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 180:sc=0.000306 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0889 X(o=-0.089,f=-0.0015) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 4:sc= -1.3 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= 0.00566 USER MOD Single : A 57 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.072 5.356 -1.880 1.00 0.00 N ATOM 67 CA LYS A 8 0.103 5.277 -0.430 1.00 0.00 C ATOM 68 C LYS A 8 0.904 4.044 -0.007 1.00 0.00 C ATOM 69 O LYS A 8 1.063 3.106 -0.787 1.00 0.00 O ATOM 70 CB LYS A 8 -1.316 5.314 0.140 1.00 0.00 C ATOM 71 CG LYS A 8 -1.330 5.935 1.538 1.00 0.00 C ATOM 72 CD LYS A 8 -2.724 6.457 1.892 1.00 0.00 C ATOM 73 CE LYS A 8 -2.674 7.937 2.278 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.042 8.482 2.420 1.00 0.00 N ATOM 0 HA LYS A 8 0.611 6.146 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.963 5.888 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.721 4.303 0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.018 5.193 2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.609 6.751 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.393 6.322 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.135 5.876 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.130 8.056 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.129 8.499 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.990 9.487 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.550 8.385 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.550 7.957 3.160 1.00 0.00 H new ATOM 88 N TYR A 9 1.386 4.085 1.226 1.00 0.00 N ATOM 89 CA TYR A 9 2.166 2.982 1.761 1.00 0.00 C ATOM 90 C TYR A 9 1.759 2.672 3.204 1.00 0.00 C ATOM 91 O TYR A 9 1.142 3.501 3.870 1.00 0.00 O ATOM 92 CB TYR A 9 3.623 3.448 1.744 1.00 0.00 C ATOM 93 CG TYR A 9 4.208 3.610 0.340 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.603 2.498 -0.376 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.342 4.868 -0.211 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.154 2.650 -1.697 1.00 0.00 C ATOM 97 CE2 TYR A 9 4.893 5.020 -1.533 1.00 0.00 C ATOM 98 CZ TYR A 9 5.271 3.903 -2.211 1.00 0.00 C ATOM 99 OH TYR A 9 5.791 4.047 -3.459 1.00 0.00 O ATOM 0 H TYR A 9 1.252 4.864 1.870 1.00 0.00 H new ATOM 0 HA TYR A 9 2.009 2.079 1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.695 4.401 2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.229 2.732 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.499 1.513 0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.034 5.739 0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.467 1.788 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.004 5.999 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 9 5.814 4.998 -3.696 1.00 0.00 H new ATOM 109 N VAL A 10 2.122 1.476 3.643 1.00 0.00 N ATOM 110 CA VAL A 10 1.802 1.046 4.994 1.00 0.00 C ATOM 111 C VAL A 10 3.069 0.518 5.669 1.00 0.00 C ATOM 112 O VAL A 10 3.863 -0.184 5.045 1.00 0.00 O ATOM 113 CB VAL A 10 0.669 0.019 4.962 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.159 -1.321 4.409 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.046 -0.154 6.349 1.00 0.00 C ATOM 0 H VAL A 10 2.635 0.791 3.087 1.00 0.00 H new ATOM 0 HA VAL A 10 1.443 1.887 5.588 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.105 0.394 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.334 -2.033 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.533 -1.181 3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.960 -1.704 5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.757 -0.890 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.808 -0.496 7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.357 0.800 6.688 1.00 0.00 H new ATOM 125 N LYS A 11 3.219 0.875 6.936 1.00 0.00 N ATOM 126 CA LYS A 11 4.376 0.445 7.703 1.00 0.00 C ATOM 127 C LYS A 11 3.966 -0.691 8.643 1.00 0.00 C ATOM 128 O LYS A 11 3.192 -0.482 9.575 1.00 0.00 O ATOM 129 CB LYS A 11 5.016 1.635 8.420 1.00 0.00 C ATOM 130 CG LYS A 11 6.497 1.376 8.700 1.00 0.00 C ATOM 131 CD LYS A 11 6.937 2.053 9.999 1.00 0.00 C ATOM 132 CE LYS A 11 7.121 1.025 11.118 1.00 0.00 C ATOM 133 NZ LYS A 11 8.028 1.552 12.162 1.00 0.00 N ATOM 0 H LYS A 11 2.558 1.457 7.451 1.00 0.00 H new ATOM 0 HA LYS A 11 5.146 0.049 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.909 2.532 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.493 1.823 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.676 0.303 8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.098 1.748 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.872 2.589 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.194 2.792 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.154 0.780 11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.528 0.101 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.142 0.842 12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.956 1.763 11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.625 2.422 12.566 1.00 0.00 H new ATOM 147 N ILE A 12 4.504 -1.869 8.364 1.00 0.00 N ATOM 148 CA ILE A 12 4.204 -3.039 9.173 1.00 0.00 C ATOM 149 C ILE A 12 4.601 -2.765 10.625 1.00 0.00 C ATOM 150 O ILE A 12 5.762 -2.478 10.912 1.00 0.00 O ATOM 151 CB ILE A 12 4.866 -4.284 8.579 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.424 -4.503 7.131 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.601 -5.514 9.451 1.00 0.00 C ATOM 154 CD1 ILE A 12 2.920 -4.774 7.051 1.00 0.00 C ATOM 0 H ILE A 12 5.146 -2.039 7.590 1.00 0.00 H new ATOM 0 HA ILE A 12 3.133 -3.242 9.168 1.00 0.00 H new ATOM 0 HB ILE A 12 5.944 -4.124 8.565 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.671 -3.624 6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.972 -5.343 6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.082 -6.385 9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.005 -5.346 10.449 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.527 -5.688 9.518 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.633 -4.926 6.011 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.680 -5.667 7.628 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.375 -3.922 7.457 1.00 0.00 H new ATOM 166 N LEU A 13 3.613 -2.863 11.503 1.00 0.00 N ATOM 167 CA LEU A 13 3.844 -2.629 12.918 1.00 0.00 C ATOM 168 C LEU A 13 4.350 -3.919 13.568 1.00 0.00 C ATOM 169 O LEU A 13 5.001 -3.879 14.610 1.00 0.00 O ATOM 170 CB LEU A 13 2.587 -2.060 13.579 1.00 0.00 C ATOM 171 CG LEU A 13 2.091 -0.720 13.033 1.00 0.00 C ATOM 172 CD1 LEU A 13 0.759 -0.326 13.674 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.152 0.369 13.202 1.00 0.00 C ATOM 0 H LEU A 13 2.651 -3.101 11.261 1.00 0.00 H new ATOM 0 HA LEU A 13 4.619 -1.875 13.058 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.785 -2.791 13.477 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.781 -1.946 14.645 1.00 0.00 H new ATOM 0 HG LEU A 13 1.913 -0.833 11.963 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.429 0.630 13.268 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.011 -1.089 13.458 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.886 -0.238 14.753 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.773 1.311 12.805 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.386 0.488 14.260 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.055 0.085 12.661 1.00 0.00 H new ATOM 185 N TYR A 14 4.031 -5.033 12.924 1.00 0.00 N ATOM 186 CA TYR A 14 4.444 -6.332 13.426 1.00 0.00 C ATOM 187 C TYR A 14 4.649 -7.323 12.279 1.00 0.00 C ATOM 188 O TYR A 14 3.892 -7.321 11.310 1.00 0.00 O ATOM 189 CB TYR A 14 3.300 -6.825 14.313 1.00 0.00 C ATOM 190 CG TYR A 14 3.002 -5.917 15.508 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.871 -5.879 16.579 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.864 -5.136 15.514 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.590 -5.024 17.704 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.584 -4.281 16.638 1.00 0.00 C ATOM 195 CZ TYR A 14 2.460 -4.267 17.678 1.00 0.00 C ATOM 196 OH TYR A 14 2.196 -3.460 18.740 1.00 0.00 O ATOM 0 H TYR A 14 3.491 -5.062 12.059 1.00 0.00 H new ATOM 0 HA TYR A 14 5.387 -6.252 13.967 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.399 -6.918 13.707 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.542 -7.823 14.679 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.762 -6.490 16.574 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.184 -5.166 14.676 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.261 -4.985 18.549 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.698 -3.664 16.655 1.00 0.00 H new ATOM 0 HH TYR A 14 1.357 -2.977 18.584 1.00 0.00 H new ATOM 206 N ASP A 15 5.676 -8.147 12.427 1.00 0.00 N ATOM 207 CA ASP A 15 5.990 -9.141 11.416 1.00 0.00 C ATOM 208 C ASP A 15 4.819 -10.117 11.286 1.00 0.00 C ATOM 209 O ASP A 15 4.231 -10.525 12.287 1.00 0.00 O ATOM 210 CB ASP A 15 7.234 -9.945 11.800 1.00 0.00 C ATOM 211 CG ASP A 15 7.152 -10.658 13.151 1.00 0.00 C ATOM 212 OD1 ASP A 15 6.361 -11.623 13.236 1.00 0.00 O ATOM 213 OD2 ASP A 15 7.881 -10.223 14.068 1.00 0.00 O ATOM 0 H ASP A 15 6.301 -8.146 13.233 1.00 0.00 H new ATOM 0 HA ASP A 15 6.174 -8.619 10.477 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.421 -10.688 11.025 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.093 -9.274 11.812 1.00 0.00 H new ATOM 218 N PHE A 16 4.514 -10.464 10.044 1.00 0.00 N ATOM 219 CA PHE A 16 3.424 -11.385 9.770 1.00 0.00 C ATOM 220 C PHE A 16 3.857 -12.470 8.783 1.00 0.00 C ATOM 221 O PHE A 16 4.629 -12.205 7.863 1.00 0.00 O ATOM 222 CB PHE A 16 2.293 -10.566 9.146 1.00 0.00 C ATOM 223 CG PHE A 16 1.050 -11.387 8.794 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.187 -11.768 9.773 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.809 -11.735 7.501 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.966 -12.530 9.446 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.343 -12.497 7.175 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.207 -12.878 8.154 1.00 0.00 C ATOM 0 H PHE A 16 5.003 -10.124 9.216 1.00 0.00 H new ATOM 0 HA PHE A 16 3.111 -11.875 10.692 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.008 -9.773 9.838 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.664 -10.083 8.242 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.378 -11.491 10.799 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.494 -11.432 6.723 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.651 -12.833 10.224 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.534 -12.775 6.149 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.084 -13.457 7.905 1.00 0.00 H new ATOM 238 N THR A 17 3.341 -13.670 9.007 1.00 0.00 N ATOM 239 CA THR A 17 3.665 -14.796 8.149 1.00 0.00 C ATOM 240 C THR A 17 2.425 -15.254 7.379 1.00 0.00 C ATOM 241 O THR A 17 1.487 -15.790 7.968 1.00 0.00 O ATOM 242 CB THR A 17 4.279 -15.894 9.020 1.00 0.00 C ATOM 243 OG1 THR A 17 5.557 -15.376 9.381 1.00 0.00 O ATOM 244 CG2 THR A 17 4.602 -17.161 8.225 1.00 0.00 C ATOM 0 H THR A 17 2.701 -13.886 9.771 1.00 0.00 H new ATOM 0 HA THR A 17 4.396 -14.517 7.390 1.00 0.00 H new ATOM 0 HB THR A 17 3.593 -16.140 9.831 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.024 -16.024 9.949 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.035 -17.908 8.891 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.687 -17.556 7.783 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.314 -16.923 7.435 1.00 0.00 H new ATOM 252 N ALA A 18 2.459 -15.026 6.074 1.00 0.00 N ATOM 253 CA ALA A 18 1.350 -15.409 5.218 1.00 0.00 C ATOM 254 C ALA A 18 1.078 -16.906 5.381 1.00 0.00 C ATOM 255 O ALA A 18 1.907 -17.735 5.007 1.00 0.00 O ATOM 256 CB ALA A 18 1.666 -15.027 3.771 1.00 0.00 C ATOM 0 H ALA A 18 3.238 -14.581 5.589 1.00 0.00 H new ATOM 0 HA ALA A 18 0.443 -14.877 5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.834 -15.315 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.821 -13.950 3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.569 -15.544 3.447 1.00 0.00 H new ATOM 324 N GLU A 23 -2.329 -14.486 1.040 1.00 0.00 N ATOM 325 CA GLU A 23 -1.754 -13.624 2.058 1.00 0.00 C ATOM 326 C GLU A 23 -0.321 -13.241 1.682 1.00 0.00 C ATOM 327 O GLU A 23 0.320 -13.926 0.887 1.00 0.00 O ATOM 328 CB GLU A 23 -1.800 -14.293 3.433 1.00 0.00 C ATOM 329 CG GLU A 23 -3.244 -14.500 3.894 1.00 0.00 C ATOM 330 CD GLU A 23 -3.315 -14.681 5.412 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.368 -15.289 5.955 1.00 0.00 O ATOM 332 OE2 GLU A 23 -4.314 -14.207 5.994 1.00 0.00 O ATOM 0 HA GLU A 23 -2.350 -12.713 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.287 -15.254 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.267 -13.678 4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.850 -13.644 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.665 -15.375 3.400 1.00 0.00 H new ATOM 339 N LEU A 24 0.140 -12.148 2.273 1.00 0.00 N ATOM 340 CA LEU A 24 1.485 -11.666 2.010 1.00 0.00 C ATOM 341 C LEU A 24 2.309 -11.739 3.298 1.00 0.00 C ATOM 342 O LEU A 24 1.803 -11.445 4.379 1.00 0.00 O ATOM 343 CB LEU A 24 1.442 -10.270 1.385 1.00 0.00 C ATOM 344 CG LEU A 24 2.659 -9.872 0.548 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.531 -10.391 -0.886 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.884 -8.360 0.592 1.00 0.00 C ATOM 0 H LEU A 24 -0.394 -11.583 2.933 1.00 0.00 H new ATOM 0 HA LEU A 24 1.981 -12.302 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.555 -10.203 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.321 -9.539 2.185 1.00 0.00 H new ATOM 0 HG LEU A 24 3.541 -10.341 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.409 -10.095 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.455 -11.478 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.637 -9.970 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.755 -8.104 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.006 -7.850 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.052 -8.047 1.623 1.00 0.00 H new ATOM 358 N SER A 25 3.564 -12.131 3.138 1.00 0.00 N ATOM 359 CA SER A 25 4.462 -12.245 4.274 1.00 0.00 C ATOM 360 C SER A 25 5.347 -11.000 4.370 1.00 0.00 C ATOM 361 O SER A 25 6.041 -10.653 3.416 1.00 0.00 O ATOM 362 CB SER A 25 5.327 -13.503 4.168 1.00 0.00 C ATOM 363 OG SER A 25 4.933 -14.331 3.077 1.00 0.00 O ATOM 0 H SER A 25 3.980 -12.374 2.239 1.00 0.00 H new ATOM 0 HA SER A 25 3.859 -12.325 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.371 -13.216 4.046 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.258 -14.070 5.097 1.00 0.00 H new ATOM 0 HG SER A 25 5.510 -15.122 3.042 1.00 0.00 H new ATOM 369 N VAL A 26 5.292 -10.362 5.530 1.00 0.00 N ATOM 370 CA VAL A 26 6.079 -9.164 5.762 1.00 0.00 C ATOM 371 C VAL A 26 6.689 -9.223 7.164 1.00 0.00 C ATOM 372 O VAL A 26 6.360 -10.110 7.951 1.00 0.00 O ATOM 373 CB VAL A 26 5.217 -7.920 5.537 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.883 -7.746 4.054 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.944 -7.974 6.384 1.00 0.00 C ATOM 0 H VAL A 26 4.714 -10.653 6.319 1.00 0.00 H new ATOM 0 HA VAL A 26 6.903 -9.105 5.051 1.00 0.00 H new ATOM 0 HB VAL A 26 5.793 -7.051 5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.270 -6.855 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.806 -7.640 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.336 -8.619 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.350 -7.078 6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.363 -8.855 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.211 -8.027 7.439 1.00 0.00 H new ATOM 385 N LEU A 27 7.566 -8.267 7.434 1.00 0.00 N ATOM 386 CA LEU A 27 8.224 -8.199 8.728 1.00 0.00 C ATOM 387 C LEU A 27 7.909 -6.854 9.386 1.00 0.00 C ATOM 388 O LEU A 27 7.209 -6.025 8.807 1.00 0.00 O ATOM 389 CB LEU A 27 9.721 -8.477 8.582 1.00 0.00 C ATOM 390 CG LEU A 27 10.140 -9.947 8.648 1.00 0.00 C ATOM 391 CD1 LEU A 27 11.448 -10.179 7.887 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.227 -10.429 10.097 1.00 0.00 C ATOM 0 H LEU A 27 7.836 -7.533 6.779 1.00 0.00 H new ATOM 0 HA LEU A 27 7.842 -8.975 9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.055 -8.067 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.249 -7.934 9.365 1.00 0.00 H new ATOM 0 HG LEU A 27 9.371 -10.543 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.724 -11.232 7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.315 -9.900 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.238 -9.570 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.527 -11.477 10.115 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.963 -9.832 10.635 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.253 -10.322 10.575 1.00 0.00 H new ATOM 404 N LYS A 28 8.443 -6.680 10.586 1.00 0.00 N ATOM 405 CA LYS A 28 8.227 -5.449 11.329 1.00 0.00 C ATOM 406 C LYS A 28 9.215 -4.386 10.843 1.00 0.00 C ATOM 407 O LYS A 28 10.357 -4.700 10.512 1.00 0.00 O ATOM 408 CB LYS A 28 8.299 -5.713 12.834 1.00 0.00 C ATOM 409 CG LYS A 28 7.980 -4.445 13.628 1.00 0.00 C ATOM 410 CD LYS A 28 8.412 -4.589 15.089 1.00 0.00 C ATOM 411 CE LYS A 28 8.951 -3.266 15.636 1.00 0.00 C ATOM 412 NZ LYS A 28 8.196 -2.857 16.842 1.00 0.00 N ATOM 0 H LYS A 28 9.024 -7.370 11.062 1.00 0.00 H new ATOM 0 HA LYS A 28 7.225 -5.062 11.144 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.596 -6.501 13.103 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.295 -6.070 13.097 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.488 -3.592 13.177 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.910 -4.241 13.580 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.565 -4.917 15.691 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.179 -5.359 15.171 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.008 -3.370 15.880 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.875 -2.492 14.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.575 -1.957 17.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.192 -2.738 16.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.290 -3.589 17.575 1.00 0.00 H new ATOM 426 N ASP A 29 8.738 -3.150 10.816 1.00 0.00 N ATOM 427 CA ASP A 29 9.564 -2.039 10.376 1.00 0.00 C ATOM 428 C ASP A 29 9.620 -2.025 8.847 1.00 0.00 C ATOM 429 O ASP A 29 10.323 -1.206 8.255 1.00 0.00 O ATOM 430 CB ASP A 29 10.995 -2.175 10.900 1.00 0.00 C ATOM 431 CG ASP A 29 11.115 -2.760 12.309 1.00 0.00 C ATOM 432 OD1 ASP A 29 10.707 -2.051 13.254 1.00 0.00 O ATOM 433 OD2 ASP A 29 11.611 -3.903 12.408 1.00 0.00 O ATOM 0 H ASP A 29 7.790 -2.894 11.092 1.00 0.00 H new ATOM 0 HA ASP A 29 9.125 -1.119 10.762 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.559 -2.805 10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.465 -1.191 10.890 1.00 0.00 H new ATOM 438 N GLU A 30 8.870 -2.940 8.250 1.00 0.00 N ATOM 439 CA GLU A 30 8.826 -3.042 6.802 1.00 0.00 C ATOM 440 C GLU A 30 7.650 -2.234 6.248 1.00 0.00 C ATOM 441 O GLU A 30 6.651 -2.035 6.937 1.00 0.00 O ATOM 442 CB GLU A 30 8.744 -4.504 6.358 1.00 0.00 C ATOM 443 CG GLU A 30 10.112 -5.019 5.908 1.00 0.00 C ATOM 444 CD GLU A 30 9.965 -6.189 4.933 1.00 0.00 C ATOM 445 OE1 GLU A 30 9.777 -5.906 3.730 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.043 -7.340 5.413 1.00 0.00 O ATOM 0 H GLU A 30 8.288 -3.617 8.743 1.00 0.00 H new ATOM 0 HA GLU A 30 9.749 -2.625 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.373 -5.117 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.029 -4.600 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.669 -4.212 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.689 -5.336 6.777 1.00 0.00 H new ATOM 453 N VAL A 31 7.809 -1.791 5.010 1.00 0.00 N ATOM 454 CA VAL A 31 6.774 -1.009 4.356 1.00 0.00 C ATOM 455 C VAL A 31 6.416 -1.662 3.019 1.00 0.00 C ATOM 456 O VAL A 31 7.295 -1.947 2.208 1.00 0.00 O ATOM 457 CB VAL A 31 7.229 0.444 4.209 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.262 1.235 3.326 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.391 1.109 5.577 1.00 0.00 C ATOM 0 H VAL A 31 8.640 -1.959 4.442 1.00 0.00 H new ATOM 0 HA VAL A 31 5.868 -0.991 4.962 1.00 0.00 H new ATOM 0 HB VAL A 31 8.203 0.442 3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.609 2.265 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.219 0.781 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.268 1.224 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.715 2.141 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.437 1.093 6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.136 0.567 6.159 1.00 0.00 H new ATOM 469 N LEU A 32 5.122 -1.879 2.831 1.00 0.00 N ATOM 470 CA LEU A 32 4.637 -2.493 1.606 1.00 0.00 C ATOM 471 C LEU A 32 3.828 -1.466 0.812 1.00 0.00 C ATOM 472 O LEU A 32 3.613 -0.347 1.276 1.00 0.00 O ATOM 473 CB LEU A 32 3.864 -3.776 1.920 1.00 0.00 C ATOM 474 CG LEU A 32 4.683 -4.925 2.509 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.849 -5.296 1.590 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.154 -4.593 3.927 1.00 0.00 C ATOM 0 H LEU A 32 4.395 -1.641 3.506 1.00 0.00 H new ATOM 0 HA LEU A 32 5.472 -2.798 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.063 -3.532 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.392 -4.126 1.002 1.00 0.00 H new ATOM 0 HG LEU A 32 4.038 -5.801 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.415 -6.116 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.463 -5.605 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.501 -4.432 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.734 -5.427 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.775 -3.698 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.289 -4.418 4.566 1.00 0.00 H new ATOM 488 N GLU A 33 3.401 -1.883 -0.371 1.00 0.00 N ATOM 489 CA GLU A 33 2.620 -1.013 -1.233 1.00 0.00 C ATOM 490 C GLU A 33 1.141 -1.403 -1.182 1.00 0.00 C ATOM 491 O GLU A 33 0.758 -2.462 -1.677 1.00 0.00 O ATOM 492 CB GLU A 33 3.147 -1.048 -2.669 1.00 0.00 C ATOM 493 CG GLU A 33 3.290 0.366 -3.236 1.00 0.00 C ATOM 494 CD GLU A 33 4.303 0.398 -4.382 1.00 0.00 C ATOM 495 OE1 GLU A 33 5.417 -0.129 -4.169 1.00 0.00 O ATOM 496 OE2 GLU A 33 3.941 0.948 -5.444 1.00 0.00 O ATOM 0 H GLU A 33 3.581 -2.812 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 33 2.718 0.010 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.113 -1.553 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.469 -1.628 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.322 0.718 -3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.607 1.048 -2.447 1.00 0.00 H new ATOM 503 N VAL A 34 0.351 -0.526 -0.581 1.00 0.00 N ATOM 504 CA VAL A 34 -1.077 -0.766 -0.459 1.00 0.00 C ATOM 505 C VAL A 34 -1.750 -0.508 -1.808 1.00 0.00 C ATOM 506 O VAL A 34 -1.516 0.524 -2.436 1.00 0.00 O ATOM 507 CB VAL A 34 -1.656 0.089 0.671 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.340 1.570 0.455 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.163 -0.136 0.810 1.00 0.00 C ATOM 0 H VAL A 34 0.672 0.352 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.269 -1.806 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.183 -0.221 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.763 2.155 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.260 1.711 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.772 1.900 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.550 0.483 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.659 0.134 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.355 -1.186 1.032 1.00 0.00 H new ATOM 519 N LEU A 35 -2.572 -1.464 -2.215 1.00 0.00 N ATOM 520 CA LEU A 35 -3.280 -1.354 -3.479 1.00 0.00 C ATOM 521 C LEU A 35 -4.781 -1.233 -3.209 1.00 0.00 C ATOM 522 O LEU A 35 -5.464 -0.420 -3.829 1.00 0.00 O ATOM 523 CB LEU A 35 -2.914 -2.518 -4.402 1.00 0.00 C ATOM 524 CG LEU A 35 -1.519 -3.115 -4.207 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.388 -4.453 -4.937 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.433 -2.123 -4.629 1.00 0.00 C ATOM 0 H LEU A 35 -2.764 -2.318 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.976 -0.450 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.649 -3.311 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.001 -2.179 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.378 -3.313 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.387 -4.856 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.126 -5.154 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.558 -4.304 -6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.549 -2.573 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.560 -1.870 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.513 -1.218 -4.026 1.00 0.00 H new ATOM 538 N GLU A 36 -5.251 -2.055 -2.282 1.00 0.00 N ATOM 539 CA GLU A 36 -6.659 -2.051 -1.922 1.00 0.00 C ATOM 540 C GLU A 36 -6.822 -1.811 -0.419 1.00 0.00 C ATOM 541 O GLU A 36 -6.200 -2.494 0.393 1.00 0.00 O ATOM 542 CB GLU A 36 -7.337 -3.355 -2.345 1.00 0.00 C ATOM 543 CG GLU A 36 -8.083 -3.181 -3.670 1.00 0.00 C ATOM 544 CD GLU A 36 -9.264 -4.148 -3.766 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.362 -3.749 -3.322 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.042 -5.265 -4.282 1.00 0.00 O ATOM 0 H GLU A 36 -4.682 -2.728 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.148 -1.236 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.589 -4.142 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.034 -3.674 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.441 -2.155 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.399 -3.353 -4.501 1.00 0.00 H new ATOM 553 N ASP A 37 -7.661 -0.837 -0.095 1.00 0.00 N ATOM 554 CA ASP A 37 -7.913 -0.499 1.295 1.00 0.00 C ATOM 555 C ASP A 37 -9.410 -0.256 1.493 1.00 0.00 C ATOM 556 O ASP A 37 -10.169 -0.217 0.525 1.00 0.00 O ATOM 557 CB ASP A 37 -7.170 0.778 1.694 1.00 0.00 C ATOM 558 CG ASP A 37 -7.868 2.082 1.301 1.00 0.00 C ATOM 559 OD1 ASP A 37 -7.982 2.319 0.079 1.00 0.00 O ATOM 560 OD2 ASP A 37 -8.273 2.812 2.231 1.00 0.00 O ATOM 0 H ASP A 37 -8.174 -0.272 -0.771 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.565 -1.327 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.024 0.773 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.180 0.762 1.238 1.00 0.00 H new ATOM 565 N GLY A 38 -9.791 -0.100 2.752 1.00 0.00 N ATOM 566 CA GLY A 38 -11.184 0.137 3.089 1.00 0.00 C ATOM 567 C GLY A 38 -11.915 -1.179 3.360 1.00 0.00 C ATOM 568 O GLY A 38 -13.141 -1.206 3.450 1.00 0.00 O ATOM 0 H GLY A 38 -9.159 -0.133 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.245 0.778 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.674 0.668 2.273 1.00 0.00 H new ATOM 572 N ARG A 39 -11.130 -2.240 3.482 1.00 0.00 N ATOM 573 CA ARG A 39 -11.688 -3.557 3.741 1.00 0.00 C ATOM 574 C ARG A 39 -11.001 -4.196 4.950 1.00 0.00 C ATOM 575 O ARG A 39 -9.933 -3.751 5.368 1.00 0.00 O ATOM 576 CB ARG A 39 -11.523 -4.473 2.527 1.00 0.00 C ATOM 577 CG ARG A 39 -12.579 -5.580 2.527 1.00 0.00 C ATOM 578 CD ARG A 39 -12.616 -6.304 1.180 1.00 0.00 C ATOM 579 NE ARG A 39 -11.615 -7.393 1.163 1.00 0.00 N ATOM 580 CZ ARG A 39 -11.763 -8.560 1.805 1.00 0.00 C ATOM 581 NH1 ARG A 39 -12.873 -8.795 2.519 1.00 0.00 N ATOM 582 NH2 ARG A 39 -10.802 -9.491 1.734 1.00 0.00 N ATOM 0 H ARG A 39 -10.113 -2.215 3.406 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.751 -3.432 3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.605 -3.887 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.527 -4.916 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.362 -6.294 3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.559 -5.153 2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.612 -6.711 1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.413 -5.599 0.373 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.758 -7.246 0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.604 -8.086 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.986 -9.683 3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.957 -9.312 1.191 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.915 -10.379 2.223 1.00 0.00 H new ATOM 596 N GLN A 40 -11.642 -5.228 5.477 1.00 0.00 N ATOM 597 CA GLN A 40 -11.106 -5.933 6.630 1.00 0.00 C ATOM 598 C GLN A 40 -9.585 -6.057 6.516 1.00 0.00 C ATOM 599 O GLN A 40 -8.852 -5.536 7.354 1.00 0.00 O ATOM 600 CB GLN A 40 -11.759 -7.308 6.784 1.00 0.00 C ATOM 601 CG GLN A 40 -13.251 -7.174 7.098 1.00 0.00 C ATOM 602 CD GLN A 40 -13.709 -8.272 8.060 1.00 0.00 C ATOM 603 OE1 GLN A 40 -14.520 -9.122 7.732 1.00 0.00 O ATOM 604 NE2 GLN A 40 -13.145 -8.207 9.263 1.00 0.00 N ATOM 0 H GLN A 40 -12.528 -5.594 5.127 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.338 -5.356 7.525 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.627 -7.882 5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.264 -7.862 7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.448 -6.196 7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.827 -7.231 6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.473 -7.469 9.472 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.385 -8.895 9.976 1.00 0.00 H new ATOM 613 N TRP A 41 -9.157 -6.752 5.472 1.00 0.00 N ATOM 614 CA TRP A 41 -7.737 -6.952 5.238 1.00 0.00 C ATOM 615 C TRP A 41 -7.356 -6.190 3.967 1.00 0.00 C ATOM 616 O TRP A 41 -8.068 -6.250 2.965 1.00 0.00 O ATOM 617 CB TRP A 41 -7.398 -8.442 5.166 1.00 0.00 C ATOM 618 CG TRP A 41 -7.539 -9.177 6.501 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.502 -9.037 7.422 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.644 -10.178 7.030 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.295 -9.872 8.501 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.129 -10.587 8.255 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.464 -10.719 6.491 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.497 -11.556 9.045 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -4.844 -11.686 7.292 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.320 -12.109 8.528 1.00 0.00 C ATOM 0 H TRP A 41 -9.769 -7.183 4.779 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.150 -6.560 6.068 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.048 -8.917 4.431 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.375 -8.555 4.807 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.335 -8.356 7.331 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.888 -9.950 9.327 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.067 -10.413 5.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.896 -11.860 10.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.933 -12.134 6.924 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.783 -12.861 9.087 1.00 0.00 H new ATOM 637 N TRP A 42 -6.233 -5.491 4.048 1.00 0.00 N ATOM 638 CA TRP A 42 -5.749 -4.719 2.916 1.00 0.00 C ATOM 639 C TRP A 42 -4.942 -5.656 2.015 1.00 0.00 C ATOM 640 O TRP A 42 -4.535 -6.735 2.442 1.00 0.00 O ATOM 641 CB TRP A 42 -4.947 -3.503 3.385 1.00 0.00 C ATOM 642 CG TRP A 42 -5.743 -2.531 4.258 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.024 -2.626 4.641 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.256 -1.306 4.846 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.397 -1.555 5.429 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.287 -0.728 5.557 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.986 -0.707 4.778 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.155 0.479 6.255 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.870 0.498 5.481 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.898 1.094 6.202 1.00 0.00 C ATOM 0 H TRP A 42 -5.645 -5.443 4.880 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.582 -4.314 2.340 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.077 -3.848 3.944 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.573 -2.968 2.512 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.682 -3.438 4.368 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.317 -1.399 5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.165 -1.142 4.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.978 0.912 6.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.914 1.000 5.462 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.728 2.027 6.719 1.00 0.00 H new ATOM 661 N LYS A 43 -4.736 -5.209 0.785 1.00 0.00 N ATOM 662 CA LYS A 43 -3.985 -5.994 -0.180 1.00 0.00 C ATOM 663 C LYS A 43 -2.682 -5.267 -0.519 1.00 0.00 C ATOM 664 O LYS A 43 -2.678 -4.336 -1.322 1.00 0.00 O ATOM 665 CB LYS A 43 -4.850 -6.309 -1.403 1.00 0.00 C ATOM 666 CG LYS A 43 -4.218 -7.415 -2.251 1.00 0.00 C ATOM 667 CD LYS A 43 -4.680 -7.321 -3.706 1.00 0.00 C ATOM 668 CE LYS A 43 -4.288 -8.577 -4.488 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.254 -8.830 -5.580 1.00 0.00 N ATOM 0 H LYS A 43 -5.076 -4.313 0.434 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.710 -6.959 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.845 -6.617 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.975 -5.410 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.132 -7.338 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.486 -8.389 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.762 -7.190 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.237 -6.443 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.286 -8.458 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.256 -9.435 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.973 -9.686 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.204 -8.965 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.265 -8.018 -6.229 1.00 0.00 H new ATOM 683 N LEU A 44 -1.608 -5.721 0.110 1.00 0.00 N ATOM 684 CA LEU A 44 -0.302 -5.126 -0.114 1.00 0.00 C ATOM 685 C LEU A 44 0.458 -5.951 -1.155 1.00 0.00 C ATOM 686 O LEU A 44 0.057 -7.068 -1.480 1.00 0.00 O ATOM 687 CB LEU A 44 0.448 -4.964 1.209 1.00 0.00 C ATOM 688 CG LEU A 44 -0.318 -4.264 2.333 1.00 0.00 C ATOM 689 CD1 LEU A 44 -0.686 -2.833 1.937 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.546 -5.077 2.749 1.00 0.00 C ATOM 0 H LEU A 44 -1.616 -6.494 0.775 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.407 -4.119 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.744 -5.953 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.364 -4.406 1.018 1.00 0.00 H new ATOM 0 HG LEU A 44 0.336 -4.200 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.230 -2.358 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.223 -2.268 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.313 -2.852 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.072 -4.557 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.211 -5.195 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.230 -6.059 3.101 1.00 0.00 H new ATOM 702 N ARG A 45 1.541 -5.370 -1.648 1.00 0.00 N ATOM 703 CA ARG A 45 2.360 -6.038 -2.645 1.00 0.00 C ATOM 704 C ARG A 45 3.843 -5.898 -2.294 1.00 0.00 C ATOM 705 O ARG A 45 4.316 -4.799 -2.010 1.00 0.00 O ATOM 706 CB ARG A 45 2.116 -5.455 -4.039 1.00 0.00 C ATOM 707 CG ARG A 45 2.995 -6.146 -5.084 1.00 0.00 C ATOM 708 CD ARG A 45 3.358 -5.185 -6.217 1.00 0.00 C ATOM 709 NE ARG A 45 4.339 -4.185 -5.738 1.00 0.00 N ATOM 710 CZ ARG A 45 5.099 -3.432 -6.544 1.00 0.00 C ATOM 711 NH1 ARG A 45 4.997 -3.562 -7.874 1.00 0.00 N ATOM 712 NH2 ARG A 45 5.962 -2.551 -6.021 1.00 0.00 N ATOM 0 H ARG A 45 1.871 -4.444 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 45 2.082 -7.092 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.066 -5.572 -4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.326 -4.385 -4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.905 -6.517 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.471 -7.011 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.774 -5.741 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.461 -4.682 -6.580 1.00 0.00 H new ATOM 0 HE ARG A 45 4.443 -4.062 -4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.341 -4.234 -8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.575 -2.989 -8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.041 -2.453 -5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.541 -1.978 -6.635 1.00 0.00 H new ATOM 726 N SER A 46 4.535 -7.027 -2.326 1.00 0.00 N ATOM 727 CA SER A 46 5.954 -7.044 -2.015 1.00 0.00 C ATOM 728 C SER A 46 6.753 -6.464 -3.183 1.00 0.00 C ATOM 729 O SER A 46 6.208 -6.243 -4.263 1.00 0.00 O ATOM 730 CB SER A 46 6.431 -8.463 -1.698 1.00 0.00 C ATOM 731 OG SER A 46 6.128 -9.376 -2.749 1.00 0.00 O ATOM 0 H SER A 46 4.139 -7.937 -2.563 1.00 0.00 H new ATOM 0 HA SER A 46 6.118 -6.428 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.507 -8.453 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.963 -8.805 -0.775 1.00 0.00 H new ATOM 0 HG SER A 46 5.724 -8.890 -3.498 1.00 0.00 H new ATOM 737 N ARG A 47 8.033 -6.234 -2.927 1.00 0.00 N ATOM 738 CA ARG A 47 8.912 -5.684 -3.944 1.00 0.00 C ATOM 739 C ARG A 47 9.214 -6.738 -5.012 1.00 0.00 C ATOM 740 O ARG A 47 9.855 -6.441 -6.019 1.00 0.00 O ATOM 741 CB ARG A 47 10.227 -5.198 -3.331 1.00 0.00 C ATOM 742 CG ARG A 47 10.177 -3.696 -3.045 1.00 0.00 C ATOM 743 CD ARG A 47 10.607 -3.397 -1.608 1.00 0.00 C ATOM 744 NE ARG A 47 11.539 -2.247 -1.587 1.00 0.00 N ATOM 745 CZ ARG A 47 11.197 -0.997 -1.929 1.00 0.00 C ATOM 746 NH1 ARG A 47 9.944 -0.728 -2.319 1.00 0.00 N ATOM 747 NH2 ARG A 47 12.109 -0.016 -1.880 1.00 0.00 N ATOM 0 H ARG A 47 8.482 -6.419 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 47 8.401 -4.836 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.424 -5.741 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.051 -5.415 -4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.829 -3.168 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.166 -3.324 -3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.732 -3.178 -0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.088 -4.273 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 47 12.501 -2.416 -1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.250 -1.475 -2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.684 0.223 -2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.063 -0.221 -1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.849 0.935 -2.140 1.00 0.00 H new ATOM 761 N SER A 48 8.738 -7.947 -4.755 1.00 0.00 N ATOM 762 CA SER A 48 8.949 -9.047 -5.681 1.00 0.00 C ATOM 763 C SER A 48 7.790 -9.122 -6.677 1.00 0.00 C ATOM 764 O SER A 48 7.796 -9.957 -7.580 1.00 0.00 O ATOM 765 CB SER A 48 9.095 -10.375 -4.935 1.00 0.00 C ATOM 766 OG SER A 48 10.421 -10.575 -4.455 1.00 0.00 O ATOM 0 H SER A 48 8.207 -8.189 -3.919 1.00 0.00 H new ATOM 0 HA SER A 48 9.876 -8.863 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.399 -10.398 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.822 -11.195 -5.599 1.00 0.00 H new ATOM 0 HG SER A 48 10.472 -11.433 -3.983 1.00 0.00 H new ATOM 772 N GLY A 49 6.823 -8.238 -6.479 1.00 0.00 N ATOM 773 CA GLY A 49 5.660 -8.193 -7.348 1.00 0.00 C ATOM 774 C GLY A 49 4.503 -9.002 -6.758 1.00 0.00 C ATOM 775 O GLY A 49 3.389 -8.968 -7.278 1.00 0.00 O ATOM 0 H GLY A 49 6.821 -7.547 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.349 -7.158 -7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.920 -8.587 -8.330 1.00 0.00 H new ATOM 779 N GLN A 50 4.808 -9.711 -5.681 1.00 0.00 N ATOM 780 CA GLN A 50 3.807 -10.527 -5.015 1.00 0.00 C ATOM 781 C GLN A 50 2.766 -9.639 -4.332 1.00 0.00 C ATOM 782 O GLN A 50 3.056 -8.497 -3.976 1.00 0.00 O ATOM 783 CB GLN A 50 4.458 -11.481 -4.011 1.00 0.00 C ATOM 784 CG GLN A 50 4.424 -12.922 -4.523 1.00 0.00 C ATOM 785 CD GLN A 50 5.785 -13.600 -4.343 1.00 0.00 C ATOM 786 OE1 GLN A 50 6.059 -14.244 -3.344 1.00 0.00 O ATOM 787 NE2 GLN A 50 6.618 -13.418 -5.364 1.00 0.00 N ATOM 0 H GLN A 50 5.734 -9.737 -5.253 1.00 0.00 H new ATOM 0 HA GLN A 50 3.301 -11.133 -5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.490 -11.179 -3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.938 -11.419 -3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.660 -13.484 -3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.146 -12.931 -5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.324 -12.867 -6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.551 -13.830 -5.341 1.00 0.00 H new ATOM 796 N ALA A 51 1.575 -10.195 -4.169 1.00 0.00 N ATOM 797 CA ALA A 51 0.489 -9.468 -3.535 1.00 0.00 C ATOM 798 C ALA A 51 -0.345 -10.435 -2.693 1.00 0.00 C ATOM 799 O ALA A 51 -0.751 -11.492 -3.175 1.00 0.00 O ATOM 800 CB ALA A 51 -0.344 -8.759 -4.605 1.00 0.00 C ATOM 0 H ALA A 51 1.338 -11.142 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 51 0.880 -8.702 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.159 -8.213 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.288 -8.061 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.755 -9.497 -5.294 1.00 0.00 H new ATOM 806 N GLY A 52 -0.576 -10.040 -1.450 1.00 0.00 N ATOM 807 CA GLY A 52 -1.354 -10.860 -0.537 1.00 0.00 C ATOM 808 C GLY A 52 -2.099 -9.992 0.480 1.00 0.00 C ATOM 809 O GLY A 52 -1.749 -8.831 0.685 1.00 0.00 O ATOM 0 H GLY A 52 -0.238 -9.163 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.068 -11.461 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.696 -11.554 -0.015 1.00 0.00 H new ATOM 813 N TYR A 53 -3.113 -10.589 1.089 1.00 0.00 N ATOM 814 CA TYR A 53 -3.910 -9.885 2.079 1.00 0.00 C ATOM 815 C TYR A 53 -3.318 -10.052 3.480 1.00 0.00 C ATOM 816 O TYR A 53 -2.663 -11.053 3.765 1.00 0.00 O ATOM 817 CB TYR A 53 -5.296 -10.533 2.043 1.00 0.00 C ATOM 818 CG TYR A 53 -6.126 -10.159 0.814 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.600 -8.872 0.666 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.401 -11.110 -0.148 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.381 -8.520 -0.491 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.183 -10.758 -1.306 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.634 -9.481 -1.420 1.00 0.00 C ATOM 824 OH TYR A 53 -8.372 -9.148 -2.513 1.00 0.00 O ATOM 0 H TYR A 53 -3.401 -11.552 0.916 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.941 -8.818 1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.180 -11.616 2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.844 -10.245 2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.385 -8.128 1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.030 -12.118 -0.033 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.757 -7.516 -0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.406 -11.492 -2.066 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.472 -9.933 -3.092 1.00 0.00 H new ATOM 834 N VAL A 54 -3.571 -9.057 4.317 1.00 0.00 N ATOM 835 CA VAL A 54 -3.071 -9.081 5.681 1.00 0.00 C ATOM 836 C VAL A 54 -4.019 -8.286 6.581 1.00 0.00 C ATOM 837 O VAL A 54 -4.824 -7.493 6.095 1.00 0.00 O ATOM 838 CB VAL A 54 -1.632 -8.562 5.721 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.631 -9.719 5.693 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.371 -7.583 4.575 1.00 0.00 C ATOM 0 H VAL A 54 -4.116 -8.229 4.077 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.044 -10.103 6.060 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.495 -8.024 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.384 -9.323 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.794 -10.363 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.769 -10.297 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.341 -7.229 4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.535 -8.086 3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.051 -6.735 4.659 1.00 0.00 H new ATOM 850 N PRO A 55 -3.888 -8.532 7.913 1.00 0.00 N ATOM 851 CA PRO A 55 -4.724 -7.847 8.885 1.00 0.00 C ATOM 852 C PRO A 55 -4.271 -6.398 9.073 1.00 0.00 C ATOM 853 O PRO A 55 -3.077 -6.107 9.035 1.00 0.00 O ATOM 854 CB PRO A 55 -4.608 -8.675 10.155 1.00 0.00 C ATOM 855 CG PRO A 55 -3.357 -9.522 9.987 1.00 0.00 C ATOM 856 CD PRO A 55 -2.946 -9.464 8.525 1.00 0.00 C ATOM 0 HA PRO A 55 -5.764 -7.772 8.567 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.531 -8.034 11.033 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.489 -9.302 10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.555 -9.148 10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.550 -10.552 10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.918 -9.117 8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.002 -10.447 8.058 1.00 0.00 H new ATOM 864 N CYS A 56 -5.250 -5.527 9.272 1.00 0.00 N ATOM 865 CA CYS A 56 -4.967 -4.115 9.466 1.00 0.00 C ATOM 866 C CYS A 56 -4.577 -3.900 10.929 1.00 0.00 C ATOM 867 O CYS A 56 -4.312 -2.773 11.346 1.00 0.00 O ATOM 868 CB CYS A 56 -6.153 -3.240 9.056 1.00 0.00 C ATOM 869 SG CYS A 56 -7.559 -3.518 10.194 1.00 0.00 S ATOM 0 H CYS A 56 -6.240 -5.772 9.303 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.139 -3.815 8.823 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.863 -2.189 9.073 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.451 -3.472 8.033 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.560 -2.769 9.838 1.00 0.00 H new ATOM 875 N ASN A 57 -4.555 -4.998 11.670 1.00 0.00 N ATOM 876 CA ASN A 57 -4.202 -4.944 13.079 1.00 0.00 C ATOM 877 C ASN A 57 -2.703 -4.670 13.214 1.00 0.00 C ATOM 878 O ASN A 57 -2.246 -4.196 14.253 1.00 0.00 O ATOM 879 CB ASN A 57 -4.504 -6.273 13.774 1.00 0.00 C ATOM 880 CG ASN A 57 -4.221 -6.183 15.275 1.00 0.00 C ATOM 881 OD1 ASN A 57 -3.118 -5.896 15.709 1.00 0.00 O ATOM 882 ND2 ASN A 57 -5.277 -6.444 16.041 1.00 0.00 N ATOM 0 H ASN A 57 -4.776 -5.931 11.321 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.790 -4.152 13.544 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.548 -6.543 13.613 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.898 -7.064 13.333 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.191 -6.410 17.057 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.173 -6.678 15.612 1.00 0.00 H new ATOM 889 N ILE A 58 -1.978 -4.979 12.149 1.00 0.00 N ATOM 890 CA ILE A 58 -0.540 -4.772 12.135 1.00 0.00 C ATOM 891 C ILE A 58 -0.207 -3.594 11.217 1.00 0.00 C ATOM 892 O ILE A 58 0.898 -3.056 11.268 1.00 0.00 O ATOM 893 CB ILE A 58 0.184 -6.066 11.762 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.125 -6.471 10.319 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.144 -7.185 12.753 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.372 -7.888 10.028 1.00 0.00 C ATOM 0 H ILE A 58 -2.360 -5.372 11.289 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.183 -4.511 13.131 1.00 0.00 H new ATOM 0 HB ILE A 58 1.257 -5.886 11.824 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.200 -6.416 10.144 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.346 -5.768 9.632 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.384 -8.094 12.464 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.168 -6.887 13.754 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.218 -7.372 12.748 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.140 -8.150 8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.450 -7.934 10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.119 -8.591 10.701 1.00 0.00 H new ATOM 908 N LEU A 59 -1.184 -3.227 10.400 1.00 0.00 N ATOM 909 CA LEU A 59 -1.009 -2.123 9.473 1.00 0.00 C ATOM 910 C LEU A 59 -0.980 -0.807 10.253 1.00 0.00 C ATOM 911 O LEU A 59 -1.539 -0.716 11.345 1.00 0.00 O ATOM 912 CB LEU A 59 -2.078 -2.167 8.379 1.00 0.00 C ATOM 913 CG LEU A 59 -2.077 -3.412 7.490 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.214 -3.356 6.468 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.715 -3.607 6.822 1.00 0.00 C ATOM 0 H LEU A 59 -2.099 -3.675 10.361 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.053 -2.208 8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.057 -2.083 8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.955 -1.290 7.743 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.254 -4.283 8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.191 -4.253 5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.170 -3.300 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.093 -2.476 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.741 -4.499 6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.484 -2.738 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.052 -3.724 7.587 1.00 0.00 H new ATOM 927 N GLY A 60 -0.324 0.180 9.661 1.00 0.00 N ATOM 928 CA GLY A 60 -0.215 1.487 10.287 1.00 0.00 C ATOM 929 C GLY A 60 -0.126 2.594 9.234 1.00 0.00 C ATOM 930 O GLY A 60 0.607 2.465 8.254 1.00 0.00 O ATOM 0 H GLY A 60 0.137 0.101 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.079 1.660 10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.668 1.516 10.926 1.00 0.00 H new