USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=9 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 56 CYS SG : rot 180:sc= 0.0263 USER MOD Set 1.2: A 57 ASN : amide:sc= 0 K(o=0.026,f=-1.1) 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+ -143:sc= 0.419 (180deg=-0.0928) 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= 0.00823 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 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.15) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.333 4.875 -2.469 1.00 0.00 N ATOM 67 CA LYS A 8 0.387 4.929 -1.018 1.00 0.00 C ATOM 68 C LYS A 8 1.218 3.754 -0.499 1.00 0.00 C ATOM 69 O LYS A 8 1.534 2.833 -1.251 1.00 0.00 O ATOM 70 CB LYS A 8 -1.024 4.991 -0.431 1.00 0.00 C ATOM 71 CG LYS A 8 -1.586 6.413 -0.502 1.00 0.00 C ATOM 72 CD LYS A 8 -2.867 6.455 -1.338 1.00 0.00 C ATOM 73 CE LYS A 8 -2.584 6.977 -2.748 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.397 6.244 -3.745 1.00 0.00 N ATOM 0 HA LYS A 8 0.884 5.842 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.678 4.310 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.005 4.655 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.792 6.777 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.842 7.081 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.301 5.457 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.603 7.094 -0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.808 8.042 -2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.525 6.863 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.193 6.611 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.163 5.231 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.407 6.374 -3.533 1.00 0.00 H new ATOM 88 N TYR A 9 1.549 3.824 0.782 1.00 0.00 N ATOM 89 CA TYR A 9 2.337 2.777 1.410 1.00 0.00 C ATOM 90 C TYR A 9 1.896 2.553 2.858 1.00 0.00 C ATOM 91 O TYR A 9 1.239 3.407 3.450 1.00 0.00 O ATOM 92 CB TYR A 9 3.783 3.276 1.402 1.00 0.00 C ATOM 93 CG TYR A 9 4.412 3.338 0.008 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.692 2.172 -0.675 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.699 4.560 -0.566 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.284 2.230 -1.986 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.291 4.618 -1.877 1.00 0.00 C ATOM 98 CZ TYR A 9 5.554 3.450 -2.523 1.00 0.00 C ATOM 99 OH TYR A 9 6.113 3.505 -3.761 1.00 0.00 O ATOM 0 H TYR A 9 1.286 4.590 1.402 1.00 0.00 H new ATOM 0 HA TYR A 9 2.217 1.834 0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.816 4.270 1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.386 2.622 2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.467 1.216 -0.226 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.479 5.473 -0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.509 1.325 -2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.521 5.567 -2.337 1.00 0.00 H new ATOM 0 HH TYR A 9 6.249 4.441 -4.017 1.00 0.00 H new ATOM 109 N VAL A 10 2.274 1.398 3.385 1.00 0.00 N ATOM 110 CA VAL A 10 1.926 1.050 4.753 1.00 0.00 C ATOM 111 C VAL A 10 3.163 0.498 5.465 1.00 0.00 C ATOM 112 O VAL A 10 4.010 -0.139 4.841 1.00 0.00 O ATOM 113 CB VAL A 10 0.747 0.075 4.760 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.120 -1.242 4.078 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.246 -0.168 6.185 1.00 0.00 C ATOM 0 H VAL A 10 2.818 0.691 2.890 1.00 0.00 H new ATOM 0 HA VAL A 10 1.603 1.934 5.302 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.065 0.528 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.264 -1.917 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.406 -1.048 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.956 -1.701 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.592 -0.864 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.051 -0.589 6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.079 0.776 6.623 1.00 0.00 H new ATOM 125 N LYS A 11 3.227 0.763 6.761 1.00 0.00 N ATOM 126 CA LYS A 11 4.346 0.301 7.565 1.00 0.00 C ATOM 127 C LYS A 11 3.883 -0.848 8.464 1.00 0.00 C ATOM 128 O LYS A 11 2.897 -0.715 9.187 1.00 0.00 O ATOM 129 CB LYS A 11 4.973 1.467 8.331 1.00 0.00 C ATOM 130 CG LYS A 11 6.385 1.116 8.804 1.00 0.00 C ATOM 131 CD LYS A 11 6.736 1.868 10.090 1.00 0.00 C ATOM 132 CE LYS A 11 7.673 1.040 10.972 1.00 0.00 C ATOM 133 NZ LYS A 11 8.196 1.862 12.086 1.00 0.00 N ATOM 0 H LYS A 11 2.522 1.292 7.275 1.00 0.00 H new ATOM 0 HA LYS A 11 5.137 -0.092 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.008 2.349 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.350 1.720 9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.458 0.042 8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.106 1.365 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.209 2.818 9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.824 2.100 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.140 0.176 11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.501 0.657 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.185 1.602 12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.145 2.868 11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.626 1.694 12.939 1.00 0.00 H new ATOM 147 N ILE A 12 4.616 -1.948 8.389 1.00 0.00 N ATOM 148 CA ILE A 12 4.293 -3.119 9.186 1.00 0.00 C ATOM 149 C ILE A 12 4.652 -2.849 10.649 1.00 0.00 C ATOM 150 O ILE A 12 5.776 -2.455 10.953 1.00 0.00 O ATOM 151 CB ILE A 12 4.967 -4.365 8.608 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.719 -4.473 7.102 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.524 -5.625 9.354 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.228 -4.351 6.781 1.00 0.00 C ATOM 0 H ILE A 12 5.433 -2.054 7.788 1.00 0.00 H new ATOM 0 HA ILE A 12 3.222 -3.320 9.151 1.00 0.00 H new ATOM 0 HB ILE A 12 6.043 -4.269 8.751 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.272 -3.691 6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.097 -5.428 6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.018 -6.496 8.923 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.794 -5.539 10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.444 -5.740 9.265 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.080 -4.431 5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.681 -5.149 7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.859 -3.385 7.127 1.00 0.00 H new ATOM 166 N LEU A 13 3.675 -3.072 11.515 1.00 0.00 N ATOM 167 CA LEU A 13 3.873 -2.858 12.939 1.00 0.00 C ATOM 168 C LEU A 13 4.271 -4.180 13.598 1.00 0.00 C ATOM 169 O LEU A 13 4.865 -4.186 14.675 1.00 0.00 O ATOM 170 CB LEU A 13 2.635 -2.209 13.561 1.00 0.00 C ATOM 171 CG LEU A 13 2.205 -0.870 12.957 1.00 0.00 C ATOM 172 CD1 LEU A 13 0.861 -0.417 13.530 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.294 0.189 13.141 1.00 0.00 C ATOM 0 H LEU A 13 2.743 -3.399 11.258 1.00 0.00 H new ATOM 0 HA LEU A 13 4.691 -2.157 13.109 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.802 -2.907 13.477 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.822 -2.062 14.625 1.00 0.00 H new ATOM 0 HG LEU A 13 2.067 -1.007 11.884 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.578 0.537 13.084 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.099 -1.163 13.304 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.946 -0.302 14.610 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.963 1.131 12.703 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.487 0.331 14.204 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.208 -0.140 12.647 1.00 0.00 H new ATOM 185 N TYR A 14 3.928 -5.268 12.925 1.00 0.00 N ATOM 186 CA TYR A 14 4.242 -6.593 13.432 1.00 0.00 C ATOM 187 C TYR A 14 4.633 -7.537 12.294 1.00 0.00 C ATOM 188 O TYR A 14 4.077 -7.460 11.199 1.00 0.00 O ATOM 189 CB TYR A 14 2.959 -7.108 14.088 1.00 0.00 C ATOM 190 CG TYR A 14 2.539 -6.325 15.334 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.095 -6.630 16.560 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.605 -5.315 15.232 1.00 0.00 C ATOM 193 CE1 TYR A 14 2.700 -5.894 17.732 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.210 -4.578 16.404 1.00 0.00 C ATOM 195 CZ TYR A 14 1.777 -4.904 17.597 1.00 0.00 C ATOM 196 OH TYR A 14 1.404 -4.209 18.704 1.00 0.00 O ATOM 0 H TYR A 14 3.435 -5.259 12.032 1.00 0.00 H new ATOM 0 HA TYR A 14 5.079 -6.549 14.128 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.150 -7.071 13.358 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.096 -8.155 14.359 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.826 -7.421 16.640 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.170 -5.077 14.273 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.127 -6.123 18.697 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.480 -3.785 16.338 1.00 0.00 H new ATOM 0 HH TYR A 14 0.739 -3.532 18.457 1.00 0.00 H new ATOM 206 N ASP A 15 5.588 -8.406 12.591 1.00 0.00 N ATOM 207 CA ASP A 15 6.061 -9.364 11.606 1.00 0.00 C ATOM 208 C ASP A 15 4.994 -10.441 11.396 1.00 0.00 C ATOM 209 O ASP A 15 4.742 -11.252 12.286 1.00 0.00 O ATOM 210 CB ASP A 15 7.342 -10.054 12.079 1.00 0.00 C ATOM 211 CG ASP A 15 8.275 -9.179 12.918 1.00 0.00 C ATOM 212 OD1 ASP A 15 7.878 -8.856 14.058 1.00 0.00 O ATOM 213 OD2 ASP A 15 9.365 -8.852 12.400 1.00 0.00 O ATOM 0 H ASP A 15 6.047 -8.467 13.500 1.00 0.00 H new ATOM 0 HA ASP A 15 6.263 -8.825 10.681 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.069 -10.933 12.664 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.889 -10.409 11.206 1.00 0.00 H new ATOM 218 N PHE A 16 4.397 -10.415 10.214 1.00 0.00 N ATOM 219 CA PHE A 16 3.364 -11.379 9.875 1.00 0.00 C ATOM 220 C PHE A 16 3.863 -12.372 8.824 1.00 0.00 C ATOM 221 O PHE A 16 4.584 -11.994 7.902 1.00 0.00 O ATOM 222 CB PHE A 16 2.188 -10.589 9.297 1.00 0.00 C ATOM 223 CG PHE A 16 0.936 -11.432 9.046 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.168 -11.837 10.092 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.591 -11.776 7.776 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.994 -12.619 9.859 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.571 -12.559 7.543 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.339 -12.964 8.589 1.00 0.00 C ATOM 0 H PHE A 16 4.609 -9.741 9.478 1.00 0.00 H new ATOM 0 HA PHE A 16 3.078 -11.945 10.762 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.937 -9.778 9.981 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.498 -10.129 8.359 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.442 -11.564 11.100 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.201 -11.454 6.945 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.604 -12.940 10.690 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.844 -12.833 6.535 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.223 -13.559 8.412 1.00 0.00 H new ATOM 238 N THR A 17 3.459 -13.621 8.998 1.00 0.00 N ATOM 239 CA THR A 17 3.857 -14.671 8.075 1.00 0.00 C ATOM 240 C THR A 17 2.625 -15.313 7.434 1.00 0.00 C ATOM 241 O THR A 17 1.782 -15.878 8.130 1.00 0.00 O ATOM 242 CB THR A 17 4.732 -15.667 8.840 1.00 0.00 C ATOM 243 OG1 THR A 17 5.989 -15.006 8.957 1.00 0.00 O ATOM 244 CG2 THR A 17 5.045 -16.921 8.021 1.00 0.00 C ATOM 0 H THR A 17 2.860 -13.930 9.764 1.00 0.00 H new ATOM 0 HA THR A 17 4.443 -14.269 7.248 1.00 0.00 H new ATOM 0 HB THR A 17 4.232 -15.953 9.765 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.617 -15.581 9.442 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.668 -17.594 8.610 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.115 -17.425 7.757 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.575 -16.639 7.111 1.00 0.00 H new ATOM 252 N ALA A 18 2.558 -15.203 6.116 1.00 0.00 N ATOM 253 CA ALA A 18 1.443 -15.766 5.373 1.00 0.00 C ATOM 254 C ALA A 18 1.080 -17.130 5.963 1.00 0.00 C ATOM 255 O ALA A 18 1.878 -18.064 5.913 1.00 0.00 O ATOM 256 CB ALA A 18 1.808 -15.850 3.890 1.00 0.00 C ATOM 0 H ALA A 18 3.258 -14.732 5.543 1.00 0.00 H new ATOM 0 HA ALA A 18 0.564 -15.127 5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.972 -16.272 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.028 -14.852 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.684 -16.486 3.766 1.00 0.00 H new ATOM 324 N GLU A 23 -2.343 -14.889 1.715 1.00 0.00 N ATOM 325 CA GLU A 23 -1.670 -14.109 2.741 1.00 0.00 C ATOM 326 C GLU A 23 -0.276 -13.697 2.264 1.00 0.00 C ATOM 327 O GLU A 23 0.277 -14.306 1.349 1.00 0.00 O ATOM 328 CB GLU A 23 -1.592 -14.886 4.057 1.00 0.00 C ATOM 329 CG GLU A 23 -2.980 -15.352 4.501 1.00 0.00 C ATOM 330 CD GLU A 23 -2.968 -15.788 5.968 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.005 -15.405 6.666 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.922 -16.495 6.357 1.00 0.00 O ATOM 0 HA GLU A 23 -2.252 -13.206 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.936 -15.748 3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.151 -14.256 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.700 -14.545 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.307 -16.181 3.874 1.00 0.00 H new ATOM 339 N LEU A 24 0.252 -12.665 2.905 1.00 0.00 N ATOM 340 CA LEU A 24 1.571 -12.163 2.558 1.00 0.00 C ATOM 341 C LEU A 24 2.468 -12.202 3.797 1.00 0.00 C ATOM 342 O LEU A 24 2.010 -11.942 4.908 1.00 0.00 O ATOM 343 CB LEU A 24 1.466 -10.778 1.917 1.00 0.00 C ATOM 344 CG LEU A 24 2.597 -10.395 0.960 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.442 -11.106 -0.385 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.687 -8.876 0.798 1.00 0.00 C ATOM 0 H LEU A 24 -0.210 -12.162 3.663 1.00 0.00 H new ATOM 0 HA LEU A 24 2.036 -12.801 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.522 -10.721 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.422 -10.034 2.712 1.00 0.00 H new ATOM 0 HG LEU A 24 3.539 -10.729 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.259 -10.816 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.465 -12.185 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.491 -10.825 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.499 -8.631 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.747 -8.496 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.880 -8.417 1.768 1.00 0.00 H new ATOM 358 N SER A 25 3.731 -12.528 3.563 1.00 0.00 N ATOM 359 CA SER A 25 4.697 -12.603 4.646 1.00 0.00 C ATOM 360 C SER A 25 5.534 -11.323 4.691 1.00 0.00 C ATOM 361 O SER A 25 6.286 -11.037 3.760 1.00 0.00 O ATOM 362 CB SER A 25 5.604 -13.826 4.491 1.00 0.00 C ATOM 363 OG SER A 25 5.914 -14.091 3.126 1.00 0.00 O ATOM 0 H SER A 25 4.107 -12.743 2.640 1.00 0.00 H new ATOM 0 HA SER A 25 4.152 -12.705 5.584 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.527 -13.666 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.116 -14.697 4.928 1.00 0.00 H new ATOM 0 HG SER A 25 6.496 -14.878 3.069 1.00 0.00 H new ATOM 369 N VAL A 26 5.376 -10.588 5.781 1.00 0.00 N ATOM 370 CA VAL A 26 6.108 -9.346 5.959 1.00 0.00 C ATOM 371 C VAL A 26 6.676 -9.292 7.379 1.00 0.00 C ATOM 372 O VAL A 26 6.185 -9.978 8.274 1.00 0.00 O ATOM 373 CB VAL A 26 5.206 -8.155 5.631 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.768 -8.186 4.165 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.994 -8.111 6.564 1.00 0.00 C ATOM 0 H VAL A 26 4.751 -10.829 6.551 1.00 0.00 H new ATOM 0 HA VAL A 26 6.951 -9.298 5.270 1.00 0.00 H new ATOM 0 HB VAL A 26 5.784 -7.244 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.128 -7.328 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.647 -8.146 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.217 -9.106 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.369 -7.255 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.416 -9.028 6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.332 -8.019 7.596 1.00 0.00 H new ATOM 385 N LEU A 27 7.702 -8.470 7.541 1.00 0.00 N ATOM 386 CA LEU A 27 8.342 -8.318 8.837 1.00 0.00 C ATOM 387 C LEU A 27 7.853 -7.025 9.494 1.00 0.00 C ATOM 388 O LEU A 27 7.054 -6.293 8.912 1.00 0.00 O ATOM 389 CB LEU A 27 9.863 -8.398 8.696 1.00 0.00 C ATOM 390 CG LEU A 27 10.452 -9.805 8.570 1.00 0.00 C ATOM 391 CD1 LEU A 27 9.898 -10.730 9.654 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.227 -10.369 7.165 1.00 0.00 C ATOM 0 H LEU A 27 8.106 -7.902 6.796 1.00 0.00 H new ATOM 0 HA LEU A 27 8.062 -9.138 9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.157 -7.822 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.314 -7.913 9.561 1.00 0.00 H new ATOM 0 HG LEU A 27 11.529 -9.740 8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.333 -11.723 9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.152 -10.332 10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.814 -10.795 9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.655 -11.370 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.158 -10.418 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.708 -9.722 6.432 1.00 0.00 H new ATOM 404 N LYS A 28 8.352 -6.785 10.697 1.00 0.00 N ATOM 405 CA LYS A 28 7.976 -5.594 11.440 1.00 0.00 C ATOM 406 C LYS A 28 8.902 -4.441 11.048 1.00 0.00 C ATOM 407 O LYS A 28 10.099 -4.641 10.849 1.00 0.00 O ATOM 408 CB LYS A 28 7.954 -5.883 12.942 1.00 0.00 C ATOM 409 CG LYS A 28 7.840 -4.588 13.748 1.00 0.00 C ATOM 410 CD LYS A 28 9.147 -4.281 14.482 1.00 0.00 C ATOM 411 CE LYS A 28 8.903 -3.347 15.668 1.00 0.00 C ATOM 412 NZ LYS A 28 9.379 -3.969 16.924 1.00 0.00 N ATOM 0 H LYS A 28 9.014 -7.395 11.176 1.00 0.00 H new ATOM 0 HA LYS A 28 6.961 -5.290 11.184 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.115 -6.537 13.178 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.862 -6.414 13.227 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.590 -3.762 13.082 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.026 -4.674 14.468 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.598 -5.209 14.832 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.856 -3.822 13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.419 -2.401 15.505 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.840 -3.121 15.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.206 -3.322 17.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.868 -4.860 17.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.398 -4.163 16.851 1.00 0.00 H new ATOM 426 N ASP A 29 8.312 -3.258 10.950 1.00 0.00 N ATOM 427 CA ASP A 29 9.070 -2.073 10.586 1.00 0.00 C ATOM 428 C ASP A 29 9.169 -1.984 9.062 1.00 0.00 C ATOM 429 O ASP A 29 9.616 -0.973 8.523 1.00 0.00 O ATOM 430 CB ASP A 29 10.491 -2.132 11.150 1.00 0.00 C ATOM 431 CG ASP A 29 11.153 -0.772 11.380 1.00 0.00 C ATOM 432 OD1 ASP A 29 10.406 0.230 11.378 1.00 0.00 O ATOM 433 OD2 ASP A 29 12.391 -0.766 11.552 1.00 0.00 O ATOM 0 H ASP A 29 7.319 -3.095 11.116 1.00 0.00 H new ATOM 0 HA ASP A 29 8.555 -1.205 10.997 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.468 -2.673 12.096 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.113 -2.711 10.467 1.00 0.00 H new ATOM 438 N GLU A 30 8.744 -3.057 8.410 1.00 0.00 N ATOM 439 CA GLU A 30 8.780 -3.113 6.958 1.00 0.00 C ATOM 440 C GLU A 30 7.763 -2.136 6.364 1.00 0.00 C ATOM 441 O GLU A 30 6.908 -1.614 7.078 1.00 0.00 O ATOM 442 CB GLU A 30 8.529 -4.537 6.458 1.00 0.00 C ATOM 443 CG GLU A 30 9.806 -5.376 6.529 1.00 0.00 C ATOM 444 CD GLU A 30 10.609 -5.047 7.790 1.00 0.00 C ATOM 445 OE1 GLU A 30 11.287 -3.997 7.773 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.526 -5.853 8.741 1.00 0.00 O ATOM 0 H GLU A 30 8.373 -3.894 8.860 1.00 0.00 H new ATOM 0 HA GLU A 30 9.775 -2.817 6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.749 -5.005 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.166 -4.507 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.550 -6.436 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.417 -5.190 5.646 1.00 0.00 H new ATOM 453 N VAL A 31 7.890 -1.917 5.064 1.00 0.00 N ATOM 454 CA VAL A 31 6.993 -1.012 4.366 1.00 0.00 C ATOM 455 C VAL A 31 6.530 -1.665 3.062 1.00 0.00 C ATOM 456 O VAL A 31 7.349 -2.019 2.215 1.00 0.00 O ATOM 457 CB VAL A 31 7.678 0.339 4.148 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.858 1.224 3.207 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.935 1.044 5.480 1.00 0.00 C ATOM 0 H VAL A 31 8.601 -2.351 4.475 1.00 0.00 H new ATOM 0 HA VAL A 31 6.104 -0.817 4.966 1.00 0.00 H new ATOM 0 HB VAL A 31 8.643 0.154 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.367 2.178 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.750 0.728 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.872 1.398 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.423 2.002 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.987 1.211 5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.579 0.422 6.102 1.00 0.00 H new ATOM 469 N LEU A 32 5.218 -1.805 2.941 1.00 0.00 N ATOM 470 CA LEU A 32 4.636 -2.409 1.754 1.00 0.00 C ATOM 471 C LEU A 32 3.838 -1.352 0.989 1.00 0.00 C ATOM 472 O LEU A 32 3.712 -0.215 1.441 1.00 0.00 O ATOM 473 CB LEU A 32 3.817 -3.646 2.129 1.00 0.00 C ATOM 474 CG LEU A 32 4.612 -4.840 2.663 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.638 -5.319 1.634 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.260 -4.510 4.009 1.00 0.00 C ATOM 0 H LEU A 32 4.541 -1.511 3.645 1.00 0.00 H new ATOM 0 HA LEU A 32 5.419 -2.765 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.083 -3.357 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.261 -3.969 1.249 1.00 0.00 H new ATOM 0 HG LEU A 32 3.919 -5.664 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.189 -6.168 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.124 -5.621 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.332 -4.510 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.819 -5.375 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.938 -3.665 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.486 -4.254 4.733 1.00 0.00 H new ATOM 488 N GLU A 33 3.319 -1.765 -0.158 1.00 0.00 N ATOM 489 CA GLU A 33 2.536 -0.867 -0.991 1.00 0.00 C ATOM 490 C GLU A 33 1.055 -1.250 -0.938 1.00 0.00 C ATOM 491 O GLU A 33 0.682 -2.357 -1.323 1.00 0.00 O ATOM 492 CB GLU A 33 3.051 -0.868 -2.432 1.00 0.00 C ATOM 493 CG GLU A 33 2.121 -0.068 -3.347 1.00 0.00 C ATOM 494 CD GLU A 33 2.903 0.586 -4.488 1.00 0.00 C ATOM 495 OE1 GLU A 33 4.058 0.987 -4.227 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.329 0.670 -5.595 1.00 0.00 O ATOM 0 H GLU A 33 3.425 -2.709 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 33 2.644 0.145 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.054 -0.442 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.129 -1.893 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.355 -0.726 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.607 0.699 -2.768 1.00 0.00 H new ATOM 503 N VAL A 34 0.252 -0.312 -0.458 1.00 0.00 N ATOM 504 CA VAL A 34 -1.179 -0.537 -0.349 1.00 0.00 C ATOM 505 C VAL A 34 -1.830 -0.325 -1.718 1.00 0.00 C ATOM 506 O VAL A 34 -1.565 0.672 -2.387 1.00 0.00 O ATOM 507 CB VAL A 34 -1.769 0.363 0.739 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.772 1.828 0.297 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.177 -0.095 1.126 1.00 0.00 C ATOM 0 H VAL A 34 0.565 0.605 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.382 -1.565 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.135 0.280 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.196 2.446 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.750 2.149 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.372 1.934 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.573 0.561 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.826 -0.056 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.137 -1.117 1.502 1.00 0.00 H new ATOM 519 N LEU A 35 -2.669 -1.280 -2.092 1.00 0.00 N ATOM 520 CA LEU A 35 -3.359 -1.211 -3.369 1.00 0.00 C ATOM 521 C LEU A 35 -4.867 -1.123 -3.124 1.00 0.00 C ATOM 522 O LEU A 35 -5.537 -0.244 -3.665 1.00 0.00 O ATOM 523 CB LEU A 35 -2.949 -2.381 -4.264 1.00 0.00 C ATOM 524 CG LEU A 35 -1.541 -2.937 -4.039 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.432 -4.376 -4.545 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.485 -2.026 -4.668 1.00 0.00 C ATOM 0 H LEU A 35 -2.886 -2.105 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.070 -0.310 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.665 -3.190 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.031 -2.063 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.350 -2.958 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.421 -4.747 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.145 -5.004 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.652 -4.404 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.506 -2.444 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.663 -1.949 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.545 -1.035 -4.218 1.00 0.00 H new ATOM 538 N GLU A 36 -5.357 -2.046 -2.310 1.00 0.00 N ATOM 539 CA GLU A 36 -6.773 -2.084 -1.987 1.00 0.00 C ATOM 540 C GLU A 36 -6.983 -1.839 -0.492 1.00 0.00 C ATOM 541 O GLU A 36 -6.424 -2.549 0.342 1.00 0.00 O ATOM 542 CB GLU A 36 -7.398 -3.412 -2.418 1.00 0.00 C ATOM 543 CG GLU A 36 -8.172 -3.254 -3.729 1.00 0.00 C ATOM 544 CD GLU A 36 -9.241 -2.167 -3.607 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.238 -2.428 -2.898 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.039 -1.099 -4.224 1.00 0.00 O ATOM 0 H GLU A 36 -4.798 -2.774 -1.864 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.273 -1.289 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.617 -4.163 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.068 -3.773 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.482 -3.002 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.640 -4.201 -3.995 1.00 0.00 H new ATOM 553 N ASP A 37 -7.791 -0.831 -0.198 1.00 0.00 N ATOM 554 CA ASP A 37 -8.083 -0.483 1.183 1.00 0.00 C ATOM 555 C ASP A 37 -9.589 -0.273 1.344 1.00 0.00 C ATOM 556 O ASP A 37 -10.331 -0.289 0.363 1.00 0.00 O ATOM 557 CB ASP A 37 -7.378 0.814 1.584 1.00 0.00 C ATOM 558 CG ASP A 37 -8.109 2.097 1.184 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.138 2.378 -0.034 1.00 0.00 O ATOM 560 OD2 ASP A 37 -8.622 2.769 2.105 1.00 0.00 O ATOM 0 H ASP A 37 -8.253 -0.244 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.731 -1.296 1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.239 0.815 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.385 0.824 1.135 1.00 0.00 H new ATOM 565 N GLY A 38 -9.998 -0.080 2.590 1.00 0.00 N ATOM 566 CA GLY A 38 -11.403 0.133 2.892 1.00 0.00 C ATOM 567 C GLY A 38 -12.058 -1.156 3.390 1.00 0.00 C ATOM 568 O GLY A 38 -13.161 -1.126 3.935 1.00 0.00 O ATOM 0 H GLY A 38 -9.381 -0.067 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.502 0.911 3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.921 0.487 2.001 1.00 0.00 H new ATOM 572 N ARG A 39 -11.352 -2.259 3.186 1.00 0.00 N ATOM 573 CA ARG A 39 -11.852 -3.557 3.607 1.00 0.00 C ATOM 574 C ARG A 39 -11.074 -4.054 4.826 1.00 0.00 C ATOM 575 O ARG A 39 -10.009 -3.527 5.146 1.00 0.00 O ATOM 576 CB ARG A 39 -11.732 -4.585 2.480 1.00 0.00 C ATOM 577 CG ARG A 39 -13.073 -4.775 1.767 1.00 0.00 C ATOM 578 CD ARG A 39 -13.451 -6.256 1.696 1.00 0.00 C ATOM 579 NE ARG A 39 -14.884 -6.428 2.023 1.00 0.00 N ATOM 580 CZ ARG A 39 -15.888 -5.968 1.265 1.00 0.00 C ATOM 581 NH1 ARG A 39 -15.622 -5.304 0.131 1.00 0.00 N ATOM 582 NH2 ARG A 39 -17.159 -6.171 1.640 1.00 0.00 N ATOM 0 H ARG A 39 -10.438 -2.280 2.735 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.904 -3.440 3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.978 -4.259 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.394 -5.538 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.851 -4.222 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.015 -4.362 0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.248 -6.644 0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.839 -6.830 2.392 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.122 -6.928 2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.655 -5.149 -0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.387 -4.954 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.362 -6.676 2.503 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.923 -5.821 1.063 1.00 0.00 H new ATOM 596 N GLN A 40 -11.636 -5.064 5.475 1.00 0.00 N ATOM 597 CA GLN A 40 -11.008 -5.639 6.652 1.00 0.00 C ATOM 598 C GLN A 40 -9.514 -5.857 6.405 1.00 0.00 C ATOM 599 O GLN A 40 -8.677 -5.192 7.014 1.00 0.00 O ATOM 600 CB GLN A 40 -11.693 -6.946 7.056 1.00 0.00 C ATOM 601 CG GLN A 40 -12.994 -6.672 7.812 1.00 0.00 C ATOM 602 CD GLN A 40 -13.031 -7.439 9.136 1.00 0.00 C ATOM 603 OE1 GLN A 40 -13.757 -8.405 9.303 1.00 0.00 O ATOM 604 NE2 GLN A 40 -12.210 -6.956 10.064 1.00 0.00 N ATOM 0 H GLN A 40 -12.519 -5.498 5.208 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.121 -4.937 7.478 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.903 -7.541 6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.022 -7.534 7.682 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.089 -5.603 8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.845 -6.962 7.196 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.629 -6.143 9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.161 -7.398 10.982 1.00 0.00 H new ATOM 613 N TRP A 41 -9.225 -6.790 5.510 1.00 0.00 N ATOM 614 CA TRP A 41 -7.846 -7.103 5.174 1.00 0.00 C ATOM 615 C TRP A 41 -7.451 -6.258 3.961 1.00 0.00 C ATOM 616 O TRP A 41 -8.199 -6.174 2.988 1.00 0.00 O ATOM 617 CB TRP A 41 -7.666 -8.604 4.941 1.00 0.00 C ATOM 618 CG TRP A 41 -7.900 -9.460 6.187 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.993 -9.510 6.961 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.970 -10.394 6.776 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.836 -10.403 8.001 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.567 -10.958 7.885 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.668 -10.750 6.384 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.936 -11.911 8.693 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.051 -11.704 7.202 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.638 -12.281 8.322 1.00 0.00 C ATOM 0 H TRP A 41 -9.922 -7.339 5.007 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.182 -6.855 6.002 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.353 -8.925 4.158 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.656 -8.785 4.573 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.885 -8.925 6.792 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.525 -10.617 8.722 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.182 -10.321 5.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.424 -12.338 9.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.049 -12.013 6.945 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.095 -13.012 8.903 1.00 0.00 H new ATOM 637 N TRP A 42 -6.276 -5.653 4.059 1.00 0.00 N ATOM 638 CA TRP A 42 -5.773 -4.817 2.983 1.00 0.00 C ATOM 639 C TRP A 42 -4.961 -5.704 2.036 1.00 0.00 C ATOM 640 O TRP A 42 -4.567 -6.810 2.402 1.00 0.00 O ATOM 641 CB TRP A 42 -4.969 -3.638 3.534 1.00 0.00 C ATOM 642 CG TRP A 42 -5.796 -2.655 4.364 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.115 -2.681 4.601 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.303 -1.491 5.062 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.507 -1.624 5.397 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.370 -0.877 5.686 1.00 0.00 C ATOM 647 CE3 TRP A 42 -4.000 -0.975 5.162 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.242 0.286 6.455 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.889 0.188 5.933 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.953 0.818 6.568 1.00 0.00 C ATOM 0 H TRP A 42 -5.658 -5.725 4.867 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.596 -4.371 2.424 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.155 -4.022 4.149 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.513 -3.101 2.702 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.787 -3.435 4.217 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.456 -1.427 5.715 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.151 -1.439 4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.092 0.747 6.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.908 0.627 6.042 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.785 1.715 7.146 1.00 0.00 H new ATOM 661 N LYS A 43 -4.735 -5.185 0.839 1.00 0.00 N ATOM 662 CA LYS A 43 -3.977 -5.916 -0.163 1.00 0.00 C ATOM 663 C LYS A 43 -2.676 -5.166 -0.459 1.00 0.00 C ATOM 664 O LYS A 43 -2.672 -4.198 -1.217 1.00 0.00 O ATOM 665 CB LYS A 43 -4.835 -6.171 -1.403 1.00 0.00 C ATOM 666 CG LYS A 43 -4.200 -7.236 -2.300 1.00 0.00 C ATOM 667 CD LYS A 43 -4.772 -7.172 -3.717 1.00 0.00 C ATOM 668 CE LYS A 43 -4.112 -8.213 -4.623 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.122 -9.161 -5.145 1.00 0.00 N ATOM 0 H LYS A 43 -5.063 -4.267 0.540 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.700 -6.901 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.831 -6.493 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.956 -5.244 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.120 -7.092 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.377 -8.225 -1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.848 -7.342 -3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.618 -6.175 -4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.609 -7.715 -5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.348 -8.756 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.657 -9.861 -5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.583 -9.649 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.836 -8.640 -5.693 1.00 0.00 H new ATOM 683 N LEU A 44 -1.603 -5.644 0.155 1.00 0.00 N ATOM 684 CA LEU A 44 -0.299 -5.031 -0.034 1.00 0.00 C ATOM 685 C LEU A 44 0.526 -5.885 -0.999 1.00 0.00 C ATOM 686 O LEU A 44 0.225 -7.059 -1.207 1.00 0.00 O ATOM 687 CB LEU A 44 0.382 -4.796 1.316 1.00 0.00 C ATOM 688 CG LEU A 44 -0.521 -4.294 2.445 1.00 0.00 C ATOM 689 CD1 LEU A 44 -1.202 -2.980 2.059 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.533 -5.366 2.854 1.00 0.00 C ATOM 0 H LEU A 44 -1.610 -6.448 0.783 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.403 -4.046 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.844 -5.730 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.187 -4.075 1.174 1.00 0.00 H new ATOM 0 HG LEU A 44 0.102 -4.090 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.838 -2.645 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.444 -2.224 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.810 -3.134 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.163 -4.984 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.155 -5.625 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.003 -6.254 3.199 1.00 0.00 H new ATOM 702 N ARG A 45 1.551 -5.262 -1.562 1.00 0.00 N ATOM 703 CA ARG A 45 2.422 -5.950 -2.500 1.00 0.00 C ATOM 704 C ARG A 45 3.888 -5.691 -2.150 1.00 0.00 C ATOM 705 O ARG A 45 4.323 -4.542 -2.094 1.00 0.00 O ATOM 706 CB ARG A 45 2.158 -5.490 -3.935 1.00 0.00 C ATOM 707 CG ARG A 45 3.091 -6.200 -4.918 1.00 0.00 C ATOM 708 CD ARG A 45 3.470 -5.277 -6.078 1.00 0.00 C ATOM 709 NE ARG A 45 4.670 -4.487 -5.725 1.00 0.00 N ATOM 710 CZ ARG A 45 5.196 -3.531 -6.503 1.00 0.00 C ATOM 711 NH1 ARG A 45 4.632 -3.242 -7.683 1.00 0.00 N ATOM 712 NH2 ARG A 45 6.288 -2.865 -6.101 1.00 0.00 N ATOM 0 H ARG A 45 1.798 -4.288 -1.387 1.00 0.00 H new ATOM 0 HA ARG A 45 2.211 -7.017 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.121 -5.693 -4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.300 -4.412 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.992 -6.526 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.604 -7.095 -5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.663 -5.866 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.640 -4.609 -6.308 1.00 0.00 H new ATOM 0 HE ARG A 45 5.126 -4.682 -4.834 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.802 -3.750 -7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.032 -2.514 -8.275 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.718 -3.086 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.688 -2.137 -6.693 1.00 0.00 H new ATOM 726 N SER A 46 4.611 -6.779 -1.924 1.00 0.00 N ATOM 727 CA SER A 46 6.019 -6.684 -1.582 1.00 0.00 C ATOM 728 C SER A 46 6.816 -6.168 -2.782 1.00 0.00 C ATOM 729 O SER A 46 6.329 -6.190 -3.911 1.00 0.00 O ATOM 730 CB SER A 46 6.567 -8.036 -1.123 1.00 0.00 C ATOM 731 OG SER A 46 7.668 -7.892 -0.230 1.00 0.00 O ATOM 0 H SER A 46 4.247 -7.731 -1.971 1.00 0.00 H new ATOM 0 HA SER A 46 6.123 -5.981 -0.756 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.774 -8.601 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.879 -8.614 -1.993 1.00 0.00 H new ATOM 0 HG SER A 46 7.988 -8.778 0.041 1.00 0.00 H new ATOM 737 N ARG A 47 8.029 -5.716 -2.497 1.00 0.00 N ATOM 738 CA ARG A 47 8.898 -5.196 -3.538 1.00 0.00 C ATOM 739 C ARG A 47 9.180 -6.278 -4.583 1.00 0.00 C ATOM 740 O ARG A 47 9.521 -5.970 -5.724 1.00 0.00 O ATOM 741 CB ARG A 47 10.223 -4.703 -2.955 1.00 0.00 C ATOM 742 CG ARG A 47 10.986 -5.846 -2.283 1.00 0.00 C ATOM 743 CD ARG A 47 10.670 -5.913 -0.788 1.00 0.00 C ATOM 744 NE ARG A 47 11.925 -5.912 -0.004 1.00 0.00 N ATOM 745 CZ ARG A 47 12.742 -4.855 0.104 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.441 -3.709 -0.521 1.00 0.00 N ATOM 747 NH2 ARG A 47 13.861 -4.946 0.837 1.00 0.00 N ATOM 0 H ARG A 47 8.430 -5.699 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 47 8.386 -4.356 -4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.834 -4.270 -3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.033 -3.912 -2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.722 -6.792 -2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.057 -5.706 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.051 -5.063 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.096 -6.813 -0.569 1.00 0.00 H new ATOM 0 HE ARG A 47 12.184 -6.769 0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.590 -3.641 -1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.063 -2.905 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.090 -5.819 1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.483 -4.142 0.920 1.00 0.00 H new ATOM 761 N SER A 48 9.027 -7.523 -4.156 1.00 0.00 N ATOM 762 CA SER A 48 9.261 -8.651 -5.040 1.00 0.00 C ATOM 763 C SER A 48 8.191 -8.691 -6.133 1.00 0.00 C ATOM 764 O SER A 48 8.388 -9.309 -7.178 1.00 0.00 O ATOM 765 CB SER A 48 9.272 -9.968 -4.262 1.00 0.00 C ATOM 766 OG SER A 48 10.285 -10.856 -4.728 1.00 0.00 O ATOM 0 H SER A 48 8.744 -7.775 -3.209 1.00 0.00 H new ATOM 0 HA SER A 48 10.240 -8.524 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.430 -9.762 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.298 -10.450 -4.352 1.00 0.00 H new ATOM 0 HG SER A 48 10.260 -11.684 -4.205 1.00 0.00 H new ATOM 772 N GLY A 49 7.081 -8.022 -5.855 1.00 0.00 N ATOM 773 CA GLY A 49 5.980 -7.973 -6.802 1.00 0.00 C ATOM 774 C GLY A 49 4.800 -8.815 -6.314 1.00 0.00 C ATOM 775 O GLY A 49 3.703 -8.731 -6.864 1.00 0.00 O ATOM 0 H GLY A 49 6.921 -7.510 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.661 -6.940 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.314 -8.337 -7.773 1.00 0.00 H new ATOM 779 N GLN A 50 5.065 -9.609 -5.287 1.00 0.00 N ATOM 780 CA GLN A 50 4.038 -10.466 -4.719 1.00 0.00 C ATOM 781 C GLN A 50 2.921 -9.621 -4.105 1.00 0.00 C ATOM 782 O GLN A 50 3.154 -8.490 -3.680 1.00 0.00 O ATOM 783 CB GLN A 50 4.634 -11.423 -3.684 1.00 0.00 C ATOM 784 CG GLN A 50 4.817 -12.823 -4.273 1.00 0.00 C ATOM 785 CD GLN A 50 3.468 -13.517 -4.468 1.00 0.00 C ATOM 786 OE1 GLN A 50 2.802 -13.914 -3.526 1.00 0.00 O ATOM 787 NE2 GLN A 50 3.102 -13.640 -5.741 1.00 0.00 N ATOM 0 H GLN A 50 5.976 -9.677 -4.833 1.00 0.00 H new ATOM 0 HA GLN A 50 3.611 -11.069 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.595 -11.040 -3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.982 -11.474 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.336 -12.754 -5.229 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.445 -13.420 -3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.707 -13.286 -6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.217 -14.089 -5.976 1.00 0.00 H new ATOM 796 N ALA A 51 1.730 -10.201 -4.078 1.00 0.00 N ATOM 797 CA ALA A 51 0.575 -9.515 -3.524 1.00 0.00 C ATOM 798 C ALA A 51 -0.246 -10.501 -2.690 1.00 0.00 C ATOM 799 O ALA A 51 -0.563 -11.596 -3.151 1.00 0.00 O ATOM 800 CB ALA A 51 -0.240 -8.889 -4.657 1.00 0.00 C ATOM 0 H ALA A 51 1.540 -11.139 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 51 0.889 -8.706 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.106 -8.375 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.380 -8.175 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.575 -9.671 -5.339 1.00 0.00 H new ATOM 806 N GLY A 52 -0.568 -10.076 -1.477 1.00 0.00 N ATOM 807 CA GLY A 52 -1.346 -10.907 -0.575 1.00 0.00 C ATOM 808 C GLY A 52 -2.196 -10.049 0.366 1.00 0.00 C ATOM 809 O GLY A 52 -2.093 -8.824 0.357 1.00 0.00 O ATOM 0 H GLY A 52 -0.304 -9.167 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.992 -11.570 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.678 -11.541 0.009 1.00 0.00 H new ATOM 813 N TYR A 53 -3.016 -10.728 1.155 1.00 0.00 N ATOM 814 CA TYR A 53 -3.882 -10.044 2.099 1.00 0.00 C ATOM 815 C TYR A 53 -3.368 -10.205 3.531 1.00 0.00 C ATOM 816 O TYR A 53 -2.850 -11.260 3.893 1.00 0.00 O ATOM 817 CB TYR A 53 -5.250 -10.719 1.982 1.00 0.00 C ATOM 818 CG TYR A 53 -6.055 -10.286 0.755 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.480 -8.978 0.635 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.357 -11.203 -0.231 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.238 -8.570 -0.520 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.114 -10.795 -1.386 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.518 -9.499 -1.473 1.00 0.00 C ATOM 824 OH TYR A 53 -8.233 -9.114 -2.564 1.00 0.00 O ATOM 0 H TYR A 53 -3.099 -11.745 1.159 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.922 -8.977 1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.109 -11.799 1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.829 -10.501 2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.244 -8.261 1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.026 -12.227 -0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.576 -7.550 -0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.356 -11.502 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.357 -9.881 -3.161 1.00 0.00 H new ATOM 834 N VAL A 54 -3.530 -9.143 4.307 1.00 0.00 N ATOM 835 CA VAL A 54 -3.088 -9.153 5.691 1.00 0.00 C ATOM 836 C VAL A 54 -4.061 -8.330 6.538 1.00 0.00 C ATOM 837 O VAL A 54 -4.871 -7.575 6.002 1.00 0.00 O ATOM 838 CB VAL A 54 -1.645 -8.654 5.784 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.659 -9.824 5.781 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.331 -7.670 4.655 1.00 0.00 C ATOM 0 H VAL A 54 -3.961 -8.270 4.003 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.092 -10.169 6.086 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.534 -8.125 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.360 -9.442 5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.860 -10.472 6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.773 -10.393 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.299 -7.331 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.468 -8.164 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.002 -6.813 4.722 1.00 0.00 H new ATOM 850 N PRO A 55 -3.946 -8.508 7.881 1.00 0.00 N ATOM 851 CA PRO A 55 -4.805 -7.790 8.808 1.00 0.00 C ATOM 852 C PRO A 55 -4.378 -6.326 8.930 1.00 0.00 C ATOM 853 O PRO A 55 -3.192 -6.012 8.841 1.00 0.00 O ATOM 854 CB PRO A 55 -4.695 -8.553 10.118 1.00 0.00 C ATOM 855 CG PRO A 55 -3.428 -9.387 10.009 1.00 0.00 C ATOM 856 CD PRO A 55 -2.998 -9.393 8.551 1.00 0.00 C ATOM 0 HA PRO A 55 -5.842 -7.747 8.474 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.641 -7.869 10.965 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.568 -9.187 10.275 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.641 -8.970 10.637 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.609 -10.404 10.358 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.975 -9.035 8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.032 -10.399 8.132 1.00 0.00 H new ATOM 864 N CYS A 56 -5.368 -5.469 9.132 1.00 0.00 N ATOM 865 CA CYS A 56 -5.110 -4.046 9.268 1.00 0.00 C ATOM 866 C CYS A 56 -4.722 -3.764 10.721 1.00 0.00 C ATOM 867 O CYS A 56 -4.464 -2.619 11.088 1.00 0.00 O ATOM 868 CB CYS A 56 -6.311 -3.208 8.826 1.00 0.00 C ATOM 869 SG CYS A 56 -7.748 -3.555 9.905 1.00 0.00 S ATOM 0 H CYS A 56 -6.351 -5.733 9.205 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.289 -3.759 8.611 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.061 -2.148 8.869 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.561 -3.434 7.790 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.762 -2.837 9.522 1.00 0.00 H new ATOM 875 N ASN A 57 -4.692 -4.829 11.509 1.00 0.00 N ATOM 876 CA ASN A 57 -4.340 -4.711 12.914 1.00 0.00 C ATOM 877 C ASN A 57 -2.833 -4.483 13.040 1.00 0.00 C ATOM 878 O ASN A 57 -2.370 -3.894 14.016 1.00 0.00 O ATOM 879 CB ASN A 57 -4.690 -5.989 13.679 1.00 0.00 C ATOM 880 CG ASN A 57 -6.200 -6.101 13.898 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.993 -5.381 13.314 1.00 0.00 O ATOM 882 ND2 ASN A 57 -6.552 -7.040 14.772 1.00 0.00 N ATOM 0 H ASN A 57 -4.906 -5.778 11.201 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.900 -3.875 13.333 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.334 -6.858 13.125 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.178 -5.993 14.641 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.537 -7.192 14.988 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.837 -7.608 15.226 1.00 0.00 H new ATOM 889 N ILE A 58 -2.108 -4.960 12.038 1.00 0.00 N ATOM 890 CA ILE A 58 -0.663 -4.815 12.024 1.00 0.00 C ATOM 891 C ILE A 58 -0.282 -3.627 11.138 1.00 0.00 C ATOM 892 O ILE A 58 0.777 -3.028 11.318 1.00 0.00 O ATOM 893 CB ILE A 58 0.004 -6.129 11.612 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.339 -6.486 10.164 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.359 -7.255 12.581 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.266 -7.837 9.775 1.00 0.00 C ATOM 0 H ILE A 58 -2.495 -5.447 11.230 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.293 -4.597 13.026 1.00 0.00 H new ATOM 0 HB ILE A 58 1.085 -5.996 11.664 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.421 -6.519 10.040 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.035 -5.710 9.496 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.128 -8.178 12.265 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.024 -6.993 13.585 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.440 -7.398 12.584 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.008 -8.067 8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.350 -7.793 9.877 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.128 -8.614 10.429 1.00 0.00 H new ATOM 908 N LEU A 59 -1.167 -3.322 10.200 1.00 0.00 N ATOM 909 CA LEU A 59 -0.936 -2.217 9.285 1.00 0.00 C ATOM 910 C LEU A 59 -1.001 -0.899 10.058 1.00 0.00 C ATOM 911 O LEU A 59 -1.654 -0.816 11.097 1.00 0.00 O ATOM 912 CB LEU A 59 -1.909 -2.287 8.106 1.00 0.00 C ATOM 913 CG LEU A 59 -1.853 -3.564 7.265 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.994 -3.600 6.246 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.485 -3.724 6.600 1.00 0.00 C ATOM 0 H LEU A 59 -2.045 -3.821 10.054 1.00 0.00 H new ATOM 0 HA LEU A 59 0.061 -2.283 8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.923 -2.173 8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.718 -1.436 7.452 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.988 -4.417 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.931 -4.518 5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.950 -3.568 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.915 -2.740 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.473 -4.640 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.294 -2.870 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.288 -3.777 7.366 1.00 0.00 H new ATOM 927 N GLY A 60 -0.315 0.100 9.522 1.00 0.00 N ATOM 928 CA GLY A 60 -0.286 1.410 10.148 1.00 0.00 C ATOM 929 C GLY A 60 0.041 2.500 9.126 1.00 0.00 C ATOM 930 O GLY A 60 0.721 2.242 8.134 1.00 0.00 O ATOM 0 H GLY A 60 0.225 0.028 8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.251 1.618 10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.457 1.419 10.945 1.00 0.00 H new