USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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: A3299 SER OG : rot 102:sc= 0.517 USER MOD Set 1.2: A3302 LYS NZ :NH3+ -146:sc= 1.82 (180deg=-0.192) USER MOD Set 2.1: A 13 GLN : amide:sc= 0.853 K(o=0.86,f=-0.45) USER MOD Set 2.2: A 17 GLN : amide:sc= 0.00847 X(o=0.86,f=0.84) USER MOD Single : A 4 ASN : amide:sc= -0.0592 X(o=-0.059,f=-0.16) USER MOD Single : A 6 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.55) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -131:sc= -0.263 (180deg=-1.44!) USER MOD Single : A 19 LYS NZ :NH3+ -108:sc= 0.146 (180deg=-0.482) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.45) USER MOD Single : A 26 ASN : amide:sc= 0.713 K(o=0.71,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A3291 THR OG1 : rot 180:sc= 0 USER MOD Single : A3295 GLN : amide:sc= -2.62! C(o=-2.6!,f=-3.8!) USER MOD Single : A3301 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.36) USER MOD Single : A3306 ASN : amide:sc= 0.203 X(o=0.2,f=0) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A3317 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -23.112 10.827 -1.809 1.00 0.00 N ATOM 33 CA ILE A 3 -22.239 10.130 -2.752 1.00 0.00 C ATOM 34 C ILE A 3 -21.824 8.779 -2.174 1.00 0.00 C ATOM 35 O ILE A 3 -22.074 8.491 -0.998 1.00 0.00 O ATOM 36 CB ILE A 3 -21.017 11.025 -3.083 1.00 0.00 C ATOM 37 CG1 ILE A 3 -20.497 10.862 -4.523 1.00 0.00 C ATOM 38 CG2 ILE A 3 -19.874 10.848 -2.066 1.00 0.00 C ATOM 39 CD1 ILE A 3 -21.507 11.221 -5.614 1.00 0.00 C ATOM 0 HA ILE A 3 -22.771 9.935 -3.683 1.00 0.00 H new ATOM 0 HB ILE A 3 -21.390 12.046 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -19.612 11.486 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -20.181 9.829 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -19.040 11.495 -2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -20.229 11.114 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -19.543 9.809 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -21.052 11.075 -6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -22.384 10.581 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -21.806 12.263 -5.504 1.00 0.00 H new ATOM 51 N ASN A 4 -21.154 7.979 -2.999 1.00 0.00 N ATOM 52 CA ASN A 4 -20.638 6.661 -2.669 1.00 0.00 C ATOM 53 C ASN A 4 -19.277 6.496 -3.319 1.00 0.00 C ATOM 54 O ASN A 4 -18.330 6.264 -2.582 1.00 0.00 O ATOM 55 CB ASN A 4 -21.630 5.539 -2.984 1.00 0.00 C ATOM 56 CG ASN A 4 -22.179 5.681 -4.382 1.00 0.00 C ATOM 57 OD1 ASN A 4 -23.096 6.465 -4.610 1.00 0.00 O ATOM 58 ND2 ASN A 4 -21.595 4.988 -5.330 1.00 0.00 N ATOM 0 H ASN A 4 -20.948 8.249 -3.961 1.00 0.00 H new ATOM 0 HA ASN A 4 -20.505 6.580 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -21.137 4.573 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -22.448 5.559 -2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -21.900 5.090 -6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -20.836 4.347 -5.099 1.00 0.00 H new ATOM 65 N GLU A 5 -19.127 6.749 -4.621 1.00 0.00 N ATOM 66 CA GLU A 5 -17.842 6.619 -5.329 1.00 0.00 C ATOM 67 C GLU A 5 -16.783 7.526 -4.702 1.00 0.00 C ATOM 68 O GLU A 5 -15.645 7.140 -4.457 1.00 0.00 O ATOM 69 CB GLU A 5 -17.998 7.003 -6.799 1.00 0.00 C ATOM 70 CG GLU A 5 -18.795 5.964 -7.587 1.00 0.00 C ATOM 71 CD GLU A 5 -19.287 6.578 -8.889 1.00 0.00 C ATOM 72 OE1 GLU A 5 -20.317 7.297 -8.861 1.00 0.00 O ATOM 73 OE2 GLU A 5 -18.641 6.370 -9.937 1.00 0.00 O ATOM 0 H GLU A 5 -19.894 7.052 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.528 5.578 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.496 7.970 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.012 7.119 -7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.172 5.095 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.641 5.615 -6.995 1.00 0.00 H new ATOM 80 N GLN A 6 -17.183 8.757 -4.402 1.00 0.00 N ATOM 81 CA GLN A 6 -16.267 9.716 -3.790 1.00 0.00 C ATOM 82 C GLN A 6 -15.955 9.309 -2.347 1.00 0.00 C ATOM 83 O GLN A 6 -14.907 9.702 -1.827 1.00 0.00 O ATOM 84 CB GLN A 6 -16.810 11.142 -3.876 1.00 0.00 C ATOM 85 CG GLN A 6 -16.533 11.810 -5.231 1.00 0.00 C ATOM 86 CD GLN A 6 -17.571 12.889 -5.539 1.00 0.00 C ATOM 87 OE1 GLN A 6 -17.798 13.813 -4.753 1.00 0.00 O ATOM 88 NE2 GLN A 6 -18.284 12.763 -6.642 1.00 0.00 N ATOM 0 H GLN A 6 -18.124 9.113 -4.570 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.332 9.703 -4.351 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -17.885 11.127 -3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.364 11.743 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.537 12.252 -5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.543 11.057 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.092 11.998 -7.288 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.027 13.431 -6.848 1.00 0.00 H new ATOM 97 N THR A 7 -16.858 8.598 -1.666 1.00 0.00 N ATOM 98 CA THR A 7 -16.634 8.147 -0.301 1.00 0.00 C ATOM 99 C THR A 7 -15.571 7.048 -0.263 1.00 0.00 C ATOM 100 O THR A 7 -14.751 7.065 0.646 1.00 0.00 O ATOM 101 CB THR A 7 -17.927 7.602 0.306 1.00 0.00 C ATOM 102 OG1 THR A 7 -18.960 8.565 0.221 1.00 0.00 O ATOM 103 CG2 THR A 7 -17.677 7.194 1.754 1.00 0.00 C ATOM 0 H THR A 7 -17.762 8.322 -2.050 1.00 0.00 H new ATOM 0 HA THR A 7 -16.292 9.005 0.278 1.00 0.00 H new ATOM 0 HB THR A 7 -18.246 6.724 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 7 -19.781 8.200 0.612 1.00 0.00 H new ATOM 0 HG21 THR A 7 -18.599 6.805 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.907 6.423 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 7 -17.346 8.062 2.325 1.00 0.00 H new ATOM 111 N LEU A 8 -15.478 6.180 -1.275 1.00 0.00 N ATOM 112 CA LEU A 8 -14.533 5.065 -1.380 1.00 0.00 C ATOM 113 C LEU A 8 -13.119 5.603 -1.159 1.00 0.00 C ATOM 114 O LEU A 8 -12.284 4.855 -0.678 1.00 0.00 O ATOM 115 CB LEU A 8 -14.608 4.379 -2.752 1.00 0.00 C ATOM 116 CG LEU A 8 -16.014 4.154 -3.340 1.00 0.00 C ATOM 117 CD1 LEU A 8 -15.965 3.481 -4.703 1.00 0.00 C ATOM 118 CD2 LEU A 8 -16.928 3.363 -2.417 1.00 0.00 C ATOM 0 H LEU A 8 -16.093 6.240 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.791 4.322 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.034 4.975 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -14.113 3.411 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.435 5.153 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.979 3.343 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.404 4.106 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.477 2.511 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.903 3.239 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.491 2.383 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -17.047 3.899 -1.475 1.00 0.00 H new ATOM 130 N ASP A 9 -12.832 6.874 -1.479 1.00 0.00 N ATOM 131 CA ASP A 9 -11.522 7.518 -1.291 1.00 0.00 C ATOM 132 C ASP A 9 -11.044 7.327 0.151 1.00 0.00 C ATOM 133 O ASP A 9 -9.888 6.952 0.375 1.00 0.00 O ATOM 134 CB ASP A 9 -11.634 9.024 -1.565 1.00 0.00 C ATOM 135 CG ASP A 9 -10.358 9.823 -1.236 1.00 0.00 C ATOM 136 OD1 ASP A 9 -10.244 10.333 -0.093 1.00 0.00 O ATOM 137 OD2 ASP A 9 -9.536 10.087 -2.141 1.00 0.00 O ATOM 0 H ASP A 9 -13.525 7.501 -1.888 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.814 7.062 -1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.882 9.173 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.462 9.427 -0.982 1.00 0.00 H new ATOM 142 N LYS A 10 -11.926 7.561 1.140 1.00 0.00 N ATOM 143 CA LYS A 10 -11.547 7.390 2.544 1.00 0.00 C ATOM 144 C LYS A 10 -11.303 5.915 2.848 1.00 0.00 C ATOM 145 O LYS A 10 -10.629 5.593 3.824 1.00 0.00 O ATOM 146 CB LYS A 10 -12.549 8.024 3.534 1.00 0.00 C ATOM 147 CG LYS A 10 -13.773 7.142 3.812 1.00 0.00 C ATOM 148 CD LYS A 10 -14.788 7.684 4.802 1.00 0.00 C ATOM 149 CE LYS A 10 -14.328 7.467 6.246 1.00 0.00 C ATOM 150 NZ LYS A 10 -15.474 7.555 7.168 1.00 0.00 N ATOM 0 H LYS A 10 -12.889 7.864 0.992 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.616 7.937 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.038 8.230 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.884 8.982 3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.283 6.959 2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.422 6.177 4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.941 8.748 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.749 7.193 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.851 6.491 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.580 8.214 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.147 7.406 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.911 8.495 7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.174 6.826 6.922 1.00 0.00 H new ATOM 164 N LEU A 11 -11.971 5.010 2.137 1.00 0.00 N ATOM 165 CA LEU A 11 -11.815 3.586 2.340 1.00 0.00 C ATOM 166 C LEU A 11 -10.502 3.098 1.723 1.00 0.00 C ATOM 167 O LEU A 11 -9.662 2.532 2.411 1.00 0.00 O ATOM 168 CB LEU A 11 -13.027 2.801 1.799 1.00 0.00 C ATOM 169 CG LEU A 11 -14.374 2.891 2.540 1.00 0.00 C ATOM 170 CD1 LEU A 11 -14.273 2.705 4.053 1.00 0.00 C ATOM 171 CD2 LEU A 11 -15.157 4.167 2.247 1.00 0.00 C ATOM 0 H LEU A 11 -12.636 5.252 1.403 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.772 3.398 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.196 3.125 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.745 1.749 1.759 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.925 2.044 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.266 2.783 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.854 1.723 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.627 3.476 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -16.093 4.156 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.566 5.033 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.372 4.225 1.180 1.00 0.00 H new ATOM 183 N ARG A 12 -10.261 3.344 0.437 1.00 0.00 N ATOM 184 CA ARG A 12 -9.067 2.898 -0.285 1.00 0.00 C ATOM 185 C ARG A 12 -7.790 3.426 0.323 1.00 0.00 C ATOM 186 O ARG A 12 -6.826 2.677 0.430 1.00 0.00 O ATOM 187 CB ARG A 12 -9.194 3.153 -1.792 1.00 0.00 C ATOM 188 CG ARG A 12 -9.711 4.524 -2.215 1.00 0.00 C ATOM 189 CD ARG A 12 -8.805 5.222 -3.216 1.00 0.00 C ATOM 190 NE ARG A 12 -7.767 6.017 -2.538 1.00 0.00 N ATOM 191 CZ ARG A 12 -7.528 7.319 -2.735 1.00 0.00 C ATOM 192 NH1 ARG A 12 -8.127 7.981 -3.716 1.00 0.00 N ATOM 193 NH2 ARG A 12 -6.692 7.965 -1.928 1.00 0.00 N ATOM 0 H ARG A 12 -10.907 3.873 -0.149 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.998 1.816 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.214 3.004 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.857 2.396 -2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.704 4.412 -2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.819 5.153 -1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.334 4.481 -3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.401 5.871 -3.858 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.179 5.533 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.780 7.498 -4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.935 8.973 -3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.236 7.468 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.507 8.957 -2.074 1.00 0.00 H new ATOM 207 N GLN A 13 -7.777 4.677 0.772 1.00 0.00 N ATOM 208 CA GLN A 13 -6.596 5.254 1.408 1.00 0.00 C ATOM 209 C GLN A 13 -6.187 4.433 2.637 1.00 0.00 C ATOM 210 O GLN A 13 -5.006 4.342 2.957 1.00 0.00 O ATOM 211 CB GLN A 13 -6.833 6.731 1.744 1.00 0.00 C ATOM 212 CG GLN A 13 -7.912 6.971 2.804 1.00 0.00 C ATOM 213 CD GLN A 13 -7.476 6.876 4.268 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.361 7.209 4.663 1.00 0.00 O ATOM 215 NE2 GLN A 13 -8.353 6.406 5.138 1.00 0.00 N ATOM 0 H GLN A 13 -8.572 5.312 0.707 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.762 5.215 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.896 7.167 2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.112 7.259 0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.335 7.962 2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.714 6.251 2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.282 6.126 4.825 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.101 6.324 6.123 1.00 0.00 H new ATOM 224 N ALA A 14 -7.144 3.825 3.338 1.00 0.00 N ATOM 225 CA ALA A 14 -6.845 3.028 4.509 1.00 0.00 C ATOM 226 C ALA A 14 -6.231 1.701 4.087 1.00 0.00 C ATOM 227 O ALA A 14 -5.184 1.308 4.602 1.00 0.00 O ATOM 228 CB ALA A 14 -8.144 2.762 5.263 1.00 0.00 C ATOM 0 H ALA A 14 -8.136 3.875 3.107 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.140 3.562 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.934 2.162 6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.591 3.710 5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.837 2.224 4.616 1.00 0.00 H new ATOM 234 N VAL A 15 -6.874 1.022 3.131 1.00 0.00 N ATOM 235 CA VAL A 15 -6.416 -0.268 2.624 1.00 0.00 C ATOM 236 C VAL A 15 -5.016 -0.123 2.035 1.00 0.00 C ATOM 237 O VAL A 15 -4.149 -0.957 2.272 1.00 0.00 O ATOM 238 CB VAL A 15 -7.397 -0.848 1.588 1.00 0.00 C ATOM 239 CG1 VAL A 15 -7.067 -2.315 1.284 1.00 0.00 C ATOM 240 CG2 VAL A 15 -8.842 -0.782 2.066 1.00 0.00 C ATOM 0 H VAL A 15 -7.730 1.356 2.688 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.377 -0.972 3.455 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.287 -0.238 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.774 -2.702 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.055 -2.385 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.138 -2.901 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.497 -1.202 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.947 -1.353 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.118 0.257 2.249 1.00 0.00 H new ATOM 250 N LEU A 16 -4.771 0.955 1.293 1.00 0.00 N ATOM 251 CA LEU A 16 -3.480 1.199 0.669 1.00 0.00 C ATOM 252 C LEU A 16 -2.433 1.417 1.747 1.00 0.00 C ATOM 253 O LEU A 16 -1.376 0.802 1.673 1.00 0.00 O ATOM 254 CB LEU A 16 -3.543 2.286 -0.428 1.00 0.00 C ATOM 255 CG LEU A 16 -3.394 3.769 -0.066 1.00 0.00 C ATOM 256 CD1 LEU A 16 -1.930 4.189 0.056 1.00 0.00 C ATOM 257 CD2 LEU A 16 -4.058 4.625 -1.153 1.00 0.00 C ATOM 0 H LEU A 16 -5.464 1.681 1.110 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.169 0.316 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.766 2.053 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.500 2.174 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.873 3.919 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.875 5.247 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.446 3.600 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.423 4.020 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.954 5.680 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.576 4.433 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.116 4.371 -1.221 1.00 0.00 H new ATOM 269 N GLN A 17 -2.729 2.226 2.773 1.00 0.00 N ATOM 270 CA GLN A 17 -1.775 2.492 3.845 1.00 0.00 C ATOM 271 C GLN A 17 -1.420 1.186 4.566 1.00 0.00 C ATOM 272 O GLN A 17 -0.233 0.901 4.715 1.00 0.00 O ATOM 273 CB GLN A 17 -2.283 3.638 4.745 1.00 0.00 C ATOM 274 CG GLN A 17 -2.116 4.972 3.985 1.00 0.00 C ATOM 275 CD GLN A 17 -2.898 6.151 4.557 1.00 0.00 C ATOM 276 OE1 GLN A 17 -2.879 6.450 5.749 1.00 0.00 O ATOM 277 NE2 GLN A 17 -3.626 6.862 3.714 1.00 0.00 N ATOM 0 H GLN A 17 -3.623 2.705 2.878 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.830 2.858 3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.330 3.479 5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.722 3.662 5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.058 5.232 3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.422 4.822 2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.644 6.617 2.724 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.169 7.656 4.053 1.00 0.00 H new ATOM 286 N LYS A 18 -2.384 0.346 4.987 1.00 0.00 N ATOM 287 CA LYS A 18 -2.002 -0.914 5.636 1.00 0.00 C ATOM 288 C LYS A 18 -1.261 -1.832 4.659 1.00 0.00 C ATOM 289 O LYS A 18 -0.250 -2.414 5.040 1.00 0.00 O ATOM 290 CB LYS A 18 -3.199 -1.574 6.318 1.00 0.00 C ATOM 291 CG LYS A 18 -4.416 -1.867 5.427 1.00 0.00 C ATOM 292 CD LYS A 18 -5.722 -1.850 6.231 1.00 0.00 C ATOM 293 CE LYS A 18 -5.849 -3.181 7.015 1.00 0.00 C ATOM 294 NZ LYS A 18 -6.583 -3.155 8.308 1.00 0.00 N ATOM 0 H LYS A 18 -3.387 0.508 4.895 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.295 -0.696 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.865 -2.513 6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.522 -0.932 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.470 -1.127 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.294 -2.840 4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.729 -1.005 6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.574 -1.724 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.339 -3.907 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.843 -3.554 7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.015 -3.630 9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.755 -2.169 8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.492 -3.648 8.201 1.00 0.00 H new ATOM 308 N LYS A 19 -1.659 -1.868 3.386 1.00 0.00 N ATOM 309 CA LYS A 19 -1.021 -2.687 2.356 1.00 0.00 C ATOM 310 C LYS A 19 0.460 -2.372 2.224 1.00 0.00 C ATOM 311 O LYS A 19 1.211 -3.265 1.829 1.00 0.00 O ATOM 312 CB LYS A 19 -1.756 -2.626 1.007 1.00 0.00 C ATOM 313 CG LYS A 19 -2.872 -3.688 0.933 1.00 0.00 C ATOM 314 CD LYS A 19 -3.666 -3.591 -0.376 1.00 0.00 C ATOM 315 CE LYS A 19 -4.524 -4.818 -0.717 1.00 0.00 C ATOM 316 NZ LYS A 19 -5.473 -5.253 0.336 1.00 0.00 N ATOM 0 H LYS A 19 -2.446 -1.320 3.037 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.098 -3.722 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.185 -1.634 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.046 -2.783 0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.434 -4.682 1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.549 -3.564 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.316 -2.717 -0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.966 -3.419 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.090 -4.602 -1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.859 -5.650 -0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.135 -6.139 0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.540 -4.518 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.411 -5.408 -0.085 1.00 0.00 H new ATOM 330 N ILE A 20 0.930 -1.155 2.519 1.00 0.00 N ATOM 331 CA ILE A 20 2.359 -0.871 2.401 1.00 0.00 C ATOM 332 C ILE A 20 3.119 -1.774 3.384 1.00 0.00 C ATOM 333 O ILE A 20 4.149 -2.351 3.030 1.00 0.00 O ATOM 334 CB ILE A 20 2.672 0.627 2.618 1.00 0.00 C ATOM 335 CG1 ILE A 20 1.769 1.565 1.790 1.00 0.00 C ATOM 336 CG2 ILE A 20 4.148 0.904 2.286 1.00 0.00 C ATOM 337 CD1 ILE A 20 1.536 1.159 0.327 1.00 0.00 C ATOM 0 H ILE A 20 0.357 -0.371 2.833 1.00 0.00 H new ATOM 0 HA ILE A 20 2.689 -1.091 1.386 1.00 0.00 H new ATOM 0 HB ILE A 20 2.470 0.840 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.801 1.635 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.207 2.563 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.363 1.961 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.786 0.305 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.342 0.642 1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.888 1.891 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.491 1.120 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.063 0.177 0.293 1.00 0.00 H new ATOM 349 N LYS A 21 2.583 -1.934 4.599 1.00 0.00 N ATOM 350 CA LYS A 21 3.143 -2.768 5.665 1.00 0.00 C ATOM 351 C LYS A 21 3.106 -4.232 5.250 1.00 0.00 C ATOM 352 O LYS A 21 3.906 -5.034 5.724 1.00 0.00 O ATOM 353 CB LYS A 21 2.308 -2.681 6.950 1.00 0.00 C ATOM 354 CG LYS A 21 1.941 -1.253 7.344 1.00 0.00 C ATOM 355 CD LYS A 21 1.023 -1.276 8.566 1.00 0.00 C ATOM 356 CE LYS A 21 0.408 0.113 8.739 1.00 0.00 C ATOM 357 NZ LYS A 21 1.334 1.066 9.388 1.00 0.00 N ATOM 0 H LYS A 21 1.718 -1.470 4.875 1.00 0.00 H new ATOM 0 HA LYS A 21 4.158 -2.410 5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.393 -3.259 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.863 -3.143 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.843 -0.683 7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.444 -0.752 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.240 -2.023 8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.586 -1.554 9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.117 0.502 7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.501 0.032 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.870 1.992 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.593 0.711 10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.192 1.166 8.808 1.00 0.00 H new ATOM 371 N GLU A 22 2.144 -4.612 4.416 1.00 0.00 N ATOM 372 CA GLU A 22 1.995 -5.989 3.978 1.00 0.00 C ATOM 373 C GLU A 22 3.088 -6.336 2.986 1.00 0.00 C ATOM 374 O GLU A 22 3.809 -7.297 3.234 1.00 0.00 O ATOM 375 CB GLU A 22 0.602 -6.218 3.373 1.00 0.00 C ATOM 376 CG GLU A 22 -0.484 -6.032 4.431 1.00 0.00 C ATOM 377 CD GLU A 22 -1.903 -6.062 3.848 1.00 0.00 C ATOM 378 OE1 GLU A 22 -2.616 -5.041 3.985 1.00 0.00 O ATOM 379 OE2 GLU A 22 -2.333 -7.089 3.275 1.00 0.00 O ATOM 0 H GLU A 22 1.449 -3.974 4.027 1.00 0.00 H new ATOM 0 HA GLU A 22 2.092 -6.648 4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.438 -5.522 2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.542 -7.223 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.389 -6.816 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.327 -5.082 4.941 1.00 0.00 H new ATOM 386 N ARG A 23 3.308 -5.528 1.945 1.00 0.00 N ATOM 387 CA ARG A 23 4.351 -5.830 0.960 1.00 0.00 C ATOM 388 C ARG A 23 5.737 -5.797 1.589 1.00 0.00 C ATOM 389 O ARG A 23 6.550 -6.660 1.270 1.00 0.00 O ATOM 390 CB ARG A 23 4.240 -4.970 -0.317 1.00 0.00 C ATOM 391 CG ARG A 23 4.106 -3.448 -0.145 1.00 0.00 C ATOM 392 CD ARG A 23 5.452 -2.718 -0.255 1.00 0.00 C ATOM 393 NE ARG A 23 6.031 -2.819 -1.616 1.00 0.00 N ATOM 394 CZ ARG A 23 7.297 -3.114 -1.955 1.00 0.00 C ATOM 395 NH1 ARG A 23 8.210 -3.442 -1.050 1.00 0.00 N ATOM 396 NH2 ARG A 23 7.708 -3.057 -3.213 1.00 0.00 N ATOM 0 H ARG A 23 2.786 -4.671 1.763 1.00 0.00 H new ATOM 0 HA ARG A 23 4.185 -6.854 0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.122 -5.162 -0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.377 -5.321 -0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.424 -3.060 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.660 -3.234 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.317 -1.668 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.152 -3.137 0.468 1.00 0.00 H new ATOM 0 HE ARG A 23 5.390 -2.643 -2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.959 -3.476 -0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.163 -3.660 -1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.058 -2.784 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.675 -3.286 -3.445 1.00 0.00 H new ATOM 410 N ILE A 24 6.025 -4.849 2.483 1.00 0.00 N ATOM 411 CA ILE A 24 7.337 -4.773 3.123 1.00 0.00 C ATOM 412 C ILE A 24 7.568 -5.954 4.074 1.00 0.00 C ATOM 413 O ILE A 24 8.653 -6.534 4.051 1.00 0.00 O ATOM 414 CB ILE A 24 7.526 -3.410 3.832 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.954 -3.248 4.403 1.00 0.00 C ATOM 416 CG2 ILE A 24 6.486 -3.200 4.942 1.00 0.00 C ATOM 417 CD1 ILE A 24 9.085 -2.028 5.319 1.00 0.00 C ATOM 0 H ILE A 24 5.369 -4.126 2.779 1.00 0.00 H new ATOM 0 HA ILE A 24 8.097 -4.844 2.345 1.00 0.00 H new ATOM 0 HB ILE A 24 7.377 -2.644 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.223 -4.146 4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.663 -3.158 3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.651 -2.233 5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.485 -3.228 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.583 -3.990 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.107 -1.961 5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.844 -1.125 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.398 -2.128 6.159 1.00 0.00 H new ATOM 429 N GLN A 25 6.580 -6.301 4.910 1.00 0.00 N ATOM 430 CA GLN A 25 6.724 -7.378 5.875 1.00 0.00 C ATOM 431 C GLN A 25 6.629 -8.776 5.261 1.00 0.00 C ATOM 432 O GLN A 25 7.494 -9.606 5.532 1.00 0.00 O ATOM 433 CB GLN A 25 5.645 -7.205 6.956 1.00 0.00 C ATOM 434 CG GLN A 25 5.832 -8.155 8.138 1.00 0.00 C ATOM 435 CD GLN A 25 4.589 -8.118 9.014 1.00 0.00 C ATOM 436 OE1 GLN A 25 3.459 -8.151 8.541 1.00 0.00 O ATOM 437 NE2 GLN A 25 4.733 -7.971 10.306 1.00 0.00 N ATOM 0 H GLN A 25 5.669 -5.842 4.930 1.00 0.00 H new ATOM 0 HA GLN A 25 7.727 -7.308 6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.660 -6.177 7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.663 -7.373 6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.008 -9.169 7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.708 -7.865 8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.667 -7.942 10.715 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.911 -7.886 10.904 1.00 0.00 H new ATOM 446 N ASN A 26 5.619 -9.039 4.428 1.00 0.00 N ATOM 447 CA ASN A 26 5.449 -10.362 3.828 1.00 0.00 C ATOM 448 C ASN A 26 6.507 -10.564 2.761 1.00 0.00 C ATOM 449 O ASN A 26 7.208 -11.568 2.770 1.00 0.00 O ATOM 450 CB ASN A 26 4.052 -10.534 3.194 1.00 0.00 C ATOM 451 CG ASN A 26 2.941 -10.595 4.224 1.00 0.00 C ATOM 452 OD1 ASN A 26 2.475 -11.667 4.603 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.495 -9.445 4.695 1.00 0.00 N ATOM 0 H ASN A 26 4.911 -8.357 4.156 1.00 0.00 H new ATOM 0 HA ASN A 26 5.551 -11.104 4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.863 -9.705 2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.039 -11.446 2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.748 -9.434 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.898 -8.568 4.365 1.00 0.00 H new ATOM 460 N SER A 27 6.625 -9.599 1.846 1.00 0.00 N ATOM 461 CA SER A 27 7.571 -9.617 0.730 1.00 0.00 C ATOM 462 C SER A 27 7.428 -10.863 -0.161 1.00 0.00 C ATOM 463 O SER A 27 8.307 -11.161 -0.968 1.00 0.00 O ATOM 464 CB SER A 27 8.995 -9.409 1.277 1.00 0.00 C ATOM 465 OG SER A 27 9.852 -8.796 0.333 1.00 0.00 O ATOM 0 H SER A 27 6.047 -8.759 1.863 1.00 0.00 H new ATOM 0 HA SER A 27 7.340 -8.791 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.950 -8.794 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.413 -10.372 1.571 1.00 0.00 H new ATOM 0 HG SER A 27 10.743 -8.683 0.725 1.00 0.00 H new ATOM 834 N ILE A3289 8.304 5.524 2.477 1.00 0.00 N ATOM 835 CA ILE A3289 9.588 5.803 1.862 1.00 0.00 C ATOM 836 C ILE A3289 9.192 6.200 0.458 1.00 0.00 C ATOM 837 O ILE A3289 8.776 5.347 -0.312 1.00 0.00 O ATOM 838 CB ILE A3289 10.538 4.588 1.940 1.00 0.00 C ATOM 839 CG1 ILE A3289 10.697 4.108 3.398 1.00 0.00 C ATOM 840 CG2 ILE A3289 11.891 5.032 1.365 1.00 0.00 C ATOM 841 CD1 ILE A3289 11.632 2.907 3.590 1.00 0.00 C ATOM 0 HA ILE A3289 10.167 6.583 2.357 1.00 0.00 H new ATOM 0 HB ILE A3289 10.134 3.751 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A3289 11.069 4.938 3.999 1.00 0.00 H new ATOM 0 HG13 ILE A3289 9.713 3.848 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A3289 12.593 4.199 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A3289 11.760 5.350 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A3289 12.282 5.862 1.953 1.00 0.00 H new ATOM 0 HD11 ILE A3289 11.677 2.646 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A3289 11.253 2.057 3.023 1.00 0.00 H new ATOM 0 HD13 ILE A3289 12.631 3.163 3.237 1.00 0.00 H new ATOM 853 N GLU A3290 9.244 7.475 0.112 1.00 0.00 N ATOM 854 CA GLU A3290 8.844 7.947 -1.205 1.00 0.00 C ATOM 855 C GLU A3290 9.677 7.373 -2.353 1.00 0.00 C ATOM 856 O GLU A3290 9.136 7.231 -3.448 1.00 0.00 O ATOM 857 CB GLU A3290 8.856 9.474 -1.224 1.00 0.00 C ATOM 858 CG GLU A3290 8.138 10.022 -2.459 1.00 0.00 C ATOM 859 CD GLU A3290 7.919 11.522 -2.351 1.00 0.00 C ATOM 860 OE1 GLU A3290 6.763 11.962 -2.565 1.00 0.00 O ATOM 861 OE2 GLU A3290 8.891 12.259 -2.055 1.00 0.00 O ATOM 0 H GLU A3290 9.565 8.214 0.737 1.00 0.00 H new ATOM 0 HA GLU A3290 7.833 7.580 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A3290 8.375 9.854 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A3290 9.886 9.832 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A3290 8.724 9.801 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU A3290 7.178 9.520 -2.577 1.00 0.00 H new ATOM 868 N THR A3291 10.910 6.913 -2.119 1.00 0.00 N ATOM 869 CA THR A3291 11.775 6.372 -3.168 1.00 0.00 C ATOM 870 C THR A3291 12.368 5.008 -2.795 1.00 0.00 C ATOM 871 O THR A3291 13.566 4.862 -2.552 1.00 0.00 O ATOM 872 CB THR A3291 12.769 7.469 -3.594 1.00 0.00 C ATOM 873 OG1 THR A3291 13.486 7.046 -4.735 1.00 0.00 O ATOM 874 CG2 THR A3291 13.739 7.962 -2.510 1.00 0.00 C ATOM 0 H THR A3291 11.336 6.906 -1.192 1.00 0.00 H new ATOM 0 HA THR A3291 11.200 6.121 -4.059 1.00 0.00 H new ATOM 0 HB THR A3291 12.148 8.337 -3.813 1.00 0.00 H new ATOM 0 HG1 THR A3291 14.116 7.747 -5.004 1.00 0.00 H new ATOM 0 HG21 THR A3291 14.389 8.732 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A3291 13.173 8.377 -1.676 1.00 0.00 H new ATOM 0 HG23 THR A3291 14.345 7.128 -2.157 1.00 0.00 H new ATOM 882 N PHE A3292 11.526 3.974 -2.768 1.00 0.00 N ATOM 883 CA PHE A3292 11.948 2.613 -2.433 1.00 0.00 C ATOM 884 C PHE A3292 10.985 1.536 -2.938 1.00 0.00 C ATOM 885 O PHE A3292 11.418 0.428 -3.234 1.00 0.00 O ATOM 886 CB PHE A3292 12.076 2.537 -0.912 1.00 0.00 C ATOM 887 CG PHE A3292 12.545 1.210 -0.349 1.00 0.00 C ATOM 888 CD1 PHE A3292 13.763 0.645 -0.773 1.00 0.00 C ATOM 889 CD2 PHE A3292 11.765 0.540 0.610 1.00 0.00 C ATOM 890 CE1 PHE A3292 14.179 -0.593 -0.257 1.00 0.00 C ATOM 891 CE2 PHE A3292 12.182 -0.697 1.131 1.00 0.00 C ATOM 892 CZ PHE A3292 13.386 -1.268 0.690 1.00 0.00 C ATOM 0 H PHE A3292 10.531 4.057 -2.978 1.00 0.00 H new ATOM 0 HA PHE A3292 12.897 2.412 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A3292 12.770 3.312 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A3292 11.106 2.772 -0.474 1.00 0.00 H new ATOM 0 HD1 PHE A3292 14.377 1.163 -1.495 1.00 0.00 H new ATOM 0 HD2 PHE A3292 10.838 0.979 0.949 1.00 0.00 H new ATOM 0 HE1 PHE A3292 15.110 -1.029 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE A3292 11.578 -1.206 1.868 1.00 0.00 H new ATOM 0 HZ PHE A3292 13.704 -2.225 1.077 1.00 0.00 H new ATOM 902 N PHE A3293 9.695 1.849 -3.037 1.00 0.00 N ATOM 903 CA PHE A3293 8.653 0.945 -3.507 1.00 0.00 C ATOM 904 C PHE A3293 7.563 1.715 -4.257 1.00 0.00 C ATOM 905 O PHE A3293 6.510 1.145 -4.507 1.00 0.00 O ATOM 906 CB PHE A3293 8.078 0.123 -2.325 1.00 0.00 C ATOM 907 CG PHE A3293 7.963 0.806 -0.970 1.00 0.00 C ATOM 908 CD1 PHE A3293 8.335 0.118 0.201 1.00 0.00 C ATOM 909 CD2 PHE A3293 7.493 2.128 -0.867 1.00 0.00 C ATOM 910 CE1 PHE A3293 8.255 0.753 1.455 1.00 0.00 C ATOM 911 CE2 PHE A3293 7.436 2.762 0.381 1.00 0.00 C ATOM 912 CZ PHE A3293 7.809 2.080 1.550 1.00 0.00 C ATOM 0 H PHE A3293 9.337 2.770 -2.783 1.00 0.00 H new ATOM 0 HA PHE A3293 9.090 0.240 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE A3293 7.084 -0.222 -2.610 1.00 0.00 H new ATOM 0 HB3 PHE A3293 8.700 -0.763 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A3293 8.684 -0.902 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A3293 7.175 2.656 -1.754 1.00 0.00 H new ATOM 0 HE1 PHE A3293 8.538 0.216 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A3293 7.101 3.787 0.444 1.00 0.00 H new ATOM 0 HZ PHE A3293 7.753 2.571 2.511 1.00 0.00 H new ATOM 922 N ALA A3294 7.783 2.975 -4.652 1.00 0.00 N ATOM 923 CA ALA A3294 6.827 3.842 -5.344 1.00 0.00 C ATOM 924 C ALA A3294 6.206 3.164 -6.552 1.00 0.00 C ATOM 925 O ALA A3294 5.031 3.354 -6.853 1.00 0.00 O ATOM 926 CB ALA A3294 7.495 5.154 -5.768 1.00 0.00 C ATOM 0 H ALA A3294 8.677 3.438 -4.489 1.00 0.00 H new ATOM 0 HA ALA A3294 6.026 4.057 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA A3294 6.768 5.784 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A3294 7.868 5.674 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A3294 8.326 4.939 -6.440 1.00 0.00 H new ATOM 932 N GLN A3295 7.036 2.357 -7.191 1.00 0.00 N ATOM 933 CA GLN A3295 6.777 1.569 -8.373 1.00 0.00 C ATOM 934 C GLN A3295 5.607 0.635 -8.121 1.00 0.00 C ATOM 935 O GLN A3295 4.672 0.533 -8.907 1.00 0.00 O ATOM 936 CB GLN A3295 8.054 0.777 -8.668 1.00 0.00 C ATOM 937 CG GLN A3295 9.233 1.715 -8.930 1.00 0.00 C ATOM 938 CD GLN A3295 9.843 2.422 -7.717 1.00 0.00 C ATOM 939 OE1 GLN A3295 9.907 1.897 -6.611 1.00 0.00 O ATOM 940 NE2 GLN A3295 10.182 3.692 -7.847 1.00 0.00 N ATOM 0 H GLN A3295 7.993 2.229 -6.862 1.00 0.00 H new ATOM 0 HA GLN A3295 6.516 2.199 -9.223 1.00 0.00 H new ATOM 0 HB2 GLN A3295 8.284 0.125 -7.826 1.00 0.00 H new ATOM 0 HB3 GLN A3295 7.896 0.135 -9.535 1.00 0.00 H new ATOM 0 HG2 GLN A3295 10.020 1.141 -9.418 1.00 0.00 H new ATOM 0 HG3 GLN A3295 8.908 2.477 -9.638 1.00 0.00 H new ATOM 0 HE21 GLN A3295 10.134 4.142 -8.761 1.00 0.00 H new ATOM 0 HE22 GLN A3295 10.492 4.223 -7.033 1.00 0.00 H new ATOM 949 N ASP A3296 5.698 -0.062 -7.002 1.00 0.00 N ATOM 950 CA ASP A3296 4.676 -0.997 -6.542 1.00 0.00 C ATOM 951 C ASP A3296 3.521 -0.258 -5.884 1.00 0.00 C ATOM 952 O ASP A3296 2.376 -0.653 -6.035 1.00 0.00 O ATOM 953 CB ASP A3296 5.224 -1.986 -5.515 1.00 0.00 C ATOM 954 CG ASP A3296 6.081 -3.062 -6.150 1.00 0.00 C ATOM 955 OD1 ASP A3296 5.517 -4.042 -6.676 1.00 0.00 O ATOM 956 OD2 ASP A3296 7.320 -2.975 -6.003 1.00 0.00 O ATOM 0 H ASP A3296 6.498 0.005 -6.373 1.00 0.00 H new ATOM 0 HA ASP A3296 4.340 -1.535 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A3296 5.813 -1.447 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A3296 4.394 -2.452 -4.985 1.00 0.00 H new ATOM 961 N ILE A3297 3.805 0.811 -5.145 1.00 0.00 N ATOM 962 CA ILE A3297 2.841 1.631 -4.423 1.00 0.00 C ATOM 963 C ILE A3297 1.741 2.106 -5.371 1.00 0.00 C ATOM 964 O ILE A3297 0.563 2.048 -5.010 1.00 0.00 O ATOM 965 CB ILE A3297 3.603 2.788 -3.705 1.00 0.00 C ATOM 966 CG1 ILE A3297 3.760 2.600 -2.178 1.00 0.00 C ATOM 967 CG2 ILE A3297 3.032 4.181 -4.019 1.00 0.00 C ATOM 968 CD1 ILE A3297 4.410 1.259 -1.823 1.00 0.00 C ATOM 0 H ILE A3297 4.762 1.144 -5.029 1.00 0.00 H new ATOM 0 HA ILE A3297 2.334 1.054 -3.650 1.00 0.00 H new ATOM 0 HB ILE A3297 4.604 2.732 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A3297 4.364 3.413 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A3297 2.781 2.664 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A3297 3.608 4.939 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A3297 3.092 4.365 -5.092 1.00 0.00 H new ATOM 0 HG23 ILE A3297 1.991 4.228 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A3297 4.499 1.173 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A3297 3.793 0.444 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A3297 5.401 1.204 -2.274 1.00 0.00 H new ATOM 980 N GLU A3298 2.119 2.589 -6.555 1.00 0.00 N ATOM 981 CA GLU A3298 1.153 3.077 -7.520 1.00 0.00 C ATOM 982 C GLU A3298 0.313 1.910 -8.027 1.00 0.00 C ATOM 983 O GLU A3298 -0.878 2.051 -8.252 1.00 0.00 O ATOM 984 CB GLU A3298 1.828 3.840 -8.674 1.00 0.00 C ATOM 985 CG GLU A3298 2.908 3.044 -9.421 1.00 0.00 C ATOM 986 CD GLU A3298 2.855 3.186 -10.938 1.00 0.00 C ATOM 987 OE1 GLU A3298 3.907 3.486 -11.551 1.00 0.00 O ATOM 988 OE2 GLU A3298 1.810 2.913 -11.559 1.00 0.00 O ATOM 0 H GLU A3298 3.090 2.650 -6.862 1.00 0.00 H new ATOM 0 HA GLU A3298 0.497 3.795 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A3298 1.062 4.146 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A3298 2.276 4.751 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A3298 3.888 3.368 -9.071 1.00 0.00 H new ATOM 0 HG3 GLU A3298 2.810 1.990 -9.163 1.00 0.00 H new ATOM 995 N SER A3299 0.905 0.737 -8.179 1.00 0.00 N ATOM 996 CA SER A3299 0.238 -0.442 -8.683 1.00 0.00 C ATOM 997 C SER A3299 -0.745 -1.010 -7.656 1.00 0.00 C ATOM 998 O SER A3299 -1.836 -1.459 -8.015 1.00 0.00 O ATOM 999 CB SER A3299 1.347 -1.369 -9.159 1.00 0.00 C ATOM 1000 OG SER A3299 1.943 -0.765 -10.303 1.00 0.00 O ATOM 0 H SER A3299 1.886 0.579 -7.949 1.00 0.00 H new ATOM 0 HA SER A3299 -0.419 -0.245 -9.530 1.00 0.00 H new ATOM 0 HB2 SER A3299 2.088 -1.517 -8.373 1.00 0.00 H new ATOM 0 HB3 SER A3299 0.946 -2.351 -9.408 1.00 0.00 H new ATOM 0 HG SER A3299 2.788 -0.341 -10.046 1.00 0.00 H new ATOM 1006 N VAL A3300 -0.409 -0.910 -6.375 1.00 0.00 N ATOM 1007 CA VAL A3300 -1.237 -1.364 -5.275 1.00 0.00 C ATOM 1008 C VAL A3300 -2.424 -0.401 -5.184 1.00 0.00 C ATOM 1009 O VAL A3300 -3.576 -0.826 -5.138 1.00 0.00 O ATOM 1010 CB VAL A3300 -0.371 -1.398 -3.998 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -1.193 -1.558 -2.715 1.00 0.00 C ATOM 1012 CG2 VAL A3300 0.641 -2.550 -4.075 1.00 0.00 C ATOM 0 H VAL A3300 0.473 -0.499 -6.069 1.00 0.00 H new ATOM 0 HA VAL A3300 -1.628 -2.372 -5.415 1.00 0.00 H new ATOM 0 HB VAL A3300 0.136 -0.434 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -0.524 -1.575 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -1.886 -0.722 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -1.754 -2.491 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A3300 1.246 -2.564 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A3300 0.109 -3.496 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A3300 1.288 -2.409 -4.941 1.00 0.00 H new ATOM 1022 N GLN A3301 -2.175 0.913 -5.161 1.00 0.00 N ATOM 1023 CA GLN A3301 -3.270 1.875 -5.066 1.00 0.00 C ATOM 1024 C GLN A3301 -4.139 1.855 -6.320 1.00 0.00 C ATOM 1025 O GLN A3301 -5.336 2.099 -6.189 1.00 0.00 O ATOM 1026 CB GLN A3301 -2.761 3.278 -4.708 1.00 0.00 C ATOM 1027 CG GLN A3301 -1.963 3.981 -5.820 1.00 0.00 C ATOM 1028 CD GLN A3301 -2.725 4.770 -6.889 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -2.129 5.342 -7.801 1.00 0.00 O ATOM 1030 NE2 GLN A3301 -4.042 4.769 -6.856 1.00 0.00 N ATOM 0 H GLN A3301 -1.243 1.325 -5.206 1.00 0.00 H new ATOM 0 HA GLN A3301 -3.915 1.569 -4.242 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -3.615 3.902 -4.444 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -2.133 3.205 -3.820 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -1.263 4.665 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -1.369 3.222 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -4.533 4.294 -6.099 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -4.571 5.243 -7.588 1.00 0.00 H new ATOM 1039 N LYS A3302 -3.570 1.572 -7.501 1.00 0.00 N ATOM 1040 CA LYS A3302 -4.296 1.503 -8.769 1.00 0.00 C ATOM 1041 C LYS A3302 -5.395 0.447 -8.683 1.00 0.00 C ATOM 1042 O LYS A3302 -6.418 0.583 -9.351 1.00 0.00 O ATOM 1043 CB LYS A3302 -3.327 1.195 -9.925 1.00 0.00 C ATOM 1044 CG LYS A3302 -2.757 2.471 -10.571 1.00 0.00 C ATOM 1045 CD LYS A3302 -1.394 2.330 -11.282 1.00 0.00 C ATOM 1046 CE LYS A3302 -1.149 1.036 -12.066 1.00 0.00 C ATOM 1047 NZ LYS A3302 0.303 0.798 -12.242 1.00 0.00 N ATOM 0 H LYS A3302 -2.573 1.382 -7.599 1.00 0.00 H new ATOM 0 HA LYS A3302 -4.760 2.469 -8.966 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -2.506 0.582 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -3.846 0.608 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -3.483 2.841 -11.295 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -2.661 3.233 -9.797 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -1.282 3.169 -11.969 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -0.609 2.425 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -1.599 0.195 -11.539 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -1.633 1.098 -13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 0.471 0.341 -13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 0.810 1.705 -12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 0.648 0.181 -11.480 1.00 0.00 H new ATOM 1061 N GLU A3303 -5.196 -0.581 -7.856 1.00 0.00 N ATOM 1062 CA GLU A3303 -6.209 -1.626 -7.704 1.00 0.00 C ATOM 1063 C GLU A3303 -7.381 -1.065 -6.888 1.00 0.00 C ATOM 1064 O GLU A3303 -8.546 -1.132 -7.266 1.00 0.00 O ATOM 1065 CB GLU A3303 -5.595 -2.946 -7.152 1.00 0.00 C ATOM 1066 CG GLU A3303 -5.904 -3.306 -5.686 1.00 0.00 C ATOM 1067 CD GLU A3303 -5.279 -4.621 -5.191 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -5.537 -5.682 -5.806 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -4.572 -4.622 -4.153 1.00 0.00 O ATOM 0 H GLU A3303 -4.357 -0.712 -7.290 1.00 0.00 H new ATOM 0 HA GLU A3303 -6.610 -1.914 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -5.938 -3.767 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -4.512 -2.888 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -5.556 -2.494 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -6.985 -3.367 -5.563 1.00 0.00 H new ATOM 1076 N LEU A3304 -7.063 -0.407 -5.782 1.00 0.00 N ATOM 1077 CA LEU A3304 -8.005 0.155 -4.839 1.00 0.00 C ATOM 1078 C LEU A3304 -8.821 1.339 -5.329 1.00 0.00 C ATOM 1079 O LEU A3304 -9.959 1.504 -4.900 1.00 0.00 O ATOM 1080 CB LEU A3304 -7.194 0.581 -3.617 1.00 0.00 C ATOM 1081 CG LEU A3304 -6.404 -0.561 -2.953 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -5.557 -0.006 -1.827 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -7.239 -1.735 -2.456 1.00 0.00 C ATOM 0 H LEU A3304 -6.093 -0.246 -5.510 1.00 0.00 H new ATOM 0 HA LEU A3304 -8.748 -0.617 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -6.497 1.365 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -7.870 1.016 -2.881 1.00 0.00 H new ATOM 0 HG LEU A3304 -5.782 -0.980 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -4.999 -0.816 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -4.860 0.732 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -6.201 0.467 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -6.585 -2.482 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -7.954 -1.384 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -7.776 -2.180 -3.294 1.00 0.00 H new ATOM 1095 N GLU A3305 -8.266 2.191 -6.182 1.00 0.00 N ATOM 1096 CA GLU A3305 -8.988 3.355 -6.700 1.00 0.00 C ATOM 1097 C GLU A3305 -10.197 2.962 -7.557 1.00 0.00 C ATOM 1098 O GLU A3305 -11.009 3.835 -7.862 1.00 0.00 O ATOM 1099 CB GLU A3305 -8.052 4.300 -7.472 1.00 0.00 C ATOM 1100 CG GLU A3305 -7.334 3.543 -8.590 1.00 0.00 C ATOM 1101 CD GLU A3305 -6.483 4.446 -9.498 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -6.592 4.373 -10.746 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -5.677 5.258 -8.989 1.00 0.00 O ATOM 0 H GLU A3305 -7.313 2.100 -6.534 1.00 0.00 H new ATOM 0 HA GLU A3305 -9.372 3.891 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -8.625 5.126 -7.893 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -7.321 4.735 -6.790 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -6.693 2.780 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -8.074 3.024 -9.199 1.00 0.00 H new ATOM 1110 N ASN A3306 -10.304 1.696 -7.981 1.00 0.00 N ATOM 1111 CA ASN A3306 -11.418 1.194 -8.784 1.00 0.00 C ATOM 1112 C ASN A3306 -12.254 0.161 -8.021 1.00 0.00 C ATOM 1113 O ASN A3306 -13.138 -0.470 -8.614 1.00 0.00 O ATOM 1114 CB ASN A3306 -10.967 0.753 -10.185 1.00 0.00 C ATOM 1115 CG ASN A3306 -10.271 -0.597 -10.251 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -10.897 -1.634 -10.433 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -8.958 -0.621 -10.170 1.00 0.00 N ATOM 0 H ASN A3306 -9.606 0.983 -7.770 1.00 0.00 H new ATOM 0 HA ASN A3306 -12.102 2.023 -8.966 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -11.840 0.725 -10.837 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -10.293 1.510 -10.586 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -8.458 -1.505 -10.259 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -8.440 0.245 -10.018 1.00 0.00 H new ATOM 1124 N LEU A3307 -11.975 -0.049 -6.726 1.00 0.00 N ATOM 1125 CA LEU A3307 -12.736 -0.999 -5.907 1.00 0.00 C ATOM 1126 C LEU A3307 -13.867 -0.279 -5.169 1.00 0.00 C ATOM 1127 O LEU A3307 -13.793 0.934 -4.972 1.00 0.00 O ATOM 1128 CB LEU A3307 -11.822 -1.714 -4.889 1.00 0.00 C ATOM 1129 CG LEU A3307 -11.452 -3.196 -5.135 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -12.298 -3.928 -6.171 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -10.009 -3.424 -5.544 1.00 0.00 C ATOM 0 H LEU A3307 -11.226 0.428 -6.224 1.00 0.00 H new ATOM 0 HA LEU A3307 -13.161 -1.748 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -10.893 -1.148 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -12.302 -1.651 -3.913 1.00 0.00 H new ATOM 0 HG LEU A3307 -11.649 -3.607 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -11.951 -4.957 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -13.342 -3.923 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -12.206 -3.428 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -9.838 -4.490 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -9.805 -2.888 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -9.346 -3.058 -4.760 1.00 0.00 H new ATOM 1143 N SER A3308 -14.897 -1.032 -4.767 1.00 0.00 N ATOM 1144 CA SER A3308 -16.078 -0.569 -4.030 1.00 0.00 C ATOM 1145 C SER A3308 -15.814 -0.566 -2.523 1.00 0.00 C ATOM 1146 O SER A3308 -14.817 -1.118 -2.066 1.00 0.00 O ATOM 1147 CB SER A3308 -17.257 -1.493 -4.356 1.00 0.00 C ATOM 1148 OG SER A3308 -17.522 -1.465 -5.745 1.00 0.00 O ATOM 0 H SER A3308 -14.931 -2.034 -4.957 1.00 0.00 H new ATOM 0 HA SER A3308 -16.310 0.453 -4.331 1.00 0.00 H new ATOM 0 HB2 SER A3308 -17.030 -2.511 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A3308 -18.141 -1.178 -3.802 1.00 0.00 H new ATOM 0 HG SER A3308 -18.275 -2.059 -5.946 1.00 0.00 H new ATOM 1154 N GLU A3309 -16.701 0.029 -1.717 1.00 0.00 N ATOM 1155 CA GLU A3309 -16.561 0.087 -0.274 1.00 0.00 C ATOM 1156 C GLU A3309 -16.492 -1.315 0.244 1.00 0.00 C ATOM 1157 O GLU A3309 -15.507 -1.624 0.868 1.00 0.00 O ATOM 1158 CB GLU A3309 -17.797 0.757 0.367 1.00 0.00 C ATOM 1159 CG GLU A3309 -17.603 2.188 0.860 1.00 0.00 C ATOM 1160 CD GLU A3309 -18.913 2.953 1.128 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -20.022 2.393 0.951 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -18.852 4.115 1.597 1.00 0.00 O ATOM 0 H GLU A3309 -17.544 0.487 -2.062 1.00 0.00 H new ATOM 0 HA GLU A3309 -15.666 0.659 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -18.607 0.752 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -18.122 0.145 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -17.015 2.166 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -17.020 2.738 0.121 1.00 0.00 H new ATOM 1169 N GLU A3310 -17.422 -2.188 -0.099 1.00 0.00 N ATOM 1170 CA GLU A3310 -17.442 -3.547 0.399 1.00 0.00 C ATOM 1171 C GLU A3310 -16.117 -4.263 0.186 1.00 0.00 C ATOM 1172 O GLU A3310 -15.852 -5.235 0.868 1.00 0.00 O ATOM 1173 CB GLU A3310 -18.555 -4.331 -0.283 1.00 0.00 C ATOM 1174 CG GLU A3310 -19.948 -3.701 -0.175 1.00 0.00 C ATOM 1175 CD GLU A3310 -20.998 -4.679 -0.703 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -22.072 -4.835 -0.081 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -20.745 -5.312 -1.754 1.00 0.00 O ATOM 0 H GLU A3310 -18.189 -1.970 -0.735 1.00 0.00 H new ATOM 0 HA GLU A3310 -17.619 -3.493 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -18.305 -4.446 -1.338 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -18.591 -5.332 0.147 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -20.163 -3.447 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -19.983 -2.772 -0.745 1.00 0.00 H new ATOM 1184 N GLU A3311 -15.361 -3.900 -0.842 1.00 0.00 N ATOM 1185 CA GLU A3311 -14.083 -4.499 -1.122 1.00 0.00 C ATOM 1186 C GLU A3311 -13.010 -3.904 -0.216 1.00 0.00 C ATOM 1187 O GLU A3311 -12.216 -4.614 0.391 1.00 0.00 O ATOM 1188 CB GLU A3311 -13.743 -4.221 -2.587 1.00 0.00 C ATOM 1189 CG GLU A3311 -14.727 -4.839 -3.581 1.00 0.00 C ATOM 1190 CD GLU A3311 -14.224 -6.188 -4.097 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -13.769 -7.037 -3.288 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -14.177 -6.375 -5.331 1.00 0.00 O ATOM 0 H GLU A3311 -15.629 -3.173 -1.506 1.00 0.00 H new ATOM 0 HA GLU A3311 -14.124 -5.573 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -13.712 -3.143 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -12.743 -4.602 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -15.697 -4.970 -3.102 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -14.875 -4.159 -4.420 1.00 0.00 H new ATOM 1199 N LEU A3312 -12.932 -2.573 -0.164 1.00 0.00 N ATOM 1200 CA LEU A3312 -11.936 -1.840 0.613 1.00 0.00 C ATOM 1201 C LEU A3312 -12.226 -1.827 2.108 1.00 0.00 C ATOM 1202 O LEU A3312 -11.368 -2.138 2.933 1.00 0.00 O ATOM 1203 CB LEU A3312 -11.840 -0.384 0.131 1.00 0.00 C ATOM 1204 CG LEU A3312 -11.810 -0.191 -1.392 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -12.501 1.117 -1.752 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -10.394 -0.352 -1.928 1.00 0.00 C ATOM 0 H LEU A3312 -13.573 -1.964 -0.672 1.00 0.00 H new ATOM 0 HA LEU A3312 -10.995 -2.367 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -12.688 0.170 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -10.939 0.061 0.554 1.00 0.00 H new ATOM 0 HG LEU A3312 -12.379 -0.973 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -12.480 1.254 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -13.536 1.088 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -11.983 1.947 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -10.396 -0.211 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -9.744 0.391 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -10.027 -1.351 -1.693 1.00 0.00 H new ATOM 1218 N LEU A3313 -13.440 -1.407 2.448 1.00 0.00 N ATOM 1219 CA LEU A3313 -14.017 -1.296 3.771 1.00 0.00 C ATOM 1220 C LEU A3313 -13.879 -2.657 4.425 1.00 0.00 C ATOM 1221 O LEU A3313 -13.488 -2.727 5.587 1.00 0.00 O ATOM 1222 CB LEU A3313 -15.481 -0.792 3.657 1.00 0.00 C ATOM 1223 CG LEU A3313 -16.295 -0.714 4.969 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -16.917 -2.059 5.365 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -15.553 -0.099 6.155 1.00 0.00 C ATOM 0 H LEU A3313 -14.102 -1.109 1.732 1.00 0.00 H new ATOM 0 HA LEU A3313 -13.506 -0.564 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -15.465 0.201 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -16.013 -1.446 2.966 1.00 0.00 H new ATOM 0 HG LEU A3313 -17.098 -0.019 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -17.476 -1.942 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -17.590 -2.395 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -16.128 -2.797 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -16.207 -0.089 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -14.664 -0.691 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -15.258 0.921 5.910 1.00 0.00 H new ATOM 1237 N ALA A3314 -14.109 -3.740 3.682 1.00 0.00 N ATOM 1238 CA ALA A3314 -13.989 -5.056 4.282 1.00 0.00 C ATOM 1239 C ALA A3314 -12.540 -5.380 4.683 1.00 0.00 C ATOM 1240 O ALA A3314 -12.306 -6.110 5.641 1.00 0.00 O ATOM 1241 CB ALA A3314 -14.502 -6.104 3.300 1.00 0.00 C ATOM 0 H ALA A3314 -14.371 -3.730 2.696 1.00 0.00 H new ATOM 0 HA ALA A3314 -14.587 -5.066 5.193 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -14.414 -7.095 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -15.548 -5.903 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -13.912 -6.065 2.385 1.00 0.00 H new ATOM 1247 N MET A3315 -11.540 -4.809 4.007 1.00 0.00 N ATOM 1248 CA MET A3315 -10.130 -5.084 4.305 1.00 0.00 C ATOM 1249 C MET A3315 -9.678 -4.343 5.551 1.00 0.00 C ATOM 1250 O MET A3315 -9.157 -4.929 6.499 1.00 0.00 O ATOM 1251 CB MET A3315 -9.225 -4.630 3.159 1.00 0.00 C ATOM 1252 CG MET A3315 -9.686 -5.114 1.796 1.00 0.00 C ATOM 1253 SD MET A3315 -8.593 -6.321 1.002 1.00 0.00 S ATOM 1254 CE MET A3315 -9.132 -7.845 1.828 1.00 0.00 C ATOM 0 H MET A3315 -11.682 -4.148 3.243 1.00 0.00 H new ATOM 0 HA MET A3315 -10.051 -6.161 4.451 1.00 0.00 H new ATOM 0 HB2 MET A3315 -9.179 -3.541 3.153 1.00 0.00 H new ATOM 0 HB3 MET A3315 -8.213 -4.991 3.341 1.00 0.00 H new ATOM 0 HG2 MET A3315 -10.677 -5.557 1.900 1.00 0.00 H new ATOM 0 HG3 MET A3315 -9.790 -4.252 1.137 1.00 0.00 H new ATOM 0 HE1 MET A3315 -8.554 -8.688 1.450 1.00 0.00 H new ATOM 0 HE2 MET A3315 -8.976 -7.751 2.903 1.00 0.00 H new ATOM 0 HE3 MET A3315 -10.190 -8.012 1.628 1.00 0.00 H new ATOM 1264 N LEU A3316 -9.863 -3.021 5.525 1.00 0.00 N ATOM 1265 CA LEU A3316 -9.495 -2.131 6.606 1.00 0.00 C ATOM 1266 C LEU A3316 -10.233 -2.487 7.883 1.00 0.00 C ATOM 1267 O LEU A3316 -9.592 -2.462 8.930 1.00 0.00 O ATOM 1268 CB LEU A3316 -9.677 -0.655 6.224 1.00 0.00 C ATOM 1269 CG LEU A3316 -11.099 -0.287 5.749 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -11.978 0.274 6.878 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -11.039 0.809 4.690 1.00 0.00 C ATOM 0 H LEU A3316 -10.283 -2.538 4.730 1.00 0.00 H new ATOM 0 HA LEU A3316 -8.431 -2.270 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -9.424 -0.036 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -8.968 -0.407 5.434 1.00 0.00 H new ATOM 0 HG LEU A3316 -11.525 -1.215 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -12.966 0.515 6.485 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.074 -0.470 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -11.519 1.176 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -12.050 1.057 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -10.565 1.696 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -10.459 0.458 3.836 1.00 0.00 H new ATOM 1283 N ASN A3317 -11.516 -2.841 7.781 1.00 0.00 N ATOM 1284 CA ASN A3317 -12.338 -3.184 8.936 1.00 0.00 C ATOM 1285 C ASN A3317 -12.147 -4.622 9.392 1.00 0.00 C ATOM 1286 O ASN A3317 -12.312 -4.919 10.575 1.00 0.00 O ATOM 1287 CB ASN A3317 -13.825 -3.022 8.584 1.00 0.00 C ATOM 1288 CG ASN A3317 -14.629 -2.801 9.846 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -14.999 -3.715 10.577 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -14.873 -1.545 10.140 1.00 0.00 N ATOM 0 H ASN A3317 -12.012 -2.897 6.892 1.00 0.00 H new ATOM 0 HA ASN A3317 -12.029 -2.512 9.737 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -13.958 -2.180 7.905 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -14.184 -3.910 8.064 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -15.381 -1.310 10.993 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -14.555 -0.804 9.516 1.00 0.00 H new ATOM 1297 N GLY A3318 -11.749 -5.485 8.460 1.00 0.00 N ATOM 1298 CA GLY A3318 -11.557 -6.905 8.721 1.00 0.00 C ATOM 1299 C GLY A3318 -12.946 -7.530 8.797 1.00 0.00 C ATOM 1300 O GLY A3318 -13.365 -7.995 9.856 1.00 0.00 O ATOM 0 H GLY A3318 -11.550 -5.214 7.497 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -10.968 -7.367 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -11.013 -7.057 9.653 1.00 0.00 H new