATOM 127 C LYS A 11 4.019 -0.780 8.597 1.00 0.00 C ATOM 128 O LYS A 11 3.079 -0.639 9.377 1.00 0.00 O ATOM 129 CB LYS A 11 5.153 1.515 8.486 1.00 0.00 C ATOM 130 CG LYS A 11 6.544 1.095 8.966 1.00 0.00 C ATOM 131 CD LYS A 11 6.472 0.444 10.349 1.00 0.00 C ATOM 132 CE LYS A 11 7.664 0.860 11.213 1.00 0.00 C ATOM 133 NZ LYS A 11 7.343 2.080 11.987 1.00 0.00 N ATOM 0 H LYS A 11 2.736 1.528 7.478 1.00 0.00 H new ATOM 0 HA LYS A 11 5.234 -0.010 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.235 2.397 7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.538 1.795 9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.983 0.397 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.198 1.966 9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.543 0.731 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.455 -0.641 10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.928 0.050 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.533 1.042 10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.163 2.348 12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.113 2.855 11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.527 1.895 12.605 1.00 0.00 H new ATOM 147 N ILE A 12 4.707 -1.902 8.446 1.00 0.00 N ATOM 148 CA ILE A 12 4.385 -3.087 9.222 1.00 0.00 C ATOM 149 C ILE A 12 4.810 -2.872 10.675 1.00 0.00 C ATOM 150 O ILE A 12 5.991 -2.675 10.958 1.00 0.00 O ATOM 151 CB ILE A 12 5.000 -4.332 8.579 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.563 -4.469 7.119 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.679 -5.586 9.394 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.040 -4.566 7.010 1.00 0.00 C ATOM 0 H ILE A 12 5.486 -2.015 7.798 1.00 0.00 H new ATOM 0 HA ILE A 12 3.308 -3.258 9.227 1.00 0.00 H new ATOM 0 HB ILE A 12 6.084 -4.216 8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.918 -3.612 6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.020 -5.356 6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.128 -6.456 8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.082 -5.478 10.401 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.598 -5.718 9.447 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.756 -4.663 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.690 -5.438 7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.587 -3.667 7.427 1.00 0.00 H new ATOM 166 N LEU A 13 3.825 -2.916 11.560 1.00 0.00 N ATOM 167 CA LEU A 13 4.082 -2.728 12.977 1.00 0.00 C ATOM 168 C LEU A 13 4.537 -4.054 13.589 1.00 0.00 C ATOM 169 O LEU A 13 5.177 -4.071 14.639 1.00 0.00 O ATOM 170 CB LEU A 13 2.860 -2.120 13.668 1.00 0.00 C ATOM 171 CG LEU A 13 2.342 -0.806 13.080 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.074 -0.345 13.801 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.431 0.268 13.093 1.00 0.00 C ATOM 0 H LEU A 13 2.847 -3.079 11.322 1.00 0.00 H new ATOM 0 HA LEU A 13 4.892 -2.013 13.125 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.051 -2.851 13.642 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.106 -1.954 14.717 1.00 0.00 H new ATOM 0 HG LEU A 13 2.075 -0.980 12.038 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.727 0.591 13.364 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.299 -1.104 13.696 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.291 -0.193 14.858 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.036 1.192 12.670 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.753 0.447 14.119 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.281 -0.069 12.500 1.00 0.00 H new ATOM 185 N TYR A 14 4.190 -5.135 12.905 1.00 0.00 N ATOM 186 CA TYR A 14 4.555 -6.463 13.368 1.00 0.00 C ATOM 187 C TYR A 14 4.751 -7.419 12.190 1.00 0.00 C ATOM 188 O TYR A 14 3.995 -7.379 11.221 1.00 0.00 O ATOM 189 CB TYR A 14 3.379 -6.952 14.216 1.00 0.00 C ATOM 190 CG TYR A 14 3.066 -6.059 15.419 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.882 -6.088 16.531 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.967 -5.225 15.391 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.587 -5.248 17.663 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.672 -4.385 16.522 1.00 0.00 C ATOM 195 CZ TYR A 14 2.496 -4.438 17.603 1.00 0.00 C ATOM 196 OH TYR A 14 2.217 -3.644 18.671 1.00 0.00 O ATOM 0 H TYR A 14 3.660 -5.118 12.034 1.00 0.00 H new ATOM 0 HA TYR A 14 5.489 -6.431 13.928 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.492 -7.019 13.585 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.594 -7.960 14.571 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.742 -6.741 16.553 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.328 -5.203 14.520 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.218 -5.261 18.540 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.815 -3.727 16.513 1.00 0.00 H new ATOM 0 HH TYR A 14 1.410 -3.119 18.487 1.00 0.00 H new ATOM 206 N ASP A 15 5.770 -8.257 12.313 1.00 0.00 N ATOM 207 CA ASP A 15 6.075 -9.222 11.270 1.00 0.00 C ATOM 208 C ASP A 15 4.935 -10.238 11.172 1.00 0.00 C ATOM 209 O ASP A 15 4.446 -10.728 12.189 1.00 0.00 O ATOM 210 CB ASP A 15 7.363 -9.986 11.586 1.00 0.00 C ATOM 211 CG ASP A 15 7.494 -10.460 13.035 1.00 0.00 C ATOM 212 OD1 ASP A 15 7.625 -9.578 13.911 1.00 0.00 O ATOM 213 OD2 ASP A 15 7.462 -11.694 13.234 1.00 0.00 O ATOM 0 H ASP A 15 6.395 -8.288 13.119 1.00 0.00 H new ATOM 0 HA ASP A 15 6.198 -8.678 10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.424 -10.853 10.929 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.214 -9.347 11.350 1.00 0.00 H new ATOM 218 N PHE A 16 4.545 -10.524 9.939 1.00 0.00 N ATOM 219 CA PHE A 16 3.472 -11.473 9.694 1.00 0.00 C ATOM 220 C PHE A 16 3.916 -12.563 8.717 1.00 0.00 C ATOM 221 O PHE A 16 4.693 -12.301 7.800 1.00 0.00 O ATOM 222 CB PHE A 16 2.314 -10.688 9.074 1.00 0.00 C ATOM 223 CG PHE A 16 1.040 -11.512 8.876 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.343 -11.956 9.956 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.604 -11.799 7.620 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.839 -12.720 9.773 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.579 -12.563 7.437 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.275 -13.008 8.517 1.00 0.00 C ATOM 0 H PHE A 16 4.953 -10.115 9.098 1.00 0.00 H new ATOM 0 HA PHE A 16 3.182 -11.956 10.627 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.086 -9.833 9.710 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.632 -10.292 8.110 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.689 -11.727 10.953 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.157 -11.446 6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.392 -13.073 10.631 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.926 -12.791 6.440 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.174 -13.590 8.378 1.00 0.00 H new ATOM 238 N THR A 17 3.403 -13.763 8.946 1.00 0.00 N ATOM 239 CA THR A 17 3.737 -14.894 8.097 1.00 0.00 C ATOM 240 C THR A 17 2.502 -15.365 7.327 1.00 0.00 C ATOM 241 O THR A 17 1.662 -16.081 7.870 1.00 0.00 O ATOM 242 CB THR A 17 4.354 -15.981 8.979 1.00 0.00 C ATOM 243 OG1 THR A 17 5.627 -15.454 9.340 1.00 0.00 O ATOM 244 CG2 THR A 17 4.685 -17.253 8.196 1.00 0.00 C ATOM 0 H THR A 17 2.759 -13.977 9.707 1.00 0.00 H new ATOM 0 HA THR A 17 4.469 -14.617 7.338 1.00 0.00 H new ATOM 0 HB THR A 17 3.667 -16.223 9.790 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.095 -16.095 9.915 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.120 -17.992 8.869 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.773 -17.656 7.755 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.398 -17.018 7.405 1.00 0.00 H new ATOM 252 N ALA A 18 2.430 -14.944 6.072 1.00 0.00 N ATOM 253 CA ALA A 18 1.312 -15.314 5.221 1.00 0.00 C ATOM 254 C ALA A 18 0.981 -16.792 5.435 1.00 0.00 C ATOM 255 O ALA A 18 1.788 -17.665 5.118 1.00 0.00 O ATOM 256 CB ALA A 18 1.653 -14.997 3.764 1.00 0.00 C ATOM 0 H ALA A 18 3.128 -14.350 5.624 1.00 0.00 H new ATOM 0 HA ALA A 18 0.424 -14.737 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.814 -15.275 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.850 -13.930 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.538 -15.560 3.467 1.00 0.00 H new ATOM 324 N GLU A 23 -2.422 -14.487 1.054 1.00 0.00 N ATOM 325 CA GLU A 23 -1.822 -13.604 2.040 1.00 0.00 C ATOM 326 C GLU A 23 -0.379 -13.276 1.651 1.00 0.00 C ATOM 327 O GLU A 23 0.237 -14.000 0.870 1.00 0.00 O ATOM 328 CB GLU A 23 -1.887 -14.220 3.439 1.00 0.00 C ATOM 329 CG GLU A 23 -3.337 -14.446 3.872 1.00 0.00 C ATOM 330 CD GLU A 23 -3.408 -14.929 5.322 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.632 -15.853 5.650 1.00 0.00 O ATOM 332 OE2 GLU A 23 -4.236 -14.365 6.068 1.00 0.00 O ATOM 0 HA GLU A 23 -2.391 -12.675 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.349 -15.168 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.389 -13.564 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.901 -13.519 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.805 -15.181 3.217 1.00 0.00 H new ATOM 339 N LEU A 24 0.119 -12.186 2.215 1.00 0.00 N ATOM 340 CA LEU A 24 1.478 -11.753 1.937 1.00 0.00 C ATOM 341 C LEU A 24 2.300 -11.809 3.227 1.00 0.00 C ATOM 342 O LEU A 24 1.807 -11.453 4.297 1.00 0.00 O ATOM 343 CB LEU A 24 1.477 -10.378 1.268 1.00 0.00 C ATOM 344 CG LEU A 24 2.709 -10.040 0.427 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.567 -10.582 -0.997 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.989 -8.536 0.443 1.00 0.00 C ATOM 0 H LEU A 24 -0.394 -11.589 2.864 1.00 0.00 H new ATOM 0 HA LEU A 24 1.954 -12.427 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.596 -10.307 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.372 -9.619 2.043 1.00 0.00 H new ATOM 0 HG LEU A 24 3.573 -10.532 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.456 -10.328 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.453 -11.666 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.690 -10.139 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.870 -8.323 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.131 -8.002 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.166 -8.210 1.468 1.00 0.00 H new ATOM 358 N SER A 25 3.538 -12.259 3.083 1.00 0.00 N ATOM 359 CA SER A 25 4.432 -12.365 4.223 1.00 0.00 C ATOM 360 C SER A 25 5.326 -11.126 4.305 1.00 0.00 C ATOM 361 O SER A 25 6.052 -10.817 3.360 1.00 0.00 O ATOM 362 CB SER A 25 5.286 -13.632 4.137 1.00 0.00 C ATOM 363 OG SER A 25 4.833 -14.512 3.112 1.00 0.00 O ATOM 0 H SER A 25 3.943 -12.554 2.194 1.00 0.00 H new ATOM 0 HA SER A 25 3.827 -12.428 5.127 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.324 -13.358 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.264 -14.150 5.096 1.00 0.00 H new ATOM 0 HG SER A 25 5.405 -15.308 3.088 1.00 0.00 H new ATOM 369 N VAL A 26 5.245 -10.451 5.441 1.00 0.00 N ATOM 370 CA VAL A 26 6.038 -9.253 5.658 1.00 0.00 C ATOM 371 C VAL A 26 6.698 -9.326 7.037 1.00 0.00 C ATOM 372 O VAL A 26 6.398 -10.220 7.826 1.00 0.00 O ATOM 373 CB VAL A 26 5.167 -8.008 5.478 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.760 -7.832 4.013 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.936 -8.064 6.385 1.00 0.00 C ATOM 0 H VAL A 26 4.642 -10.711 6.222 1.00 0.00 H new ATOM 0 HA VAL A 26 6.836 -9.185 4.918 1.00 0.00 H new ATOM 0 HB VAL A 26 5.759 -7.140 5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.142 -6.940 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.653 -7.726 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.195 -8.704 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.334 -7.167 6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.342 -8.944 6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.253 -8.120 7.426 1.00 0.00 H new ATOM 385 N LEU A 27 7.584 -8.372 7.284 1.00 0.00 N ATOM 386 CA LEU A 27 8.289 -8.317 8.554 1.00 0.00 C ATOM 387 C LEU A 27 7.943 -7.009 9.268 1.00 0.00 C ATOM 388 O LEU A 27 7.187 -6.192 8.743 1.00 0.00 O ATOM 389 CB LEU A 27 9.790 -8.524 8.343 1.00 0.00 C ATOM 390 CG LEU A 27 10.254 -9.976 8.210 1.00 0.00 C ATOM 391 CD1 LEU A 27 11.578 -10.060 7.447 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.338 -10.652 9.580 1.00 0.00 C ATOM 0 H LEU A 27 7.830 -7.632 6.627 1.00 0.00 H new ATOM 0 HA LEU A 27 7.967 -9.130 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.088 -7.984 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.321 -8.069 9.179 1.00 0.00 H new ATOM 0 HG LEU A 27 9.511 -10.521 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.886 -11.102 7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.450 -9.641 6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.342 -9.496 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.670 -11.683 9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.048 -10.114 10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.356 -10.641 10.052 1.00 0.00 H new ATOM 404 N LYS A 28 8.513 -6.850 10.453 1.00 0.00 N ATOM 405 CA LYS A 28 8.275 -5.655 11.244 1.00 0.00 C ATOM 406 C LYS A 28 9.204 -4.538 10.765 1.00 0.00 C ATOM 407 O LYS A 28 10.368 -4.785 10.453 1.00 0.00 O ATOM 408 CB LYS A 28 8.404 -5.965 12.737 1.00 0.00 C ATOM 409 CG LYS A 28 8.224 -4.700 13.578 1.00 0.00 C ATOM 410 CD LYS A 28 9.210 -4.674 14.747 1.00 0.00 C ATOM 411 CE LYS A 28 8.475 -4.523 16.081 1.00 0.00 C ATOM 412 NZ LYS A 28 7.898 -5.819 16.503 1.00 0.00 N ATOM 0 H LYS A 28 9.139 -7.529 10.885 1.00 0.00 H new ATOM 0 HA LYS A 28 7.253 -5.303 11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.658 -6.706 13.024 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.382 -6.403 12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.372 -3.819 12.953 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.203 -4.653 13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.797 -5.593 14.753 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.911 -3.849 14.618 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.164 -4.159 16.843 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.684 -3.780 15.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.403 -5.700 17.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.226 -6.151 15.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.660 -6.518 16.614 1.00 0.00 H new ATOM 426 N ASP A 29 8.655 -3.332 10.723 1.00 0.00 N ATOM 427 CA ASP A 29 9.420 -2.176 10.288 1.00 0.00 C ATOM 428 C ASP A 29 9.437 -2.128 8.759 1.00 0.00 C ATOM 429 O ASP A 29 9.973 -1.190 8.170 1.00 0.00 O ATOM 430 CB ASP A 29 10.869 -2.260 10.774 1.00 0.00 C ATOM 431 CG ASP A 29 11.558 -0.911 10.987 1.00 0.00 C ATOM 432 OD1 ASP A 29 11.402 -0.363 12.099 1.00 0.00 O ATOM 433 OD2 ASP A 29 12.226 -0.458 10.032 1.00 0.00 O ATOM 0 H ASP A 29 7.689 -3.131 10.983 1.00 0.00 H new ATOM 0 HA ASP A 29 8.951 -1.285 10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.890 -2.814 11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.446 -2.836 10.051 1.00 0.00 H new ATOM 438 N GLU A 30 8.844 -3.149 8.160 1.00 0.00 N ATOM 439 CA GLU A 30 8.783 -3.235 6.710 1.00 0.00 C ATOM 440 C GLU A 30 7.620 -2.396 6.177 1.00 0.00 C ATOM 441 O GLU A 30 6.606 -2.232 6.854 1.00 0.00 O ATOM 442 CB GLU A 30 8.666 -4.689 6.251 1.00 0.00 C ATOM 443 CG GLU A 30 10.011 -5.216 5.748 1.00 0.00 C ATOM 444 CD GLU A 30 9.855 -6.597 5.107 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.690 -7.024 4.958 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.904 -7.193 4.782 1.00 0.00 O ATOM 0 H GLU A 30 8.401 -3.925 8.652 1.00 0.00 H new ATOM 0 HA GLU A 30 9.711 -2.834 6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.315 -5.308 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.922 -4.765 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.430 -4.519 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.716 -5.274 6.577 1.00 0.00 H new ATOM 453 N VAL A 31 7.806 -1.886 4.968 1.00 0.00 N ATOM 454 CA VAL A 31 6.785 -1.068 4.337 1.00 0.00 C ATOM 455 C VAL A 31 6.403 -1.685 2.990 1.00 0.00 C ATOM 456 O VAL A 31 7.266 -1.927 2.147 1.00 0.00 O ATOM 457 CB VAL A 31 7.273 0.377 4.214 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.243 1.245 3.489 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.611 0.960 5.588 1.00 0.00 C ATOM 0 H VAL A 31 8.648 -2.024 4.409 1.00 0.00 H new ATOM 0 HA VAL A 31 5.885 -1.042 4.951 1.00 0.00 H new ATOM 0 HB VAL A 31 8.185 0.372 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.615 2.267 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.073 0.848 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.306 1.240 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.955 1.988 5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.722 0.944 6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.397 0.364 6.053 1.00 0.00 H new ATOM 469 N LEU A 32 5.110 -1.924 2.829 1.00 0.00 N ATOM 470 CA LEU A 32 4.604 -2.509 1.599 1.00 0.00 C ATOM 471 C LEU A 32 3.806 -1.455 0.829 1.00 0.00 C ATOM 472 O LEU A 32 3.643 -0.329 1.297 1.00 0.00 O ATOM 473 CB LEU A 32 3.811 -3.783 1.899 1.00 0.00 C ATOM 474 CG LEU A 32 4.615 -4.956 2.463 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.808 -5.286 1.563 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.043 -4.684 3.906 1.00 0.00 C ATOM 0 H LEU A 32 4.397 -1.723 3.530 1.00 0.00 H new ATOM 0 HA LEU A 32 5.428 -2.818 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.020 -3.537 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.325 -4.110 0.980 1.00 0.00 H new ATOM 0 HG LEU A 32 3.971 -5.835 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.363 -6.123 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.451 -5.553 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.462 -4.417 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.613 -5.533 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.663 -3.788 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.159 -4.537 4.526 1.00 0.00 H new ATOM 488 N GLU A 33 3.330 -1.857 -0.340 1.00 0.00 N ATOM 489 CA GLU A 33 2.553 -0.962 -1.180 1.00 0.00 C ATOM 490 C GLU A 33 1.069 -1.329 -1.118 1.00 0.00 C ATOM 491 O GLU A 33 0.691 -2.454 -1.440 1.00 0.00 O ATOM 492 CB GLU A 33 3.063 -0.982 -2.623 1.00 0.00 C ATOM 493 CG GLU A 33 2.160 -0.152 -3.536 1.00 0.00 C ATOM 494 CD GLU A 33 2.984 0.625 -4.565 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.783 -0.034 -5.266 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.798 1.859 -4.627 1.00 0.00 O ATOM 0 H GLU A 33 3.468 -2.791 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 33 2.672 0.053 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.080 -0.591 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.104 -2.010 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.455 -0.807 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.571 0.543 -2.937 1.00 0.00 H new ATOM 503 N VAL A 34 0.269 -0.359 -0.703 1.00 0.00 N ATOM 504 CA VAL A 34 -1.165 -0.566 -0.594 1.00 0.00 C ATOM 505 C VAL A 34 -1.797 -0.464 -1.984 1.00 0.00 C ATOM 506 O VAL A 34 -1.513 0.470 -2.732 1.00 0.00 O ATOM 507 CB VAL A 34 -1.763 0.424 0.408 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.770 1.844 -0.162 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.170 -0.005 0.829 1.00 0.00 C ATOM 0 H VAL A 34 0.586 0.573 -0.438 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.379 -1.564 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.132 0.423 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.200 2.528 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.749 2.150 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.366 1.867 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.572 0.715 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.815 -0.047 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.126 -0.990 1.294 1.00 0.00 H new ATOM 519 N LEU A 35 -2.642 -1.439 -2.287 1.00 0.00 N ATOM 520 CA LEU A 35 -3.317 -1.471 -3.574 1.00 0.00 C ATOM 521 C LEU A 35 -4.830 -1.420 -3.353 1.00 0.00 C ATOM 522 O LEU A 35 -5.541 -0.713 -4.065 1.00 0.00 O ATOM 523 CB LEU A 35 -2.855 -2.679 -4.391 1.00 0.00 C ATOM 524 CG LEU A 35 -1.477 -3.242 -4.036 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.340 -4.692 -4.503 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.362 -2.353 -4.592 1.00 0.00 C ATOM 0 H LEU A 35 -2.875 -2.212 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.051 -0.595 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.591 -3.474 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.851 -2.400 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.378 -3.243 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.352 -5.068 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.102 -5.303 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.469 -4.740 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.607 -2.775 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.448 -2.298 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.450 -1.352 -4.170 1.00 0.00 H new ATOM 538 N GLU A 36 -5.277 -2.179 -2.364 1.00 0.00 N ATOM 539 CA GLU A 36 -6.693 -2.230 -2.040 1.00 0.00 C ATOM 540 C GLU A 36 -6.904 -1.987 -0.544 1.00 0.00 C ATOM 541 O GLU A 36 -6.340 -2.695 0.289 1.00 0.00 O ATOM 542 CB GLU A 36 -7.307 -3.563 -2.472 1.00 0.00 C ATOM 543 CG GLU A 36 -8.236 -3.376 -3.672 1.00 0.00 C ATOM 544 CD GLU A 36 -9.302 -4.473 -3.717 1.00 0.00 C ATOM 545 OE1 GLU A 36 -8.920 -5.623 -4.022 1.00 0.00 O ATOM 546 OE2 GLU A 36 -10.475 -4.136 -3.446 1.00 0.00 O ATOM 0 H GLU A 36 -4.684 -2.764 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.201 -1.439 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.515 -4.267 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.863 -3.997 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.717 -2.399 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.654 -3.392 -4.593 1.00 0.00 H new ATOM 553 N ASP A 37 -7.719 -0.985 -0.249 1.00 0.00 N ATOM 554 CA ASP A 37 -8.012 -0.640 1.132 1.00 0.00 C ATOM 555 C ASP A 37 -9.517 -0.415 1.288 1.00 0.00 C ATOM 556 O ASP A 37 -10.258 -0.445 0.307 1.00 0.00 O ATOM 557 CB ASP A 37 -7.296 0.649 1.541 1.00 0.00 C ATOM 558 CG ASP A 37 -8.017 1.941 1.151 1.00 0.00 C ATOM 559 OD1 ASP A 37 -7.870 2.339 -0.025 1.00 0.00 O ATOM 560 OD2 ASP A 37 -8.697 2.501 2.037 1.00 0.00 O ATOM 0 H ASP A 37 -8.186 -0.401 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.670 -1.459 1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.155 0.641 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.304 0.654 1.090 1.00 0.00 H new ATOM 565 N GLY A 38 -9.924 -0.195 2.530 1.00 0.00 N ATOM 566 CA GLY A 38 -11.328 0.035 2.827 1.00 0.00 C ATOM 567 C GLY A 38 -12.053 -1.284 3.104 1.00 0.00 C ATOM 568 O GLY A 38 -13.279 -1.316 3.193 1.00 0.00 O ATOM 0 H GLY A 38 -9.307 -0.171 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.418 0.692 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.802 0.546 1.989 1.00 0.00 H new ATOM 572 N ARG A 39 -11.263 -2.341 3.231 1.00 0.00 N ATOM 573 CA ARG A 39 -11.815 -3.659 3.495 1.00 0.00 C ATOM 574 C ARG A 39 -11.148 -4.276 4.726 1.00 0.00 C ATOM 575 O ARG A 39 -10.104 -3.804 5.174 1.00 0.00 O ATOM 576 CB ARG A 39 -11.617 -4.589 2.297 1.00 0.00 C ATOM 577 CG ARG A 39 -12.896 -4.685 1.461 1.00 0.00 C ATOM 578 CD ARG A 39 -12.611 -4.394 -0.013 1.00 0.00 C ATOM 579 NE ARG A 39 -13.047 -5.535 -0.848 1.00 0.00 N ATOM 580 CZ ARG A 39 -12.384 -6.696 -0.939 1.00 0.00 C ATOM 581 NH1 ARG A 39 -11.252 -6.877 -0.247 1.00 0.00 N ATOM 582 NH2 ARG A 39 -12.855 -7.676 -1.722 1.00 0.00 N ATOM 0 H ARG A 39 -10.246 -2.311 3.156 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.883 -3.541 3.676 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.800 -4.221 1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.331 -5.581 2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.327 -5.681 1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.635 -3.978 1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.132 -3.488 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.546 -4.213 -0.157 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.906 -5.431 -1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.894 -6.131 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.748 -7.761 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.718 -7.538 -2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.351 -8.560 -1.792 1.00 0.00 H new ATOM 596 N GLN A 40 -11.777 -5.323 5.238 1.00 0.00 N ATOM 597 CA GLN A 40 -11.258 -6.011 6.409 1.00 0.00 C ATOM 598 C GLN A 40 -9.732 -6.097 6.339 1.00 0.00 C ATOM 599 O GLN A 40 -9.034 -5.454 7.122 1.00 0.00 O ATOM 600 CB GLN A 40 -11.880 -7.401 6.549 1.00 0.00 C ATOM 601 CG GLN A 40 -12.089 -7.762 8.021 1.00 0.00 C ATOM 602 CD GLN A 40 -13.523 -7.459 8.461 1.00 0.00 C ATOM 603 OE1 GLN A 40 -13.847 -6.368 8.901 1.00 0.00 O ATOM 604 NE2 GLN A 40 -14.360 -8.482 8.319 1.00 0.00 N ATOM 0 H GLN A 40 -12.642 -5.713 4.864 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.531 -5.437 7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.835 -7.431 6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.234 -8.142 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.873 -8.819 8.174 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.389 -7.201 8.640 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.023 -9.369 7.944 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.339 -8.380 8.585 1.00 0.00 H new ATOM 613 N TRP A 41 -9.258 -6.897 5.395 1.00 0.00 N ATOM 614 CA TRP A 41 -7.828 -7.075 5.214 1.00 0.00 C ATOM 615 C TRP A 41 -7.411 -6.306 3.959 1.00 0.00 C ATOM 616 O TRP A 41 -8.078 -6.384 2.928 1.00 0.00 O ATOM 617 CB TRP A 41 -7.464 -8.560 5.153 1.00 0.00 C ATOM 618 CG TRP A 41 -7.682 -9.308 6.470 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.729 -9.227 7.302 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.783 -10.261 7.076 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.572 -10.054 8.395 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.351 -10.703 8.254 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.532 -10.734 6.644 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.739 -11.639 9.096 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -4.933 -11.669 7.497 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.492 -12.124 8.686 1.00 0.00 C ATOM 0 H TRP A 41 -9.839 -7.429 4.747 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.279 -6.675 6.066 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.057 -9.037 4.373 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.418 -8.656 4.861 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.588 -8.594 7.138 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.231 -10.168 9.165 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.069 -10.402 5.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.204 -11.969 10.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.969 -12.064 7.211 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.966 -12.848 9.290 1.00 0.00 H new ATOM 637 N TRP A 42 -6.310 -5.580 4.087 1.00 0.00 N ATOM 638 CA TRP A 42 -5.796 -4.797 2.976 1.00 0.00 C ATOM 639 C TRP A 42 -4.947 -5.721 2.099 1.00 0.00 C ATOM 640 O TRP A 42 -4.455 -6.747 2.567 1.00 0.00 O ATOM 641 CB TRP A 42 -5.025 -3.574 3.477 1.00 0.00 C ATOM 642 CG TRP A 42 -5.856 -2.629 4.346 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.143 -2.749 4.699 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.402 -1.406 4.963 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.550 -1.698 5.495 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.458 -0.855 5.661 1.00 0.00 C ATOM 647 CE3 TRP A 42 -4.140 -0.786 4.933 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.360 0.342 6.380 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -4.059 0.410 5.657 1.00 0.00 C ATOM 650 CH2 TRP A 42 -5.112 0.978 6.364 1.00 0.00 C ATOM 0 H TRP A 42 -5.759 -5.518 4.943 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.613 -4.399 2.374 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.160 -3.911 4.049 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.643 -3.021 2.619 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.782 -3.566 4.398 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.481 -1.564 5.889 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.300 -1.199 4.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.201 0.753 6.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.111 0.928 5.667 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.969 1.905 6.899 1.00 0.00 H new ATOM 661 N LYS A 43 -4.801 -5.323 0.844 1.00 0.00 N ATOM 662 CA LYS A 43 -4.020 -6.102 -0.102 1.00 0.00 C ATOM 663 C LYS A 43 -2.737 -5.343 -0.445 1.00 0.00 C ATOM 664 O LYS A 43 -2.753 -4.429 -1.267 1.00 0.00 O ATOM 665 CB LYS A 43 -4.866 -6.465 -1.325 1.00 0.00 C ATOM 666 CG LYS A 43 -4.164 -7.518 -2.184 1.00 0.00 C ATOM 667 CD LYS A 43 -4.548 -7.369 -3.657 1.00 0.00 C ATOM 668 CE LYS A 43 -4.163 -8.617 -4.454 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.329 -9.517 -4.600 1.00 0.00 N ATOM 0 H LYS A 43 -5.210 -4.471 0.460 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.720 -7.051 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.836 -6.842 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.054 -5.571 -1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.084 -7.421 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.431 -8.515 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.621 -7.196 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.051 -6.496 -4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.793 -8.328 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.351 -9.142 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.051 -10.359 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.664 -9.807 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.092 -9.018 -5.101 1.00 0.00 H new ATOM 683 N LEU A 44 -1.655 -5.751 0.203 1.00 0.00 N ATOM 684 CA LEU A 44 -0.366 -5.121 -0.023 1.00 0.00 C ATOM 685 C LEU A 44 0.433 -5.951 -1.030 1.00 0.00 C ATOM 686 O LEU A 44 0.070 -7.087 -1.329 1.00 0.00 O ATOM 687 CB LEU A 44 0.361 -4.897 1.304 1.00 0.00 C ATOM 688 CG LEU A 44 -0.416 -4.124 2.373 1.00 0.00 C ATOM 689 CD1 LEU A 44 -0.672 -2.683 1.929 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.711 -4.850 2.741 1.00 0.00 C ATOM 0 H LEU A 44 -1.645 -6.510 0.884 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.497 -4.131 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.635 -5.869 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.290 -4.364 1.101 1.00 0.00 H new ATOM 0 HG LEU A 44 0.195 -4.079 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.225 -2.156 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.280 -2.181 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.253 -2.684 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.244 -4.280 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.338 -4.947 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.475 -5.841 3.129 1.00 0.00 H new ATOM 702 N ARG A 45 1.506 -5.351 -1.524 1.00 0.00 N ATOM 703 CA ARG A 45 2.360 -6.020 -2.490 1.00 0.00 C ATOM 704 C ARG A 45 3.829 -5.884 -2.085 1.00 0.00 C ATOM 705 O ARG A 45 4.289 -4.790 -1.762 1.00 0.00 O ATOM 706 CB ARG A 45 2.168 -5.437 -3.892 1.00 0.00 C ATOM 707 CG ARG A 45 3.029 -6.178 -4.916 1.00 0.00 C ATOM 708 CD ARG A 45 3.620 -5.207 -5.941 1.00 0.00 C ATOM 709 NE ARG A 45 4.479 -4.213 -5.259 1.00 0.00 N ATOM 710 CZ ARG A 45 5.320 -3.386 -5.895 1.00 0.00 C ATOM 711 NH1 ARG A 45 5.421 -3.429 -7.230 1.00 0.00 N ATOM 712 NH2 ARG A 45 6.061 -2.516 -5.194 1.00 0.00 N ATOM 0 H ARG A 45 1.803 -4.408 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 45 2.080 -7.073 -2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.118 -5.505 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.430 -4.379 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.833 -6.707 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.427 -6.930 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.202 -5.756 -6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.819 -4.700 -6.478 1.00 0.00 H new ATOM 0 HE ARG A 45 4.428 -4.154 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.858 -4.091 -7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.061 -2.799 -7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.984 -2.484 -4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.701 -1.886 -5.677 1.00 0.00 H new ATOM 726 N SER A 46 4.525 -7.011 -2.115 1.00 0.00 N ATOM 727 CA SER A 46 5.932 -7.031 -1.755 1.00 0.00 C ATOM 728 C SER A 46 6.786 -6.630 -2.960 1.00 0.00 C ATOM 729 O SER A 46 6.294 -6.581 -4.086 1.00 0.00 O ATOM 730 CB SER A 46 6.351 -8.411 -1.244 1.00 0.00 C ATOM 731 OG SER A 46 6.333 -9.392 -2.278 1.00 0.00 O ATOM 0 H SER A 46 4.140 -7.917 -2.383 1.00 0.00 H new ATOM 0 HA SER A 46 6.089 -6.313 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.353 -8.351 -0.819 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.681 -8.719 -0.441 1.00 0.00 H new ATOM 0 HG SER A 46 6.608 -10.258 -1.912 1.00 0.00 H new ATOM 737 N ARG A 47 8.052 -6.354 -2.682 1.00 0.00 N ATOM 738 CA ARG A 47 8.979 -5.959 -3.729 1.00 0.00 C ATOM 739 C ARG A 47 9.268 -7.142 -4.656 1.00 0.00 C ATOM 740 O ARG A 47 9.904 -6.978 -5.696 1.00 0.00 O ATOM 741 CB ARG A 47 10.295 -5.452 -3.136 1.00 0.00 C ATOM 742 CG ARG A 47 10.054 -4.268 -2.198 1.00 0.00 C ATOM 743 CD ARG A 47 9.686 -3.009 -2.987 1.00 0.00 C ATOM 744 NE ARG A 47 10.852 -2.103 -3.067 1.00 0.00 N ATOM 745 CZ ARG A 47 10.908 -1.018 -3.852 1.00 0.00 C ATOM 746 NH1 ARG A 47 9.864 -0.698 -4.629 1.00 0.00 N ATOM 747 NH2 ARG A 47 12.008 -0.253 -3.860 1.00 0.00 N ATOM 0 H ARG A 47 8.457 -6.396 -1.747 1.00 0.00 H new ATOM 0 HA ARG A 47 8.514 -5.153 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.787 -6.258 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.969 -5.153 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.254 -4.510 -1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.949 -4.081 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.357 -3.282 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.851 -2.499 -2.506 1.00 0.00 H new ATOM 0 HE ARG A 47 11.664 -2.317 -2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.026 -1.280 -4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.907 0.128 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.803 -0.496 -3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.051 0.573 -4.457 1.00 0.00 H new ATOM 761 N SER A 48 8.786 -8.306 -4.246 1.00 0.00 N ATOM 762 CA SER A 48 8.984 -9.515 -5.027 1.00 0.00 C ATOM 763 C SER A 48 7.888 -9.638 -6.088 1.00 0.00 C ATOM 764 O SER A 48 7.778 -10.665 -6.756 1.00 0.00 O ATOM 765 CB SER A 48 8.996 -10.754 -4.130 1.00 0.00 C ATOM 766 OG SER A 48 9.756 -11.817 -4.698 1.00 0.00 O ATOM 0 H SER A 48 8.259 -8.437 -3.383 1.00 0.00 H new ATOM 0 HA SER A 48 9.953 -9.448 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.410 -10.493 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.973 -11.090 -3.962 1.00 0.00 H new ATOM 0 HG SER A 48 9.740 -12.589 -4.095 1.00 0.00 H new ATOM 772 N GLY A 49 7.104 -8.576 -6.209 1.00 0.00 N ATOM 773 CA GLY A 49 6.021 -8.552 -7.178 1.00 0.00 C ATOM 774 C GLY A 49 4.848 -9.415 -6.708 1.00 0.00 C ATOM 775 O GLY A 49 3.947 -9.722 -7.488 1.00 0.00 O ATOM 0 H GLY A 49 7.197 -7.726 -5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.685 -7.526 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.381 -8.914 -8.141 1.00 0.00 H new ATOM 779 N GLN A 50 4.895 -9.781 -5.436 1.00 0.00 N ATOM 780 CA GLN A 50 3.847 -10.601 -4.853 1.00 0.00 C ATOM 781 C GLN A 50 2.814 -9.721 -4.148 1.00 0.00 C ATOM 782 O GLN A 50 3.153 -8.663 -3.618 1.00 0.00 O ATOM 783 CB GLN A 50 4.433 -11.638 -3.892 1.00 0.00 C ATOM 784 CG GLN A 50 5.082 -12.792 -4.659 1.00 0.00 C ATOM 785 CD GLN A 50 4.069 -13.476 -5.580 1.00 0.00 C ATOM 786 OE1 GLN A 50 3.247 -14.273 -5.158 1.00 0.00 O ATOM 787 NE2 GLN A 50 4.175 -13.122 -6.857 1.00 0.00 N ATOM 0 H GLN A 50 5.643 -9.524 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 50 3.346 -11.141 -5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.173 -11.164 -3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.646 -12.024 -3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.919 -12.417 -5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.488 -13.519 -3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.886 -12.449 -7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.545 -13.524 -7.552 1.00 0.00 H new ATOM 796 N ALA A 51 1.575 -10.189 -4.163 1.00 0.00 N ATOM 797 CA ALA A 51 0.490 -9.458 -3.531 1.00 0.00 C ATOM 798 C ALA A 51 -0.364 -10.427 -2.712 1.00 0.00 C ATOM 799 O ALA A 51 -0.781 -11.470 -3.215 1.00 0.00 O ATOM 800 CB ALA A 51 -0.322 -8.725 -4.600 1.00 0.00 C ATOM 0 H ALA A 51 1.298 -11.066 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 51 0.882 -8.706 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.136 -8.177 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.324 -8.027 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.733 -9.448 -5.304 1.00 0.00 H new ATOM 806 N GLY A 52 -0.600 -10.050 -1.464 1.00 0.00 N ATOM 807 CA GLY A 52 -1.397 -10.873 -0.571 1.00 0.00 C ATOM 808 C GLY A 52 -2.135 -10.012 0.456 1.00 0.00 C ATOM 809 O GLY A 52 -1.764 -8.862 0.689 1.00 0.00 O ATOM 0 H GLY A 52 -0.253 -9.185 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.117 -11.452 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.753 -11.587 -0.057 1.00 0.00 H new ATOM 813 N TYR A 53 -3.166 -10.601 1.044 1.00 0.00 N ATOM 814 CA TYR A 53 -3.959 -9.902 2.040 1.00 0.00 C ATOM 815 C TYR A 53 -3.346 -10.054 3.434 1.00 0.00 C ATOM 816 O TYR A 53 -2.702 -11.060 3.726 1.00 0.00 O ATOM 817 CB TYR A 53 -5.336 -10.568 2.026 1.00 0.00 C ATOM 818 CG TYR A 53 -6.193 -10.201 0.813 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.642 -8.906 0.652 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.517 -11.165 -0.120 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.448 -8.560 -0.490 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.324 -10.819 -1.262 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.749 -9.534 -1.390 1.00 0.00 C ATOM 824 OH TYR A 53 -8.511 -9.207 -2.469 1.00 0.00 O ATOM 0 H TYR A 53 -3.470 -11.555 0.849 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.008 -8.837 1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.205 -11.650 2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.872 -10.290 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.389 -8.152 1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.166 -12.178 0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.805 -7.550 -0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.585 -11.563 -2.000 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.645 -10.001 -3.027 1.00 0.00 H new ATOM 834 N VAL A 54 -3.569 -9.040 4.257 1.00 0.00 N ATOM 835 CA VAL A 54 -3.046 -9.048 5.613 1.00 0.00 C ATOM 836 C VAL A 54 -3.956 -8.207 6.511 1.00 0.00 C ATOM 837 O VAL A 54 -4.763 -7.419 6.019 1.00 0.00 O ATOM 838 CB VAL A 54 -1.594 -8.568 5.617 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.625 -9.752 5.595 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.326 -7.619 4.447 1.00 0.00 C ATOM 0 H VAL A 54 -4.105 -8.207 4.011 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.040 -10.062 6.014 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.427 -8.015 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.401 -9.383 5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.790 -10.373 6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.795 -10.344 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.286 -7.293 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.520 -8.136 3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.981 -6.751 4.525 1.00 0.00 H new ATOM 850 N PRO A 55 -3.793 -8.409 7.845 1.00 0.00 N ATOM 851 CA PRO A 55 -4.590 -7.679 8.816 1.00 0.00 C ATOM 852 C PRO A 55 -4.111 -6.232 8.941 1.00 0.00 C ATOM 853 O PRO A 55 -2.909 -5.971 8.960 1.00 0.00 O ATOM 854 CB PRO A 55 -4.451 -8.465 10.110 1.00 0.00 C ATOM 855 CG PRO A 55 -3.218 -9.337 9.938 1.00 0.00 C ATOM 856 CD PRO A 55 -2.848 -9.335 8.464 1.00 0.00 C ATOM 0 HA PRO A 55 -5.637 -7.599 8.525 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.340 -7.796 10.963 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.337 -9.073 10.295 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.393 -8.955 10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.418 -10.352 10.280 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.819 -9.009 8.315 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.932 -10.333 8.033 1.00 0.00 H new ATOM 864 N CYS A 56 -5.076 -5.328 9.024 1.00 0.00 N ATOM 865 CA CYS A 56 -4.768 -3.913 9.147 1.00 0.00 C ATOM 866 C CYS A 56 -4.375 -3.631 10.599 1.00 0.00 C ATOM 867 O CYS A 56 -4.021 -2.504 10.942 1.00 0.00 O ATOM 868 CB CYS A 56 -5.937 -3.038 8.693 1.00 0.00 C ATOM 869 SG CYS A 56 -7.372 -3.284 9.802 1.00 0.00 S ATOM 0 H CYS A 56 -6.072 -5.548 9.008 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.935 -3.662 8.490 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.640 -1.989 8.697 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.212 -3.288 7.668 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.358 -2.534 9.408 1.00 0.00 H new ATOM 875 N ASN A 57 -4.450 -4.675 11.412 1.00 0.00 N ATOM 876 CA ASN A 57 -4.106 -4.554 12.818 1.00 0.00 C ATOM 877 C ASN A 57 -2.602 -4.309 12.952 1.00 0.00 C ATOM 878 O ASN A 57 -2.171 -3.513 13.786 1.00 0.00 O ATOM 879 CB ASN A 57 -4.446 -5.836 13.581 1.00 0.00 C ATOM 880 CG ASN A 57 -5.260 -5.526 14.839 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.479 -5.568 14.847 1.00 0.00 O ATOM 882 ND2 ASN A 57 -4.519 -5.215 15.899 1.00 0.00 N ATOM 0 H ASN A 57 -4.744 -5.608 11.123 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.677 -3.724 13.234 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.010 -6.509 12.935 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.527 -6.354 13.856 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.968 -4.993 16.788 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.502 -5.199 15.823 1.00 0.00 H new ATOM 889 N ILE A 58 -1.845 -5.007 12.119 1.00 0.00 N ATOM 890 CA ILE A 58 -0.398 -4.875 12.134 1.00 0.00 C ATOM 891 C ILE A 58 0.011 -3.685 11.264 1.00 0.00 C ATOM 892 O ILE A 58 1.108 -3.150 11.412 1.00 0.00 O ATOM 893 CB ILE A 58 0.264 -6.192 11.724 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.028 -6.521 10.259 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.150 -7.329 12.660 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.556 -7.881 9.874 1.00 0.00 C ATOM 0 H ILE A 58 -2.206 -5.666 11.429 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.045 -4.668 13.144 1.00 0.00 H new ATOM 0 HB ILE A 58 1.344 -6.074 11.818 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.105 -6.523 10.091 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.393 -5.746 9.618 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.335 -8.253 12.346 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.152 -7.089 13.680 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.232 -7.456 12.622 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.334 -8.089 8.827 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.636 -7.868 10.020 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.115 -8.657 10.500 1.00 0.00 H new ATOM 908 N LEU A 59 -0.895 -3.305 10.374 1.00 0.00 N ATOM 909 CA LEU A 59 -0.643 -2.187 9.480 1.00 0.00 C ATOM 910 C LEU A 59 -0.511 -0.903 10.300 1.00 0.00 C ATOM 911 O LEU A 59 -0.886 -0.869 11.471 1.00 0.00 O ATOM 912 CB LEU A 59 -1.719 -2.116 8.395 1.00 0.00 C ATOM 913 CG LEU A 59 -1.780 -3.303 7.431 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.879 -3.106 6.386 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.415 -3.557 6.787 1.00 0.00 C ATOM 0 H LEU A 59 -1.804 -3.751 10.253 1.00 0.00 H new ATOM 0 HA LEU A 59 0.301 -2.327 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.690 -2.017 8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.560 -1.208 7.813 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.037 -4.194 8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.900 -3.964 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.843 -3.012 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.678 -2.201 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.486 -4.406 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.104 -2.672 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.319 -3.775 7.563 1.00 0.00 H new ATOM 927 N GLY A 60 0.023 0.123 9.653 1.00 0.00 N ATOM 928 CA GLY A 60 0.209 1.406 10.308 1.00 0.00 C ATOM 929 C GLY A 60 0.471 2.512 9.284 1.00 0.00 C ATOM 930 O GLY A 60 1.131 2.281 8.272 1.00 0.00 O ATOM 0 H GLY A 60 0.333 0.091 8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.677 1.651 10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.045 1.345 11.004 1.00 0.00 H new