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 43 LYS NZ :NH3+ -155:sc=-3.44e-05 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0.00131 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 50:sc= 0.016 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 45:sc= 0.0519 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 160:sc= -0.214 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 56 CYS SG : rot 180:sc= 0.0169 USER MOD Single : A 57 ASN : amide:sc=-0.00874 X(o=-0.0087,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.455 5.895 -1.732 1.00 0.00 N ATOM 67 CA LYS A 8 0.574 5.777 -0.289 1.00 0.00 C ATOM 68 C LYS A 8 1.144 4.401 0.061 1.00 0.00 C ATOM 69 O LYS A 8 1.063 3.470 -0.739 1.00 0.00 O ATOM 70 CB LYS A 8 -0.766 6.078 0.386 1.00 0.00 C ATOM 71 CG LYS A 8 -0.602 6.195 1.902 1.00 0.00 C ATOM 72 CD LYS A 8 -1.777 6.952 2.524 1.00 0.00 C ATOM 73 CE LYS A 8 -2.240 6.279 3.818 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.896 7.263 4.708 1.00 0.00 N ATOM 0 HA LYS A 8 1.273 6.519 0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.177 7.006 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.480 5.288 0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.532 5.200 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.330 6.711 2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.483 7.981 2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.604 6.993 1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.933 5.470 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.387 5.831 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.204 6.790 5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.224 8.021 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.722 7.671 4.225 1.00 0.00 H new ATOM 88 N TYR A 9 1.708 4.316 1.257 1.00 0.00 N ATOM 89 CA TYR A 9 2.291 3.069 1.722 1.00 0.00 C ATOM 90 C TYR A 9 1.909 2.795 3.178 1.00 0.00 C ATOM 91 O TYR A 9 1.319 3.647 3.840 1.00 0.00 O ATOM 92 CB TYR A 9 3.808 3.253 1.632 1.00 0.00 C ATOM 93 CG TYR A 9 4.335 3.378 0.201 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.539 2.246 -0.561 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.607 4.624 -0.328 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.036 2.364 -1.907 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.104 4.742 -1.674 1.00 0.00 C ATOM 98 CZ TYR A 9 5.294 3.606 -2.398 1.00 0.00 C ATOM 99 OH TYR A 9 5.763 3.717 -3.669 1.00 0.00 O ATOM 0 H TYR A 9 1.774 5.090 1.918 1.00 0.00 H new ATOM 0 HA TYR A 9 1.935 2.232 1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.089 4.145 2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.296 2.407 2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.326 1.271 -0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.447 5.510 0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.200 1.486 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.321 5.711 -2.099 1.00 0.00 H new ATOM 0 HH TYR A 9 5.198 3.192 -4.273 1.00 0.00 H new ATOM 109 N VAL A 10 2.260 1.601 3.633 1.00 0.00 N ATOM 110 CA VAL A 10 1.960 1.203 4.998 1.00 0.00 C ATOM 111 C VAL A 10 3.237 0.688 5.666 1.00 0.00 C ATOM 112 O VAL A 10 4.148 0.214 4.989 1.00 0.00 O ATOM 113 CB VAL A 10 0.825 0.177 5.007 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.287 -1.157 4.420 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.266 -0.009 6.419 1.00 0.00 C ATOM 0 H VAL A 10 2.749 0.897 3.081 1.00 0.00 H new ATOM 0 HA VAL A 10 1.611 2.058 5.577 1.00 0.00 H new ATOM 0 HB VAL A 10 0.022 0.560 4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.461 -1.868 4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.615 -1.008 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.115 -1.547 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.539 -0.743 6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.058 -0.359 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.120 0.942 6.786 1.00 0.00 H new ATOM 125 N LYS A 11 3.262 0.799 6.986 1.00 0.00 N ATOM 126 CA LYS A 11 4.411 0.350 7.753 1.00 0.00 C ATOM 127 C LYS A 11 4.007 -0.845 8.618 1.00 0.00 C ATOM 128 O LYS A 11 3.068 -0.756 9.408 1.00 0.00 O ATOM 129 CB LYS A 11 5.010 1.511 8.550 1.00 0.00 C ATOM 130 CG LYS A 11 6.007 1.003 9.593 1.00 0.00 C ATOM 131 CD LYS A 11 7.159 1.993 9.778 1.00 0.00 C ATOM 132 CE LYS A 11 8.104 1.534 10.890 1.00 0.00 C ATOM 133 NZ LYS A 11 8.499 2.680 11.740 1.00 0.00 N ATOM 0 H LYS A 11 2.505 1.194 7.544 1.00 0.00 H new ATOM 0 HA LYS A 11 5.203 0.008 7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.509 2.203 7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.213 2.067 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.497 0.851 10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.401 0.035 9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.712 2.092 8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.761 2.979 10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.616 0.773 11.499 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.991 1.074 10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.140 2.351 12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.983 3.393 11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.651 3.102 12.170 1.00 0.00 H new ATOM 147 N ILE A 12 4.735 -1.938 8.439 1.00 0.00 N ATOM 148 CA ILE A 12 4.464 -3.150 9.193 1.00 0.00 C ATOM 149 C ILE A 12 4.879 -2.942 10.651 1.00 0.00 C ATOM 150 O ILE A 12 6.047 -2.683 10.937 1.00 0.00 O ATOM 151 CB ILE A 12 5.133 -4.355 8.529 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.657 -4.519 7.084 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.915 -5.626 9.352 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.143 -4.726 7.026 1.00 0.00 C ATOM 0 H ILE A 12 5.512 -2.009 7.783 1.00 0.00 H new ATOM 0 HA ILE A 12 3.396 -3.368 9.193 1.00 0.00 H new ATOM 0 HB ILE A 12 6.207 -4.174 8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.929 -3.636 6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.162 -5.369 6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.401 -6.467 8.858 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.342 -5.493 10.346 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.847 -5.824 9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.831 -4.840 5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.877 -5.623 7.585 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.641 -3.863 7.463 1.00 0.00 H new ATOM 166 N LEU A 13 3.900 -3.063 11.535 1.00 0.00 N ATOM 167 CA LEU A 13 4.149 -2.892 12.956 1.00 0.00 C ATOM 168 C LEU A 13 4.587 -4.229 13.558 1.00 0.00 C ATOM 169 O LEU A 13 5.202 -4.263 14.622 1.00 0.00 O ATOM 170 CB LEU A 13 2.927 -2.279 13.644 1.00 0.00 C ATOM 171 CG LEU A 13 2.459 -0.928 13.100 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.075 -0.568 13.645 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.490 0.165 13.386 1.00 0.00 C ATOM 0 H LEU A 13 2.932 -3.278 11.295 1.00 0.00 H new ATOM 0 HA LEU A 13 4.965 -2.187 13.117 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.100 -2.985 13.568 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.152 -2.163 14.704 1.00 0.00 H new ATOM 0 HG LEU A 13 2.368 -1.008 12.017 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.765 0.397 13.243 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.357 -1.332 13.348 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.116 -0.512 14.733 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.133 1.115 12.989 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.637 0.254 14.462 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.436 -0.094 12.911 1.00 0.00 H new ATOM 185 N TYR A 14 4.254 -5.298 12.849 1.00 0.00 N ATOM 186 CA TYR A 14 4.606 -6.634 13.300 1.00 0.00 C ATOM 187 C TYR A 14 4.831 -7.571 12.112 1.00 0.00 C ATOM 188 O TYR A 14 4.065 -7.555 11.149 1.00 0.00 O ATOM 189 CB TYR A 14 3.409 -7.134 14.110 1.00 0.00 C ATOM 190 CG TYR A 14 2.993 -6.200 15.248 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.735 -6.155 16.410 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.875 -5.402 15.111 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.344 -5.275 17.481 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.483 -4.522 16.182 1.00 0.00 C ATOM 195 CZ TYR A 14 2.237 -4.502 17.314 1.00 0.00 C ATOM 196 OH TYR A 14 1.867 -3.671 18.325 1.00 0.00 O ATOM 0 H TYR A 14 3.744 -5.266 11.966 1.00 0.00 H new ATOM 0 HA TYR A 14 5.526 -6.613 13.884 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.561 -7.272 13.439 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.648 -8.113 14.526 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.609 -6.780 16.517 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.294 -5.437 14.201 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.916 -5.230 18.396 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.610 -3.893 16.088 1.00 0.00 H new ATOM 0 HH TYR A 14 1.060 -3.180 18.066 1.00 0.00 H new ATOM 206 N ASP A 15 5.885 -8.367 12.218 1.00 0.00 N ATOM 207 CA ASP A 15 6.220 -9.310 11.165 1.00 0.00 C ATOM 208 C ASP A 15 5.094 -10.337 11.028 1.00 0.00 C ATOM 209 O ASP A 15 4.588 -10.846 12.027 1.00 0.00 O ATOM 210 CB ASP A 15 7.510 -10.064 11.491 1.00 0.00 C ATOM 211 CG ASP A 15 7.536 -10.738 12.864 1.00 0.00 C ATOM 212 OD1 ASP A 15 7.308 -10.013 13.857 1.00 0.00 O ATOM 213 OD2 ASP A 15 7.783 -11.963 12.891 1.00 0.00 O ATOM 0 H ASP A 15 6.518 -8.378 13.018 1.00 0.00 H new ATOM 0 HA ASP A 15 6.354 -8.749 10.240 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.672 -10.824 10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.346 -9.367 11.429 1.00 0.00 H new ATOM 218 N PHE A 16 4.734 -10.611 9.783 1.00 0.00 N ATOM 219 CA PHE A 16 3.677 -11.568 9.502 1.00 0.00 C ATOM 220 C PHE A 16 4.143 -12.620 8.494 1.00 0.00 C ATOM 221 O PHE A 16 4.782 -12.288 7.496 1.00 0.00 O ATOM 222 CB PHE A 16 2.511 -10.782 8.899 1.00 0.00 C ATOM 223 CG PHE A 16 1.280 -11.636 8.589 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.479 -12.068 9.600 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.986 -11.963 7.302 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.663 -12.860 9.311 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.156 -12.755 7.013 1.00 0.00 C ATOM 228 CZ PHE A 16 -0.957 -13.187 8.025 1.00 0.00 C ATOM 0 H PHE A 16 5.156 -10.187 8.957 1.00 0.00 H new ATOM 0 HA PHE A 16 3.389 -12.084 10.418 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.226 -9.988 9.589 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.847 -10.300 7.981 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.712 -11.809 10.622 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.622 -11.620 6.499 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.299 -13.203 10.114 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.389 -13.015 5.991 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.826 -13.790 7.806 1.00 0.00 H new ATOM 238 N THR A 17 3.806 -13.866 8.789 1.00 0.00 N ATOM 239 CA THR A 17 4.182 -14.969 7.921 1.00 0.00 C ATOM 240 C THR A 17 2.970 -15.458 7.125 1.00 0.00 C ATOM 241 O THR A 17 2.170 -16.246 7.626 1.00 0.00 O ATOM 242 CB THR A 17 4.818 -16.057 8.788 1.00 0.00 C ATOM 243 OG1 THR A 17 5.983 -15.437 9.325 1.00 0.00 O ATOM 244 CG2 THR A 17 5.365 -17.221 7.958 1.00 0.00 C ATOM 0 H THR A 17 3.276 -14.137 9.617 1.00 0.00 H new ATOM 0 HA THR A 17 4.915 -14.655 7.178 1.00 0.00 H new ATOM 0 HB THR A 17 4.081 -16.432 9.499 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.456 -16.073 9.902 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.805 -17.965 8.621 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.553 -17.676 7.390 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.126 -16.852 7.271 1.00 0.00 H new ATOM 252 N ALA A 18 2.873 -14.969 5.897 1.00 0.00 N ATOM 253 CA ALA A 18 1.773 -15.346 5.026 1.00 0.00 C ATOM 254 C ALA A 18 1.493 -16.842 5.184 1.00 0.00 C ATOM 255 O ALA A 18 2.334 -17.674 4.847 1.00 0.00 O ATOM 256 CB ALA A 18 2.110 -14.966 3.583 1.00 0.00 C ATOM 0 H ALA A 18 3.538 -14.315 5.485 1.00 0.00 H new ATOM 0 HA ALA A 18 0.865 -14.809 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.284 -15.249 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.271 -13.890 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.015 -15.488 3.271 1.00 0.00 H new ATOM 324 N GLU A 23 -2.260 -14.710 1.225 1.00 0.00 N ATOM 325 CA GLU A 23 -1.630 -13.867 2.227 1.00 0.00 C ATOM 326 C GLU A 23 -0.231 -13.451 1.767 1.00 0.00 C ATOM 327 O GLU A 23 0.388 -14.136 0.954 1.00 0.00 O ATOM 328 CB GLU A 23 -1.575 -14.574 3.582 1.00 0.00 C ATOM 329 CG GLU A 23 -2.971 -14.687 4.199 1.00 0.00 C ATOM 330 CD GLU A 23 -2.885 -14.992 5.696 1.00 0.00 C ATOM 331 OE1 GLU A 23 -1.849 -15.562 6.101 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.858 -14.649 6.402 1.00 0.00 O ATOM 0 HA GLU A 23 -2.233 -12.967 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.146 -15.569 3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.919 -14.024 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.517 -13.757 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.533 -15.474 3.695 1.00 0.00 H new ATOM 339 N LEU A 24 0.227 -12.332 2.309 1.00 0.00 N ATOM 340 CA LEU A 24 1.541 -11.818 1.965 1.00 0.00 C ATOM 341 C LEU A 24 2.450 -11.889 3.194 1.00 0.00 C ATOM 342 O LEU A 24 1.987 -11.729 4.323 1.00 0.00 O ATOM 343 CB LEU A 24 1.427 -10.415 1.365 1.00 0.00 C ATOM 344 CG LEU A 24 2.584 -9.974 0.465 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.387 -10.478 -0.966 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.772 -8.457 0.517 1.00 0.00 C ATOM 0 H LEU A 24 -0.289 -11.767 2.984 1.00 0.00 H new ATOM 0 HA LEU A 24 2.001 -12.434 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.504 -10.362 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.334 -9.699 2.181 1.00 0.00 H new ATOM 0 HG LEU A 24 3.502 -10.425 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.222 -10.151 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.340 -11.567 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.458 -10.075 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.600 -8.171 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.860 -7.966 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.990 -8.152 1.541 1.00 0.00 H new ATOM 358 N SER A 25 3.726 -12.128 2.934 1.00 0.00 N ATOM 359 CA SER A 25 4.704 -12.222 4.005 1.00 0.00 C ATOM 360 C SER A 25 5.508 -10.924 4.095 1.00 0.00 C ATOM 361 O SER A 25 6.146 -10.516 3.126 1.00 0.00 O ATOM 362 CB SER A 25 5.641 -13.413 3.792 1.00 0.00 C ATOM 363 OG SER A 25 6.151 -13.460 2.463 1.00 0.00 O ATOM 0 H SER A 25 4.106 -12.260 1.997 1.00 0.00 H new ATOM 0 HA SER A 25 4.170 -12.377 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.470 -13.352 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.106 -14.338 4.008 1.00 0.00 H new ATOM 0 HG SER A 25 6.435 -12.563 2.190 1.00 0.00 H new ATOM 369 N VAL A 26 5.451 -10.310 5.268 1.00 0.00 N ATOM 370 CA VAL A 26 6.166 -9.066 5.497 1.00 0.00 C ATOM 371 C VAL A 26 6.897 -9.143 6.839 1.00 0.00 C ATOM 372 O VAL A 26 6.658 -10.056 7.629 1.00 0.00 O ATOM 373 CB VAL A 26 5.200 -7.883 5.409 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.568 -7.793 4.018 1.00 0.00 C ATOM 375 CG2 VAL A 26 4.125 -7.971 6.495 1.00 0.00 C ATOM 0 H VAL A 26 4.921 -10.651 6.070 1.00 0.00 H new ATOM 0 HA VAL A 26 6.919 -8.911 4.725 1.00 0.00 H new ATOM 0 HB VAL A 26 5.772 -6.970 5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.886 -6.944 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.350 -7.661 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.017 -8.710 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.451 -7.118 6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.559 -8.894 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.598 -7.963 7.477 1.00 0.00 H new ATOM 385 N LEU A 27 7.772 -8.172 7.057 1.00 0.00 N ATOM 386 CA LEU A 27 8.539 -8.118 8.290 1.00 0.00 C ATOM 387 C LEU A 27 8.206 -6.825 9.036 1.00 0.00 C ATOM 388 O LEU A 27 7.413 -6.015 8.559 1.00 0.00 O ATOM 389 CB LEU A 27 10.031 -8.295 8.001 1.00 0.00 C ATOM 390 CG LEU A 27 10.566 -9.726 8.088 1.00 0.00 C ATOM 391 CD1 LEU A 27 11.845 -9.884 7.262 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.768 -10.148 9.544 1.00 0.00 C ATOM 0 H LEU A 27 7.967 -7.416 6.400 1.00 0.00 H new ATOM 0 HA LEU A 27 8.265 -8.944 8.946 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.235 -7.912 7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.592 -7.675 8.700 1.00 0.00 H new ATOM 0 HG LEU A 27 9.821 -10.396 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.205 -10.910 7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.635 -9.652 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.608 -9.202 7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.149 -11.169 9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.483 -9.478 10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.816 -10.098 10.073 1.00 0.00 H new ATOM 404 N LYS A 28 8.828 -6.672 10.196 1.00 0.00 N ATOM 405 CA LYS A 28 8.608 -5.491 11.013 1.00 0.00 C ATOM 406 C LYS A 28 9.545 -4.373 10.550 1.00 0.00 C ATOM 407 O LYS A 28 10.663 -4.639 10.110 1.00 0.00 O ATOM 408 CB LYS A 28 8.745 -5.833 12.498 1.00 0.00 C ATOM 409 CG LYS A 28 8.328 -4.650 13.374 1.00 0.00 C ATOM 410 CD LYS A 28 9.048 -4.687 14.724 1.00 0.00 C ATOM 411 CE LYS A 28 8.056 -4.894 15.869 1.00 0.00 C ATOM 412 NZ LYS A 28 8.673 -5.693 16.952 1.00 0.00 N ATOM 0 H LYS A 28 9.484 -7.347 10.589 1.00 0.00 H new ATOM 0 HA LYS A 28 7.589 -5.126 10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.128 -6.700 12.734 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.777 -6.107 12.718 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.556 -3.715 12.862 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.250 -4.672 13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.784 -5.491 14.726 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.594 -3.755 14.875 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.735 -3.928 16.259 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.164 -5.400 15.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.986 -5.824 17.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.957 -6.622 16.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.510 -5.195 17.317 1.00 0.00 H new ATOM 426 N ASP A 29 9.055 -3.148 10.666 1.00 0.00 N ATOM 427 CA ASP A 29 9.835 -1.989 10.265 1.00 0.00 C ATOM 428 C ASP A 29 9.866 -1.904 8.738 1.00 0.00 C ATOM 429 O ASP A 29 10.559 -1.060 8.173 1.00 0.00 O ATOM 430 CB ASP A 29 11.278 -2.098 10.761 1.00 0.00 C ATOM 431 CG ASP A 29 12.033 -0.771 10.851 1.00 0.00 C ATOM 432 OD1 ASP A 29 11.582 0.086 11.643 1.00 0.00 O ATOM 433 OD2 ASP A 29 13.044 -0.642 10.127 1.00 0.00 O ATOM 0 H ASP A 29 8.128 -2.932 11.032 1.00 0.00 H new ATOM 0 HA ASP A 29 9.370 -1.104 10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.273 -2.563 11.747 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.825 -2.766 10.096 1.00 0.00 H new ATOM 438 N GLU A 30 9.105 -2.791 8.112 1.00 0.00 N ATOM 439 CA GLU A 30 9.036 -2.826 6.661 1.00 0.00 C ATOM 440 C GLU A 30 7.923 -1.904 6.160 1.00 0.00 C ATOM 441 O GLU A 30 7.029 -1.534 6.920 1.00 0.00 O ATOM 442 CB GLU A 30 8.832 -4.256 6.157 1.00 0.00 C ATOM 443 CG GLU A 30 10.151 -4.859 5.669 1.00 0.00 C ATOM 444 CD GLU A 30 9.926 -5.751 4.446 1.00 0.00 C ATOM 445 OE1 GLU A 30 9.855 -5.183 3.335 1.00 0.00 O ATOM 446 OE2 GLU A 30 9.831 -6.980 4.650 1.00 0.00 O ATOM 0 H GLU A 30 8.531 -3.490 8.583 1.00 0.00 H new ATOM 0 HA GLU A 30 9.985 -2.467 6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.420 -4.872 6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.104 -4.259 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.849 -4.061 5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.607 -5.441 6.470 1.00 0.00 H new ATOM 453 N VAL A 31 8.013 -1.559 4.884 1.00 0.00 N ATOM 454 CA VAL A 31 7.025 -0.687 4.272 1.00 0.00 C ATOM 455 C VAL A 31 6.529 -1.320 2.970 1.00 0.00 C ATOM 456 O VAL A 31 7.266 -1.387 1.988 1.00 0.00 O ATOM 457 CB VAL A 31 7.614 0.711 4.071 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.698 1.570 3.197 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.885 1.390 5.415 1.00 0.00 C ATOM 0 H VAL A 31 8.756 -1.868 4.257 1.00 0.00 H new ATOM 0 HA VAL A 31 6.161 -0.570 4.926 1.00 0.00 H new ATOM 0 HB VAL A 31 8.567 0.603 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.139 2.559 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.578 1.098 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.724 1.667 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.303 2.382 5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.952 1.481 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.593 0.792 5.989 1.00 0.00 H new ATOM 469 N LEU A 32 5.282 -1.768 3.005 1.00 0.00 N ATOM 470 CA LEU A 32 4.679 -2.393 1.840 1.00 0.00 C ATOM 471 C LEU A 32 3.782 -1.378 1.129 1.00 0.00 C ATOM 472 O LEU A 32 3.425 -0.350 1.704 1.00 0.00 O ATOM 473 CB LEU A 32 3.955 -3.681 2.238 1.00 0.00 C ATOM 474 CG LEU A 32 4.848 -4.887 2.536 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.898 -5.076 1.440 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.481 -4.771 3.924 1.00 0.00 C ATOM 0 H LEU A 32 4.673 -1.710 3.821 1.00 0.00 H new ATOM 0 HA LEU A 32 5.448 -2.693 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.349 -3.476 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.269 -3.951 1.436 1.00 0.00 H new ATOM 0 HG LEU A 32 4.224 -5.781 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.519 -5.940 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.401 -5.238 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.523 -4.185 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.111 -5.641 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.088 -3.867 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.696 -4.723 4.679 1.00 0.00 H new ATOM 488 N GLU A 33 3.444 -1.701 -0.110 1.00 0.00 N ATOM 489 CA GLU A 33 2.596 -0.830 -0.906 1.00 0.00 C ATOM 490 C GLU A 33 1.142 -1.301 -0.841 1.00 0.00 C ATOM 491 O GLU A 33 0.858 -2.481 -1.046 1.00 0.00 O ATOM 492 CB GLU A 33 3.086 -0.760 -2.354 1.00 0.00 C ATOM 493 CG GLU A 33 2.067 -0.046 -3.243 1.00 0.00 C ATOM 494 CD GLU A 33 2.762 0.702 -4.383 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.368 1.754 -4.085 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.672 0.205 -5.526 1.00 0.00 O ATOM 0 H GLU A 33 3.742 -2.554 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 33 2.650 0.176 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.040 -0.235 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.261 -1.767 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.366 -0.772 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.485 0.655 -2.645 1.00 0.00 H new ATOM 503 N VAL A 34 0.258 -0.356 -0.556 1.00 0.00 N ATOM 504 CA VAL A 34 -1.159 -0.660 -0.462 1.00 0.00 C ATOM 505 C VAL A 34 -1.767 -0.677 -1.865 1.00 0.00 C ATOM 506 O VAL A 34 -1.538 0.237 -2.656 1.00 0.00 O ATOM 507 CB VAL A 34 -1.847 0.334 0.476 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.831 1.746 -0.115 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.275 -0.110 0.795 1.00 0.00 C ATOM 0 H VAL A 34 0.496 0.621 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.309 -1.650 -0.031 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.287 0.355 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.326 2.433 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.800 2.065 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.356 1.746 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.741 0.614 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.851 -0.174 -0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.253 -1.087 1.278 1.00 0.00 H new ATOM 519 N LEU A 35 -2.530 -1.727 -2.133 1.00 0.00 N ATOM 520 CA LEU A 35 -3.173 -1.875 -3.427 1.00 0.00 C ATOM 521 C LEU A 35 -4.667 -1.577 -3.287 1.00 0.00 C ATOM 522 O LEU A 35 -5.213 -0.759 -4.026 1.00 0.00 O ATOM 523 CB LEU A 35 -2.873 -3.253 -4.020 1.00 0.00 C ATOM 524 CG LEU A 35 -1.441 -3.475 -4.512 1.00 0.00 C ATOM 525 CD1 LEU A 35 -0.470 -3.594 -3.336 1.00 0.00 C ATOM 526 CD2 LEU A 35 -1.363 -4.685 -5.444 1.00 0.00 C ATOM 0 H LEU A 35 -2.717 -2.484 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.770 -1.153 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.098 -4.008 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.553 -3.423 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.140 -2.602 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.541 -3.751 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.499 -2.678 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.759 -4.438 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.335 -4.820 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.691 -5.577 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.008 -4.521 -6.308 1.00 0.00 H new ATOM 538 N GLU A 36 -5.287 -2.258 -2.334 1.00 0.00 N ATOM 539 CA GLU A 36 -6.707 -2.077 -2.088 1.00 0.00 C ATOM 540 C GLU A 36 -6.959 -1.815 -0.602 1.00 0.00 C ATOM 541 O GLU A 36 -6.446 -2.533 0.254 1.00 0.00 O ATOM 542 CB GLU A 36 -7.507 -3.287 -2.575 1.00 0.00 C ATOM 543 CG GLU A 36 -8.071 -3.044 -3.976 1.00 0.00 C ATOM 544 CD GLU A 36 -9.185 -1.996 -3.944 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.165 -2.231 -3.204 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.032 -0.983 -4.660 1.00 0.00 O ATOM 0 H GLU A 36 -4.831 -2.936 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.046 -1.208 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.868 -4.170 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.323 -3.491 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.273 -2.712 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.457 -3.978 -4.384 1.00 0.00 H new ATOM 553 N ASP A 37 -7.749 -0.784 -0.341 1.00 0.00 N ATOM 554 CA ASP A 37 -8.075 -0.418 1.027 1.00 0.00 C ATOM 555 C ASP A 37 -9.585 -0.201 1.146 1.00 0.00 C ATOM 556 O ASP A 37 -10.299 -0.215 0.144 1.00 0.00 O ATOM 557 CB ASP A 37 -7.378 0.883 1.430 1.00 0.00 C ATOM 558 CG ASP A 37 -8.111 2.163 1.024 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.222 2.389 -0.201 1.00 0.00 O ATOM 560 OD2 ASP A 37 -8.545 2.886 1.946 1.00 0.00 O ATOM 0 H ASP A 37 -8.173 -0.190 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.741 -1.224 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.245 0.886 2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.382 0.896 0.987 1.00 0.00 H new ATOM 565 N GLY A 38 -10.027 -0.007 2.380 1.00 0.00 N ATOM 566 CA GLY A 38 -11.439 0.212 2.643 1.00 0.00 C ATOM 567 C GLY A 38 -12.112 -1.073 3.128 1.00 0.00 C ATOM 568 O GLY A 38 -13.257 -1.047 3.578 1.00 0.00 O ATOM 0 H GLY A 38 -9.432 0.003 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.556 0.994 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.931 0.565 1.737 1.00 0.00 H new ATOM 572 N ARG A 39 -11.373 -2.167 3.021 1.00 0.00 N ATOM 573 CA ARG A 39 -11.884 -3.460 3.443 1.00 0.00 C ATOM 574 C ARG A 39 -11.120 -3.957 4.673 1.00 0.00 C ATOM 575 O ARG A 39 -10.019 -3.487 4.956 1.00 0.00 O ATOM 576 CB ARG A 39 -11.761 -4.494 2.323 1.00 0.00 C ATOM 577 CG ARG A 39 -12.380 -3.973 1.025 1.00 0.00 C ATOM 578 CD ARG A 39 -13.676 -4.717 0.698 1.00 0.00 C ATOM 579 NE ARG A 39 -14.843 -3.913 1.123 1.00 0.00 N ATOM 580 CZ ARG A 39 -16.108 -4.356 1.105 1.00 0.00 C ATOM 581 NH1 ARG A 39 -16.376 -5.599 0.683 1.00 0.00 N ATOM 582 NH2 ARG A 39 -17.104 -3.555 1.509 1.00 0.00 N ATOM 0 H ARG A 39 -10.424 -2.185 2.648 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.938 -3.335 3.691 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.711 -4.734 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.256 -5.418 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.582 -2.906 1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.671 -4.093 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.731 -4.915 -0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.687 -5.683 1.202 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.674 -2.962 1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.618 -6.208 0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -17.338 -5.936 0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.899 -2.609 1.830 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -18.067 -3.892 1.495 1.00 0.00 H new ATOM 596 N GLN A 40 -11.734 -4.902 5.370 1.00 0.00 N ATOM 597 CA GLN A 40 -11.126 -5.467 6.562 1.00 0.00 C ATOM 598 C GLN A 40 -9.626 -5.676 6.344 1.00 0.00 C ATOM 599 O GLN A 40 -8.807 -4.945 6.900 1.00 0.00 O ATOM 600 CB GLN A 40 -11.809 -6.777 6.958 1.00 0.00 C ATOM 601 CG GLN A 40 -11.546 -7.111 8.427 1.00 0.00 C ATOM 602 CD GLN A 40 -12.846 -7.102 9.234 1.00 0.00 C ATOM 603 OE1 GLN A 40 -13.176 -6.146 9.916 1.00 0.00 O ATOM 604 NE2 GLN A 40 -13.563 -8.216 9.118 1.00 0.00 N ATOM 0 H GLN A 40 -12.647 -5.290 5.132 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.260 -4.763 7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.882 -6.698 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.444 -7.587 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.074 -8.091 8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.847 -6.388 8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.228 -8.979 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.448 -8.307 9.617 1.00 0.00 H new ATOM 613 N TRP A 41 -9.311 -6.676 5.534 1.00 0.00 N ATOM 614 CA TRP A 41 -7.924 -6.990 5.237 1.00 0.00 C ATOM 615 C TRP A 41 -7.501 -6.159 4.023 1.00 0.00 C ATOM 616 O TRP A 41 -8.227 -6.088 3.032 1.00 0.00 O ATOM 617 CB TRP A 41 -7.735 -8.494 5.027 1.00 0.00 C ATOM 618 CG TRP A 41 -7.949 -9.330 6.290 1.00 0.00 C ATOM 619 CD1 TRP A 41 -9.014 -9.339 7.102 1.00 0.00 C ATOM 620 CD2 TRP A 41 -7.026 -10.285 6.855 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.847 -10.227 8.146 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.599 -10.820 7.991 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.750 -10.684 6.421 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.968 -11.784 8.787 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.132 -11.647 7.227 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.696 -12.196 8.374 1.00 0.00 C ATOM 0 H TRP A 41 -9.993 -7.279 5.074 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.281 -6.731 6.078 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.428 -8.833 4.257 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.728 -8.674 4.651 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.893 -8.728 6.958 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.516 -10.414 8.893 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.283 -10.279 5.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.438 -12.188 9.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.149 -11.988 6.938 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.155 -12.937 8.943 1.00 0.00 H new ATOM 637 N TRP A 42 -6.330 -5.552 4.141 1.00 0.00 N ATOM 638 CA TRP A 42 -5.802 -4.729 3.066 1.00 0.00 C ATOM 639 C TRP A 42 -5.028 -5.639 2.110 1.00 0.00 C ATOM 640 O TRP A 42 -4.672 -6.761 2.467 1.00 0.00 O ATOM 641 CB TRP A 42 -4.952 -3.583 3.619 1.00 0.00 C ATOM 642 CG TRP A 42 -5.763 -2.483 4.308 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.088 -2.434 4.502 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.245 -1.269 4.890 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.460 -1.281 5.163 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.303 -0.550 5.407 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.924 -0.794 4.977 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.151 0.685 6.047 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.789 0.443 5.620 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.845 1.179 6.145 1.00 0.00 C ATOM 0 H TRP A 42 -5.731 -5.613 4.965 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.611 -4.251 2.514 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.232 -3.989 4.330 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.380 -3.142 2.803 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.778 -3.200 4.181 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.409 -1.014 5.424 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.081 -1.340 4.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.996 1.228 6.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.795 0.854 5.715 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.659 2.128 6.626 1.00 0.00 H new ATOM 661 N LYS A 43 -4.791 -5.122 0.913 1.00 0.00 N ATOM 662 CA LYS A 43 -4.067 -5.874 -0.097 1.00 0.00 C ATOM 663 C LYS A 43 -2.787 -5.121 -0.466 1.00 0.00 C ATOM 664 O LYS A 43 -2.841 -4.074 -1.109 1.00 0.00 O ATOM 665 CB LYS A 43 -4.971 -6.173 -1.294 1.00 0.00 C ATOM 666 CG LYS A 43 -4.396 -7.305 -2.147 1.00 0.00 C ATOM 667 CD LYS A 43 -4.990 -7.287 -3.556 1.00 0.00 C ATOM 668 CE LYS A 43 -4.622 -8.559 -4.323 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.842 -9.299 -4.715 1.00 0.00 N ATOM 0 H LYS A 43 -5.088 -4.191 0.620 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.765 -6.845 0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.966 -6.447 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.083 -5.276 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.312 -7.207 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.605 -8.264 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.074 -7.195 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.626 -6.414 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.045 -8.301 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.988 -9.193 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.613 -10.306 -4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.564 -9.196 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.208 -8.916 -5.610 1.00 0.00 H new ATOM 683 N LEU A 44 -1.664 -5.685 -0.043 1.00 0.00 N ATOM 684 CA LEU A 44 -0.373 -5.080 -0.322 1.00 0.00 C ATOM 685 C LEU A 44 0.412 -5.981 -1.277 1.00 0.00 C ATOM 686 O LEU A 44 0.036 -7.131 -1.502 1.00 0.00 O ATOM 687 CB LEU A 44 0.368 -4.774 0.982 1.00 0.00 C ATOM 688 CG LEU A 44 -0.508 -4.380 2.174 1.00 0.00 C ATOM 689 CD1 LEU A 44 -1.377 -3.167 1.838 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.343 -5.568 2.657 1.00 0.00 C ATOM 0 H LEU A 44 -1.622 -6.554 0.490 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.502 -4.120 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.952 -5.652 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.076 -3.967 0.794 1.00 0.00 H new ATOM 0 HG LEU A 44 0.145 -4.090 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.990 -2.908 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.738 -2.322 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.023 -3.405 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.956 -5.261 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.988 -5.912 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.681 -6.378 2.963 1.00 0.00 H new ATOM 702 N ARG A 45 1.488 -5.425 -1.815 1.00 0.00 N ATOM 703 CA ARG A 45 2.328 -6.163 -2.742 1.00 0.00 C ATOM 704 C ARG A 45 3.798 -6.047 -2.333 1.00 0.00 C ATOM 705 O ARG A 45 4.310 -4.943 -2.152 1.00 0.00 O ATOM 706 CB ARG A 45 2.161 -5.644 -4.171 1.00 0.00 C ATOM 707 CG ARG A 45 3.070 -6.403 -5.140 1.00 0.00 C ATOM 708 CD ARG A 45 3.504 -5.507 -6.301 1.00 0.00 C ATOM 709 NE ARG A 45 4.633 -4.647 -5.883 1.00 0.00 N ATOM 710 CZ ARG A 45 5.355 -3.893 -6.723 1.00 0.00 C ATOM 711 NH1 ARG A 45 5.070 -3.888 -8.032 1.00 0.00 N ATOM 712 NH2 ARG A 45 6.362 -3.143 -6.253 1.00 0.00 N ATOM 0 H ARG A 45 1.797 -4.471 -1.626 1.00 0.00 H new ATOM 0 HA ARG A 45 2.019 -7.208 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.122 -5.752 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.395 -4.580 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.949 -6.768 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.546 -7.277 -5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.799 -6.119 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.667 -4.889 -6.627 1.00 0.00 H new ATOM 0 HE ARG A 45 4.877 -4.627 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.303 -4.458 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.620 -3.314 -8.671 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.578 -3.146 -5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.912 -2.569 -6.892 1.00 0.00 H new ATOM 726 N SER A 46 4.436 -7.201 -2.200 1.00 0.00 N ATOM 727 CA SER A 46 5.836 -7.242 -1.816 1.00 0.00 C ATOM 728 C SER A 46 6.704 -6.675 -2.941 1.00 0.00 C ATOM 729 O SER A 46 6.275 -6.617 -4.092 1.00 0.00 O ATOM 730 CB SER A 46 6.273 -8.669 -1.477 1.00 0.00 C ATOM 731 OG SER A 46 6.041 -9.569 -2.557 1.00 0.00 O ATOM 0 H SER A 46 4.008 -8.115 -2.352 1.00 0.00 H new ATOM 0 HA SER A 46 5.963 -6.630 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.333 -8.673 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.733 -9.014 -0.595 1.00 0.00 H new ATOM 0 HG SER A 46 6.602 -10.365 -2.446 1.00 0.00 H new ATOM 737 N ARG A 47 7.910 -6.271 -2.569 1.00 0.00 N ATOM 738 CA ARG A 47 8.842 -5.711 -3.532 1.00 0.00 C ATOM 739 C ARG A 47 9.168 -6.740 -4.616 1.00 0.00 C ATOM 740 O ARG A 47 9.692 -6.390 -5.673 1.00 0.00 O ATOM 741 CB ARG A 47 10.139 -5.269 -2.852 1.00 0.00 C ATOM 742 CG ARG A 47 9.960 -3.920 -2.153 1.00 0.00 C ATOM 743 CD ARG A 47 9.875 -2.782 -3.172 1.00 0.00 C ATOM 744 NE ARG A 47 11.155 -2.040 -3.210 1.00 0.00 N ATOM 745 CZ ARG A 47 11.685 -1.402 -2.158 1.00 0.00 C ATOM 746 NH1 ARG A 47 11.049 -1.411 -0.979 1.00 0.00 N ATOM 747 NH2 ARG A 47 12.851 -0.754 -2.285 1.00 0.00 N ATOM 0 H ARG A 47 8.263 -6.321 -1.613 1.00 0.00 H new ATOM 0 HA ARG A 47 8.367 -4.840 -3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.447 -6.021 -2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.935 -5.196 -3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.055 -3.938 -1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.795 -3.744 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.648 -3.183 -4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.061 -2.107 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 47 11.666 -2.013 -4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.161 -1.904 -0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.453 -0.925 -0.178 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.335 -0.746 -3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.254 -0.268 -1.484 1.00 0.00 H new ATOM 761 N SER A 48 8.844 -7.990 -4.318 1.00 0.00 N ATOM 762 CA SER A 48 9.096 -9.073 -5.253 1.00 0.00 C ATOM 763 C SER A 48 8.037 -9.066 -6.358 1.00 0.00 C ATOM 764 O SER A 48 8.225 -9.682 -7.406 1.00 0.00 O ATOM 765 CB SER A 48 9.109 -10.426 -4.540 1.00 0.00 C ATOM 766 OG SER A 48 10.295 -11.164 -4.818 1.00 0.00 O ATOM 0 H SER A 48 8.409 -8.277 -3.441 1.00 0.00 H new ATOM 0 HA SER A 48 10.079 -8.919 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.023 -10.270 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.240 -11.007 -4.849 1.00 0.00 H new ATOM 0 HG SER A 48 10.266 -12.021 -4.343 1.00 0.00 H new ATOM 772 N GLY A 49 6.948 -8.362 -6.086 1.00 0.00 N ATOM 773 CA GLY A 49 5.860 -8.267 -7.045 1.00 0.00 C ATOM 774 C GLY A 49 4.640 -9.058 -6.569 1.00 0.00 C ATOM 775 O GLY A 49 3.551 -8.921 -7.125 1.00 0.00 O ATOM 0 H GLY A 49 6.796 -7.852 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.587 -7.222 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.189 -8.646 -8.013 1.00 0.00 H new ATOM 779 N GLN A 50 4.863 -9.868 -5.544 1.00 0.00 N ATOM 780 CA GLN A 50 3.795 -10.681 -4.987 1.00 0.00 C ATOM 781 C GLN A 50 2.745 -9.792 -4.317 1.00 0.00 C ATOM 782 O GLN A 50 3.050 -8.680 -3.889 1.00 0.00 O ATOM 783 CB GLN A 50 4.348 -11.713 -4.003 1.00 0.00 C ATOM 784 CG GLN A 50 4.157 -13.135 -4.534 1.00 0.00 C ATOM 785 CD GLN A 50 5.329 -13.551 -5.425 1.00 0.00 C ATOM 786 OE1 GLN A 50 6.342 -14.053 -4.968 1.00 0.00 O ATOM 787 NE2 GLN A 50 5.135 -13.313 -6.719 1.00 0.00 N ATOM 0 H GLN A 50 5.767 -9.979 -5.085 1.00 0.00 H new ATOM 0 HA GLN A 50 3.316 -11.224 -5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.408 -11.525 -3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.845 -11.610 -3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.066 -13.830 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.227 -13.194 -5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.262 -12.890 -7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.859 -13.554 -7.396 1.00 0.00 H new ATOM 796 N ALA A 51 1.530 -10.316 -4.247 1.00 0.00 N ATOM 797 CA ALA A 51 0.434 -9.584 -3.637 1.00 0.00 C ATOM 798 C ALA A 51 -0.400 -10.541 -2.783 1.00 0.00 C ATOM 799 O ALA A 51 -0.801 -11.606 -3.250 1.00 0.00 O ATOM 800 CB ALA A 51 -0.395 -8.903 -4.727 1.00 0.00 C ATOM 0 H ALA A 51 1.281 -11.239 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 51 0.814 -8.802 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.217 -8.354 -4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.236 -8.212 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.795 -9.657 -5.404 1.00 0.00 H new ATOM 806 N GLY A 52 -0.636 -10.127 -1.546 1.00 0.00 N ATOM 807 CA GLY A 52 -1.415 -10.935 -0.623 1.00 0.00 C ATOM 808 C GLY A 52 -2.162 -10.054 0.380 1.00 0.00 C ATOM 809 O GLY A 52 -1.851 -8.873 0.527 1.00 0.00 O ATOM 0 H GLY A 52 -0.302 -9.243 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.128 -11.544 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.757 -11.621 -0.090 1.00 0.00 H new ATOM 813 N TYR A 53 -3.133 -10.662 1.045 1.00 0.00 N ATOM 814 CA TYR A 53 -3.927 -9.947 2.031 1.00 0.00 C ATOM 815 C TYR A 53 -3.352 -10.133 3.437 1.00 0.00 C ATOM 816 O TYR A 53 -2.711 -11.143 3.721 1.00 0.00 O ATOM 817 CB TYR A 53 -5.324 -10.569 1.978 1.00 0.00 C ATOM 818 CG TYR A 53 -6.157 -10.126 0.773 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.609 -8.825 0.688 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.456 -11.028 -0.228 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.393 -8.408 -0.446 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.239 -10.611 -1.362 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.669 -9.321 -1.415 1.00 0.00 C ATOM 824 OH TYR A 53 -8.410 -8.928 -2.485 1.00 0.00 O ATOM 0 H TYR A 53 -3.388 -11.642 0.921 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.936 -8.879 1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.227 -11.655 1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.860 -10.312 2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.375 -8.120 1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.103 -12.046 -0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.754 -7.393 -0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.480 -11.306 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.527 -9.684 -3.097 1.00 0.00 H new ATOM 834 N VAL A 54 -3.603 -9.142 4.279 1.00 0.00 N ATOM 835 CA VAL A 54 -3.118 -9.183 5.649 1.00 0.00 C ATOM 836 C VAL A 54 -4.054 -8.364 6.541 1.00 0.00 C ATOM 837 O VAL A 54 -4.878 -7.598 6.044 1.00 0.00 O ATOM 838 CB VAL A 54 -1.667 -8.703 5.705 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.697 -9.886 5.708 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.361 -7.746 4.550 1.00 0.00 C ATOM 0 H VAL A 54 -4.136 -8.306 4.040 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.122 -10.206 6.026 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.531 -8.157 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.328 -9.516 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.891 -10.513 6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.836 -10.473 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.323 -7.420 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.523 -8.257 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.018 -6.879 4.612 1.00 0.00 H new ATOM 850 N PRO A 55 -3.891 -8.559 7.877 1.00 0.00 N ATOM 851 CA PRO A 55 -4.711 -7.848 8.843 1.00 0.00 C ATOM 852 C PRO A 55 -4.270 -6.389 8.967 1.00 0.00 C ATOM 853 O PRO A 55 -3.078 -6.090 8.913 1.00 0.00 O ATOM 854 CB PRO A 55 -4.557 -8.628 10.139 1.00 0.00 C ATOM 855 CG PRO A 55 -3.301 -9.468 9.973 1.00 0.00 C ATOM 856 CD PRO A 55 -2.925 -9.459 8.501 1.00 0.00 C ATOM 0 HA PRO A 55 -5.759 -7.795 8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.467 -7.955 10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.427 -9.258 10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.489 -9.063 10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.476 -10.488 10.316 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.904 -9.107 8.355 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.981 -10.459 8.072 1.00 0.00 H new ATOM 864 N CYS A 56 -5.255 -5.518 9.131 1.00 0.00 N ATOM 865 CA CYS A 56 -4.984 -4.097 9.264 1.00 0.00 C ATOM 866 C CYS A 56 -4.583 -3.817 10.713 1.00 0.00 C ATOM 867 O CYS A 56 -4.305 -2.675 11.075 1.00 0.00 O ATOM 868 CB CYS A 56 -6.181 -3.249 8.829 1.00 0.00 C ATOM 869 SG CYS A 56 -7.597 -3.545 9.951 1.00 0.00 S ATOM 0 H CYS A 56 -6.243 -5.769 9.175 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.165 -3.818 8.601 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.912 -2.193 8.840 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.460 -3.497 7.805 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.608 -2.819 9.575 1.00 0.00 H new ATOM 875 N ASN A 57 -4.565 -4.880 11.504 1.00 0.00 N ATOM 876 CA ASN A 57 -4.202 -4.764 12.907 1.00 0.00 C ATOM 877 C ASN A 57 -2.700 -4.495 13.020 1.00 0.00 C ATOM 878 O ASN A 57 -2.259 -3.792 13.928 1.00 0.00 O ATOM 879 CB ASN A 57 -4.510 -6.057 13.664 1.00 0.00 C ATOM 880 CG ASN A 57 -6.001 -6.162 13.987 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.568 -5.350 14.700 1.00 0.00 O ATOM 882 ND2 ASN A 57 -6.604 -7.205 13.423 1.00 0.00 N ATOM 0 H ASN A 57 -4.796 -5.826 11.200 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.780 -3.947 13.339 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.203 -6.915 13.066 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.931 -6.089 14.587 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.600 -7.363 13.577 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.070 -7.847 12.837 1.00 0.00 H new ATOM 889 N ILE A 58 -1.957 -5.068 12.085 1.00 0.00 N ATOM 890 CA ILE A 58 -0.514 -4.899 12.069 1.00 0.00 C ATOM 891 C ILE A 58 -0.154 -3.712 11.173 1.00 0.00 C ATOM 892 O ILE A 58 0.920 -3.128 11.312 1.00 0.00 O ATOM 893 CB ILE A 58 0.174 -6.205 11.665 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.116 -6.548 10.202 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.215 -7.344 12.609 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.415 -7.939 9.850 1.00 0.00 C ATOM 0 H ILE A 58 -2.327 -5.650 11.333 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.146 -4.668 13.069 1.00 0.00 H new ATOM 0 HB ILE A 58 1.251 -6.066 11.755 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.190 -6.508 10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.344 -5.804 9.552 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.287 -8.261 12.300 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.084 -7.092 13.626 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.294 -7.493 12.575 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.196 -8.158 8.805 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.493 -7.968 10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.065 -8.683 10.485 1.00 0.00 H new ATOM 908 N LEU A 59 -1.072 -3.390 10.274 1.00 0.00 N ATOM 909 CA LEU A 59 -0.865 -2.283 9.356 1.00 0.00 C ATOM 910 C LEU A 59 -0.951 -0.964 10.127 1.00 0.00 C ATOM 911 O LEU A 59 -1.657 -0.872 11.130 1.00 0.00 O ATOM 912 CB LEU A 59 -1.840 -2.373 8.180 1.00 0.00 C ATOM 913 CG LEU A 59 -1.744 -3.638 7.325 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.878 -3.693 6.299 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.368 -3.752 6.665 1.00 0.00 C ATOM 0 H LEU A 59 -1.961 -3.877 10.162 1.00 0.00 H new ATOM 0 HA LEU A 59 0.132 -2.332 8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.855 -2.297 8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.681 -1.509 7.535 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.859 -4.502 7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.787 -4.602 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.837 -3.693 6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.819 -2.823 5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.327 -4.660 6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.198 -2.885 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.403 -3.792 7.435 1.00 0.00 H new ATOM 927 N GLY A 60 -0.222 0.024 9.629 1.00 0.00 N ATOM 928 CA GLY A 60 -0.207 1.334 10.258 1.00 0.00 C ATOM 929 C GLY A 60 -0.192 2.446 9.208 1.00 0.00 C ATOM 930 O GLY A 60 -0.751 2.289 8.123 1.00 0.00 O ATOM 0 H GLY A 60 0.363 -0.056 8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.083 1.444 10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.669 1.423 10.900 1.00 0.00 H new