USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 7 THR OG1 : rot 131:sc= 1.28 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.27 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -72:sc= 0.618 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -3.21! C(o=-3.2!,f=-6.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.355 K(o=-0.35,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.909 K(o=0.91,f=-7.6!) USER MOD Single : A 41 GLN : amide:sc= -0.66 K(o=-0.66,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -170:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.11) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -130:sc= 0.00186 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.041 -8.181 -1.788 1.00 0.00 N ATOM 2 CA MET A 1 11.503 -8.556 -3.105 1.00 0.00 C ATOM 3 C MET A 1 10.045 -8.134 -3.233 1.00 0.00 C ATOM 4 O MET A 1 9.681 -7.443 -4.183 1.00 0.00 O ATOM 5 CB MET A 1 11.642 -10.060 -3.334 1.00 0.00 C ATOM 6 CG MET A 1 11.187 -10.409 -4.750 1.00 0.00 C ATOM 7 SD MET A 1 11.228 -12.181 -5.117 1.00 0.00 S ATOM 8 CE MET A 1 12.952 -12.320 -5.648 1.00 0.00 C ATOM 0 H1 MET A 1 13.049 -8.432 -1.741 1.00 0.00 H new ATOM 0 H2 MET A 1 11.932 -7.156 -1.647 1.00 0.00 H new ATOM 0 H3 MET A 1 11.522 -8.689 -1.044 1.00 0.00 H new ATOM 0 HA MET A 1 12.080 -8.034 -3.868 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.678 -10.366 -3.189 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.044 -10.606 -2.604 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.171 -10.041 -4.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.822 -9.885 -5.465 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.167 -13.354 -5.918 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.120 -11.677 -6.512 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.609 -12.013 -4.834 1.00 0.00 H new ATOM 18 N GLN A 2 9.208 -8.558 -2.281 1.00 0.00 N ATOM 19 CA GLN A 2 7.785 -8.272 -2.313 1.00 0.00 C ATOM 20 C GLN A 2 7.351 -7.687 -0.976 1.00 0.00 C ATOM 21 O GLN A 2 8.136 -7.637 -0.031 1.00 0.00 O ATOM 22 CB GLN A 2 7.020 -9.568 -2.585 1.00 0.00 C ATOM 23 CG GLN A 2 7.190 -10.005 -4.038 1.00 0.00 C ATOM 24 CD GLN A 2 6.525 -11.356 -4.273 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.719 -12.288 -3.495 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.735 -11.462 -5.342 1.00 0.00 N ATOM 0 H GLN A 2 9.504 -9.106 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 2 7.572 -7.551 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.379 -10.354 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.962 -9.424 -2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.753 -9.258 -4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.250 -10.068 -4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.603 -10.661 -5.960 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.262 -12.344 -5.541 1.00 0.00 H new ATOM 35 N ILE A 3 6.076 -7.303 -0.882 1.00 0.00 N ATOM 36 CA ILE A 3 5.488 -6.832 0.359 1.00 0.00 C ATOM 37 C ILE A 3 4.097 -7.436 0.509 1.00 0.00 C ATOM 38 O ILE A 3 3.606 -8.095 -0.406 1.00 0.00 O ATOM 39 CB ILE A 3 5.429 -5.302 0.368 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.575 -4.799 -0.797 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.842 -4.733 0.257 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.430 -3.280 -0.723 1.00 0.00 C ATOM 0 H ILE A 3 5.427 -7.313 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 3 6.102 -7.145 1.203 1.00 0.00 H new ATOM 0 HB ILE A 3 4.978 -4.970 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.034 -5.083 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.592 -5.268 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.797 -3.644 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.440 -5.077 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.299 -5.072 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.820 -2.932 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.951 -3.006 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.416 -2.817 -0.776 1.00 0.00 H new ATOM 54 N PHE A 4 3.447 -7.183 1.647 1.00 0.00 N ATOM 55 CA PHE A 4 2.127 -7.724 1.908 1.00 0.00 C ATOM 56 C PHE A 4 1.205 -6.622 2.402 1.00 0.00 C ATOM 57 O PHE A 4 1.292 -6.202 3.554 1.00 0.00 O ATOM 58 CB PHE A 4 2.225 -8.852 2.932 1.00 0.00 C ATOM 59 CG PHE A 4 2.949 -10.071 2.411 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.237 -11.068 1.734 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.330 -10.204 2.605 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.904 -12.198 1.246 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.998 -11.334 2.115 1.00 0.00 C ATOM 64 CZ PHE A 4 4.285 -12.329 1.435 1.00 0.00 C ATOM 0 H PHE A 4 3.821 -6.605 2.399 1.00 0.00 H new ATOM 0 HA PHE A 4 1.712 -8.130 0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.740 -8.484 3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.221 -9.140 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.172 -10.965 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.879 -9.437 3.131 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.354 -12.967 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.063 -11.438 2.262 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.801 -13.199 1.056 1.00 0.00 H new ATOM 74 N VAL A 5 0.319 -6.154 1.522 1.00 0.00 N ATOM 75 CA VAL A 5 -0.641 -5.127 1.867 1.00 0.00 C ATOM 76 C VAL A 5 -1.944 -5.803 2.267 1.00 0.00 C ATOM 77 O VAL A 5 -2.575 -6.469 1.449 1.00 0.00 O ATOM 78 CB VAL A 5 -0.848 -4.203 0.666 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.815 -3.085 1.044 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.488 -3.591 0.248 1.00 0.00 C ATOM 0 H VAL A 5 0.254 -6.480 0.558 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.281 -4.524 2.701 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.258 -4.780 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.962 -2.427 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.772 -3.516 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.403 -2.513 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.335 -2.934 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.901 -3.017 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.183 -4.385 -0.024 1.00 0.00 H new ATOM 90 N LYS A 6 -2.326 -5.672 3.539 1.00 0.00 N ATOM 91 CA LYS A 6 -3.495 -6.356 4.055 1.00 0.00 C ATOM 92 C LYS A 6 -4.649 -5.377 4.207 1.00 0.00 C ATOM 93 O LYS A 6 -4.534 -4.382 4.921 1.00 0.00 O ATOM 94 CB LYS A 6 -3.139 -7.003 5.392 1.00 0.00 C ATOM 95 CG LYS A 6 -4.292 -7.878 5.877 1.00 0.00 C ATOM 96 CD LYS A 6 -3.888 -8.560 7.181 1.00 0.00 C ATOM 97 CE LYS A 6 -5.017 -9.471 7.653 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.663 -10.139 8.915 1.00 0.00 N ATOM 0 H LYS A 6 -1.837 -5.096 4.225 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.811 -7.133 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.236 -7.605 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.922 -6.232 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.185 -7.272 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.540 -8.625 5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.977 -9.140 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.669 -7.811 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.927 -8.887 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.229 -10.219 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.447 -10.753 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.807 -10.714 8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.484 -9.423 9.648 1.00 0.00 H new ATOM 112 N THR A 7 -5.756 -5.654 3.513 1.00 0.00 N ATOM 113 CA THR A 7 -6.936 -4.811 3.555 1.00 0.00 C ATOM 114 C THR A 7 -7.510 -4.792 4.966 1.00 0.00 C ATOM 115 O THR A 7 -7.119 -5.595 5.811 1.00 0.00 O ATOM 116 CB THR A 7 -7.981 -5.358 2.582 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.334 -6.663 2.977 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.428 -5.393 1.159 1.00 0.00 C ATOM 0 H THR A 7 -5.851 -6.470 2.909 1.00 0.00 H new ATOM 0 HA THR A 7 -6.665 -3.795 3.269 1.00 0.00 H new ATOM 0 HB THR A 7 -8.855 -4.707 2.599 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.310 -6.742 3.009 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.188 -5.785 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.154 -4.384 0.850 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.547 -6.034 1.127 1.00 0.00 H new ATOM 126 N ALA A 8 -8.498 -3.925 5.196 1.00 0.00 N ATOM 127 CA ALA A 8 -9.183 -3.869 6.473 1.00 0.00 C ATOM 128 C ALA A 8 -10.173 -5.025 6.579 1.00 0.00 C ATOM 129 O ALA A 8 -10.805 -5.202 7.619 1.00 0.00 O ATOM 130 CB ALA A 8 -9.908 -2.531 6.600 1.00 0.00 C ATOM 0 H ALA A 8 -8.837 -3.253 4.507 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.459 -3.958 7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.424 -2.486 7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.185 -1.718 6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.634 -2.432 5.793 1.00 0.00 H new ATOM 136 N THR A 9 -10.325 -5.797 5.498 1.00 0.00 N ATOM 137 CA THR A 9 -11.228 -6.934 5.483 1.00 0.00 C ATOM 138 C THR A 9 -10.459 -8.218 5.781 1.00 0.00 C ATOM 139 O THR A 9 -11.058 -9.284 5.905 1.00 0.00 O ATOM 140 CB THR A 9 -11.927 -7.021 4.126 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.971 -7.162 3.101 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.744 -5.753 3.882 1.00 0.00 C ATOM 0 H THR A 9 -9.827 -5.647 4.621 1.00 0.00 H new ATOM 0 HA THR A 9 -11.986 -6.803 6.256 1.00 0.00 H new ATOM 0 HB THR A 9 -12.589 -7.887 4.126 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.426 -7.218 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.240 -5.820 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.493 -5.646 4.667 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.083 -4.887 3.891 1.00 0.00 H new ATOM 150 N GLY A 10 -9.133 -8.113 5.908 1.00 0.00 N ATOM 151 CA GLY A 10 -8.298 -9.239 6.280 1.00 0.00 C ATOM 152 C GLY A 10 -7.655 -9.897 5.063 1.00 0.00 C ATOM 153 O GLY A 10 -6.819 -10.785 5.218 1.00 0.00 O ATOM 0 H GLY A 10 -8.618 -7.246 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.519 -8.903 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.898 -9.975 6.816 1.00 0.00 H new ATOM 157 N LYS A 11 -8.042 -9.483 3.853 1.00 0.00 N ATOM 158 CA LYS A 11 -7.464 -10.051 2.647 1.00 0.00 C ATOM 159 C LYS A 11 -6.046 -9.531 2.455 1.00 0.00 C ATOM 160 O LYS A 11 -5.847 -8.350 2.178 1.00 0.00 O ATOM 161 CB LYS A 11 -8.324 -9.703 1.433 1.00 0.00 C ATOM 162 CG LYS A 11 -9.642 -10.471 1.494 1.00 0.00 C ATOM 163 CD LYS A 11 -10.368 -10.336 0.157 1.00 0.00 C ATOM 164 CE LYS A 11 -11.657 -11.153 0.191 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.367 -11.074 -1.096 1.00 0.00 N ATOM 0 H LYS A 11 -8.746 -8.763 3.690 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.431 -11.136 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.518 -8.631 1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.791 -9.951 0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.454 -11.522 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.265 -10.083 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.594 -9.288 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.727 -10.683 -0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.426 -12.193 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.303 -10.787 0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.239 -11.638 -1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.606 -10.083 -1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.757 -11.446 -1.852 1.00 0.00 H new ATOM 179 N THR A 12 -5.060 -10.416 2.607 1.00 0.00 N ATOM 180 CA THR A 12 -3.673 -10.068 2.371 1.00 0.00 C ATOM 181 C THR A 12 -3.423 -10.010 0.869 1.00 0.00 C ATOM 182 O THR A 12 -3.935 -10.844 0.125 1.00 0.00 O ATOM 183 CB THR A 12 -2.771 -11.112 3.028 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.201 -11.341 4.352 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.327 -10.618 3.039 1.00 0.00 C ATOM 0 H THR A 12 -5.206 -11.384 2.895 1.00 0.00 H new ATOM 0 HA THR A 12 -3.450 -9.093 2.804 1.00 0.00 H new ATOM 0 HB THR A 12 -2.827 -12.041 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.623 -12.012 4.772 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.690 -11.367 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.993 -10.448 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.266 -9.686 3.601 1.00 0.00 H new ATOM 193 N ILE A 13 -2.639 -9.027 0.422 1.00 0.00 N ATOM 194 CA ILE A 13 -2.343 -8.862 -0.989 1.00 0.00 C ATOM 195 C ILE A 13 -0.837 -8.776 -1.197 1.00 0.00 C ATOM 196 O ILE A 13 -0.216 -7.776 -0.839 1.00 0.00 O ATOM 197 CB ILE A 13 -3.045 -7.611 -1.525 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.534 -7.654 -1.167 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.869 -7.544 -3.043 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.234 -6.382 -1.643 1.00 0.00 C ATOM 0 H ILE A 13 -2.199 -8.333 1.026 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.714 -9.725 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.604 -6.723 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.000 -8.526 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.652 -7.760 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.368 -6.655 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.807 -7.498 -3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.307 -8.432 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.291 -6.429 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.779 -5.515 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.132 -6.294 -2.725 1.00 0.00 H new ATOM 212 N THR A 14 -0.252 -9.824 -1.782 1.00 0.00 N ATOM 213 CA THR A 14 1.163 -9.836 -2.096 1.00 0.00 C ATOM 214 C THR A 14 1.419 -8.834 -3.213 1.00 0.00 C ATOM 215 O THR A 14 0.842 -8.951 -4.293 1.00 0.00 O ATOM 216 CB THR A 14 1.575 -11.245 -2.521 1.00 0.00 C ATOM 217 OG1 THR A 14 1.156 -12.172 -1.544 1.00 0.00 O ATOM 218 CG2 THR A 14 3.093 -11.317 -2.674 1.00 0.00 C ATOM 0 H THR A 14 -0.747 -10.676 -2.046 1.00 0.00 H new ATOM 0 HA THR A 14 1.754 -9.556 -1.224 1.00 0.00 H new ATOM 0 HB THR A 14 1.106 -11.484 -3.476 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.716 -12.081 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.381 -12.324 -2.977 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.417 -10.603 -3.432 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.566 -11.075 -1.722 1.00 0.00 H new ATOM 226 N LEU A 15 2.228 -7.809 -2.933 1.00 0.00 N ATOM 227 CA LEU A 15 2.471 -6.749 -3.892 1.00 0.00 C ATOM 228 C LEU A 15 3.962 -6.617 -4.178 1.00 0.00 C ATOM 229 O LEU A 15 4.791 -6.983 -3.348 1.00 0.00 O ATOM 230 CB LEU A 15 1.902 -5.444 -3.334 1.00 0.00 C ATOM 231 CG LEU A 15 1.561 -4.462 -4.454 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.371 -4.977 -5.263 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.202 -3.116 -3.830 1.00 0.00 C ATOM 0 H LEU A 15 2.722 -7.698 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 15 1.978 -6.984 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.007 -5.656 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.625 -4.990 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 15 2.419 -4.356 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.138 -4.269 -6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.619 -5.944 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.494 -5.086 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.956 -2.404 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.343 -3.238 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.050 -2.743 -3.256 1.00 0.00 H new ATOM 245 N GLU A 16 4.295 -6.053 -5.340 1.00 0.00 N ATOM 246 CA GLU A 16 5.670 -5.790 -5.719 1.00 0.00 C ATOM 247 C GLU A 16 5.751 -4.410 -6.357 1.00 0.00 C ATOM 248 O GLU A 16 5.087 -4.154 -7.359 1.00 0.00 O ATOM 249 CB GLU A 16 6.156 -6.871 -6.682 1.00 0.00 C ATOM 250 CG GLU A 16 7.619 -6.611 -7.036 1.00 0.00 C ATOM 251 CD GLU A 16 8.168 -7.680 -7.974 1.00 0.00 C ATOM 252 OE1 GLU A 16 7.402 -8.616 -8.290 1.00 0.00 O ATOM 253 OE2 GLU A 16 9.345 -7.531 -8.370 1.00 0.00 O ATOM 0 H GLU A 16 3.612 -5.768 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 16 6.313 -5.809 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.050 -7.855 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.546 -6.871 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.712 -5.632 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.216 -6.585 -6.124 1.00 0.00 H new ATOM 260 N VAL A 17 6.535 -3.510 -5.759 1.00 0.00 N ATOM 261 CA VAL A 17 6.649 -2.152 -6.266 1.00 0.00 C ATOM 262 C VAL A 17 8.111 -1.772 -6.461 1.00 0.00 C ATOM 263 O VAL A 17 9.002 -2.404 -5.897 1.00 0.00 O ATOM 264 CB VAL A 17 5.969 -1.189 -5.292 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.483 -1.520 -5.189 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.609 -1.304 -3.908 1.00 0.00 C ATOM 0 H VAL A 17 7.095 -3.701 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 17 6.155 -2.090 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 17 6.091 -0.171 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.004 -0.831 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.020 -1.425 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.362 -2.541 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.118 -0.614 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.498 -2.324 -3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.668 -1.056 -3.975 1.00 0.00 H new ATOM 276 N GLU A 18 8.346 -0.682 -7.197 1.00 0.00 N ATOM 277 CA GLU A 18 9.680 -0.154 -7.399 1.00 0.00 C ATOM 278 C GLU A 18 9.950 0.895 -6.322 1.00 0.00 C ATOM 279 O GLU A 18 9.086 1.722 -6.041 1.00 0.00 O ATOM 280 CB GLU A 18 9.791 0.462 -8.796 1.00 0.00 C ATOM 281 CG GLU A 18 9.671 -0.613 -9.881 1.00 0.00 C ATOM 282 CD GLU A 18 8.236 -0.775 -10.379 1.00 0.00 C ATOM 283 OE1 GLU A 18 7.367 -1.096 -9.540 1.00 0.00 O ATOM 284 OE2 GLU A 18 8.061 -0.721 -11.616 1.00 0.00 O ATOM 0 H GLU A 18 7.613 -0.149 -7.664 1.00 0.00 H new ATOM 0 HA GLU A 18 10.419 -0.952 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.009 1.209 -8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.746 0.979 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.317 -0.354 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.026 -1.565 -9.487 1.00 0.00 H new ATOM 291 N PRO A 19 11.148 0.874 -5.726 1.00 0.00 N ATOM 292 CA PRO A 19 11.501 1.732 -4.613 1.00 0.00 C ATOM 293 C PRO A 19 11.317 3.216 -4.919 1.00 0.00 C ATOM 294 O PRO A 19 10.762 3.948 -4.101 1.00 0.00 O ATOM 295 CB PRO A 19 12.969 1.427 -4.312 1.00 0.00 C ATOM 296 CG PRO A 19 13.193 0.022 -4.872 1.00 0.00 C ATOM 297 CD PRO A 19 12.185 -0.094 -6.013 1.00 0.00 C ATOM 0 HA PRO A 19 10.846 1.533 -3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.630 2.153 -4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.170 1.464 -3.241 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.215 -0.106 -5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.023 -0.741 -4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.657 0.112 -6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.774 -1.102 -6.070 1.00 0.00 H new ATOM 305 N SER A 20 11.792 3.666 -6.083 1.00 0.00 N ATOM 306 CA SER A 20 11.820 5.085 -6.394 1.00 0.00 C ATOM 307 C SER A 20 10.561 5.524 -7.132 1.00 0.00 C ATOM 308 O SER A 20 10.486 6.660 -7.597 1.00 0.00 O ATOM 309 CB SER A 20 13.058 5.391 -7.234 1.00 0.00 C ATOM 310 OG SER A 20 14.217 5.001 -6.531 1.00 0.00 O ATOM 0 H SER A 20 12.160 3.065 -6.820 1.00 0.00 H new ATOM 0 HA SER A 20 11.860 5.642 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.003 4.863 -8.186 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.100 6.456 -7.462 1.00 0.00 H new ATOM 0 HG SER A 20 15.010 5.197 -7.073 1.00 0.00 H new ATOM 316 N ASP A 21 9.571 4.637 -7.249 1.00 0.00 N ATOM 317 CA ASP A 21 8.330 4.991 -7.916 1.00 0.00 C ATOM 318 C ASP A 21 7.390 5.661 -6.918 1.00 0.00 C ATOM 319 O ASP A 21 6.282 6.052 -7.278 1.00 0.00 O ATOM 320 CB ASP A 21 7.685 3.743 -8.514 1.00 0.00 C ATOM 321 CG ASP A 21 8.255 3.440 -9.895 1.00 0.00 C ATOM 322 OD1 ASP A 21 7.541 2.762 -10.665 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.391 3.890 -10.158 1.00 0.00 O ATOM 0 H ASP A 21 9.609 3.682 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 21 8.537 5.690 -8.727 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.851 2.892 -7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.607 3.886 -8.585 1.00 0.00 H new ATOM 328 N THR A 22 7.853 5.808 -5.672 1.00 0.00 N ATOM 329 CA THR A 22 7.133 6.495 -4.612 1.00 0.00 C ATOM 330 C THR A 22 6.025 5.607 -4.052 1.00 0.00 C ATOM 331 O THR A 22 5.588 4.662 -4.705 1.00 0.00 O ATOM 332 CB THR A 22 6.579 7.823 -5.141 1.00 0.00 C ATOM 333 OG1 THR A 22 7.606 8.526 -5.806 1.00 0.00 O ATOM 334 CG2 THR A 22 6.063 8.682 -3.990 1.00 0.00 C ATOM 0 H THR A 22 8.757 5.443 -5.374 1.00 0.00 H new ATOM 0 HA THR A 22 7.819 6.713 -3.793 1.00 0.00 H new ATOM 0 HB THR A 22 5.759 7.610 -5.827 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.254 9.375 -6.147 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.673 9.621 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.268 8.150 -3.467 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.878 8.889 -3.297 1.00 0.00 H new ATOM 342 N ILE A 23 5.555 5.936 -2.845 1.00 0.00 N ATOM 343 CA ILE A 23 4.482 5.209 -2.184 1.00 0.00 C ATOM 344 C ILE A 23 3.264 5.104 -3.095 1.00 0.00 C ATOM 345 O ILE A 23 2.493 4.153 -2.983 1.00 0.00 O ATOM 346 CB ILE A 23 4.121 5.929 -0.880 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.258 5.789 0.135 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.829 5.359 -0.291 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.354 4.358 0.664 1.00 0.00 C ATOM 0 H ILE A 23 5.915 6.720 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 23 4.816 4.196 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 23 3.969 6.985 -1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.202 6.071 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.095 6.476 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.589 5.883 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.015 5.490 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.961 4.297 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.171 4.290 1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.418 4.087 1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.542 3.676 -0.165 1.00 0.00 H new ATOM 361 N GLU A 24 3.073 6.080 -3.985 1.00 0.00 N ATOM 362 CA GLU A 24 1.928 6.071 -4.876 1.00 0.00 C ATOM 363 C GLU A 24 1.902 4.782 -5.690 1.00 0.00 C ATOM 364 O GLU A 24 0.831 4.307 -6.060 1.00 0.00 O ATOM 365 CB GLU A 24 1.965 7.301 -5.780 1.00 0.00 C ATOM 366 CG GLU A 24 0.676 7.365 -6.599 1.00 0.00 C ATOM 367 CD GLU A 24 0.575 8.678 -7.365 1.00 0.00 C ATOM 368 OE1 GLU A 24 0.748 9.729 -6.712 1.00 0.00 O ATOM 369 OE2 GLU A 24 0.200 8.613 -8.557 1.00 0.00 O ATOM 0 H GLU A 24 3.696 6.879 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 24 1.012 6.110 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.073 8.204 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.829 7.253 -6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.644 6.530 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.184 7.260 -5.938 1.00 0.00 H new ATOM 376 N ASN A 25 3.076 4.195 -5.937 1.00 0.00 N ATOM 377 CA ASN A 25 3.167 2.971 -6.710 1.00 0.00 C ATOM 378 C ASN A 25 2.484 1.830 -5.966 1.00 0.00 C ATOM 379 O ASN A 25 1.894 0.949 -6.588 1.00 0.00 O ATOM 380 CB ASN A 25 4.638 2.642 -6.953 1.00 0.00 C ATOM 381 CG ASN A 25 4.798 1.530 -7.982 1.00 0.00 C ATOM 382 OD1 ASN A 25 3.823 1.090 -8.586 1.00 0.00 O ATOM 383 ND2 ASN A 25 6.033 1.063 -8.169 1.00 0.00 N ATOM 0 H ASN A 25 3.973 4.554 -5.609 1.00 0.00 H new ATOM 0 HA ASN A 25 2.664 3.105 -7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.160 3.535 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.105 2.341 -6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.198 0.309 -8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.813 1.459 -7.645 1.00 0.00 H new ATOM 390 N VAL A 26 2.504 1.874 -4.632 1.00 0.00 N ATOM 391 CA VAL A 26 1.858 0.848 -3.836 1.00 0.00 C ATOM 392 C VAL A 26 0.352 0.938 -4.037 1.00 0.00 C ATOM 393 O VAL A 26 -0.339 -0.079 -4.037 1.00 0.00 O ATOM 394 CB VAL A 26 2.217 1.044 -2.361 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.563 -0.048 -1.515 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.732 0.979 -2.178 1.00 0.00 C ATOM 0 H VAL A 26 2.960 2.608 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 26 2.200 -0.139 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 26 1.854 2.020 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.824 0.099 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.480 0.002 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.918 -1.025 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.978 1.120 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.097 0.007 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.204 1.764 -2.769 1.00 0.00 H new ATOM 406 N LYS A 27 -0.146 2.155 -4.264 1.00 0.00 N ATOM 407 CA LYS A 27 -1.561 2.375 -4.490 1.00 0.00 C ATOM 408 C LYS A 27 -1.916 2.083 -5.945 1.00 0.00 C ATOM 409 O LYS A 27 -3.050 1.713 -6.242 1.00 0.00 O ATOM 410 CB LYS A 27 -1.908 3.822 -4.135 1.00 0.00 C ATOM 411 CG LYS A 27 -1.605 4.072 -2.657 1.00 0.00 C ATOM 412 CD LYS A 27 -2.034 5.484 -2.255 1.00 0.00 C ATOM 413 CE LYS A 27 -1.205 6.516 -3.017 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.512 7.883 -2.565 1.00 0.00 N ATOM 0 H LYS A 27 0.420 3.003 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.139 1.701 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.332 4.508 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.961 4.015 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.127 3.338 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.539 3.942 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.093 5.626 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.904 5.621 -1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.144 6.312 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.404 6.430 -4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.935 8.563 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.520 8.083 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.299 7.969 -1.551 1.00 0.00 H new ATOM 428 N ALA A 28 -0.950 2.252 -6.852 1.00 0.00 N ATOM 429 CA ALA A 28 -1.197 2.077 -8.271 1.00 0.00 C ATOM 430 C ALA A 28 -1.233 0.599 -8.646 1.00 0.00 C ATOM 431 O ALA A 28 -2.041 0.197 -9.480 1.00 0.00 O ATOM 432 CB ALA A 28 -0.102 2.791 -9.060 1.00 0.00 C ATOM 0 H ALA A 28 0.009 2.510 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.169 2.506 -8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.281 2.664 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.110 3.853 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.868 2.367 -8.802 1.00 0.00 H new ATOM 438 N LYS A 29 -0.392 -0.222 -8.011 1.00 0.00 N ATOM 439 CA LYS A 29 -0.349 -1.639 -8.333 1.00 0.00 C ATOM 440 C LYS A 29 -1.585 -2.340 -7.784 1.00 0.00 C ATOM 441 O LYS A 29 -1.939 -3.422 -8.247 1.00 0.00 O ATOM 442 CB LYS A 29 0.917 -2.264 -7.750 1.00 0.00 C ATOM 443 CG LYS A 29 2.164 -1.664 -8.400 1.00 0.00 C ATOM 444 CD LYS A 29 2.256 -2.070 -9.869 1.00 0.00 C ATOM 445 CE LYS A 29 3.522 -1.466 -10.474 1.00 0.00 C ATOM 446 NZ LYS A 29 3.647 -1.813 -11.898 1.00 0.00 N ATOM 0 H LYS A 29 0.258 0.071 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.335 -1.757 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.947 -2.099 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.902 -3.342 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.135 -0.577 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.054 -2.000 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.277 -3.156 -9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.377 -1.722 -10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.501 -0.382 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.396 -1.826 -9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.515 -1.390 -12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.690 -2.847 -12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.824 -1.448 -12.418 1.00 0.00 H new ATOM 460 N ILE A 30 -2.259 -1.714 -6.816 1.00 0.00 N ATOM 461 CA ILE A 30 -3.470 -2.278 -6.254 1.00 0.00 C ATOM 462 C ILE A 30 -4.669 -1.800 -7.065 1.00 0.00 C ATOM 463 O ILE A 30 -5.712 -2.448 -7.069 1.00 0.00 O ATOM 464 CB ILE A 30 -3.595 -1.861 -4.787 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.444 -2.480 -3.992 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.926 -2.351 -4.217 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.415 -1.921 -2.570 1.00 0.00 C ATOM 0 H ILE A 30 -1.981 -0.820 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.434 -3.367 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.555 -0.774 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.557 -3.564 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.497 -2.272 -4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.007 -2.050 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.748 -1.915 -4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.973 -3.438 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.590 -2.372 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.279 -0.840 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.355 -2.151 -2.069 1.00 0.00 H new ATOM 479 N GLN A 31 -4.504 -0.697 -7.801 1.00 0.00 N ATOM 480 CA GLN A 31 -5.567 -0.177 -8.638 1.00 0.00 C ATOM 481 C GLN A 31 -5.897 -1.184 -9.733 1.00 0.00 C ATOM 482 O GLN A 31 -7.052 -1.317 -10.126 1.00 0.00 O ATOM 483 CB GLN A 31 -5.124 1.154 -9.245 1.00 0.00 C ATOM 484 CG GLN A 31 -6.244 1.749 -10.096 1.00 0.00 C ATOM 485 CD GLN A 31 -5.802 3.058 -10.739 1.00 0.00 C ATOM 486 OE1 GLN A 31 -6.389 4.107 -10.487 1.00 0.00 O ATOM 487 NE2 GLN A 31 -4.746 3.000 -11.552 1.00 0.00 N ATOM 0 H GLN A 31 -3.641 -0.153 -7.828 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.463 -0.012 -8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.852 1.850 -8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.234 1.004 -9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.534 1.039 -10.870 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.124 1.922 -9.476 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.290 2.106 -11.732 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.395 3.850 -11.993 1.00 0.00 H new ATOM 496 N ASP A 32 -4.883 -1.906 -10.214 1.00 0.00 N ATOM 497 CA ASP A 32 -5.079 -2.899 -11.254 1.00 0.00 C ATOM 498 C ASP A 32 -5.613 -4.197 -10.662 1.00 0.00 C ATOM 499 O ASP A 32 -6.282 -4.965 -11.352 1.00 0.00 O ATOM 500 CB ASP A 32 -3.750 -3.154 -11.962 1.00 0.00 C ATOM 501 CG ASP A 32 -3.915 -4.182 -13.074 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.287 -5.257 -12.952 1.00 0.00 O ATOM 503 OD2 ASP A 32 -4.567 -3.828 -14.080 1.00 0.00 O ATOM 0 H ASP A 32 -3.919 -1.816 -9.894 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.810 -2.525 -11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.370 -2.221 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.012 -3.507 -11.242 1.00 0.00 H new ATOM 508 N LYS A 33 -5.298 -4.458 -9.390 1.00 0.00 N ATOM 509 CA LYS A 33 -5.658 -5.714 -8.760 1.00 0.00 C ATOM 510 C LYS A 33 -7.029 -5.614 -8.104 1.00 0.00 C ATOM 511 O LYS A 33 -7.945 -6.351 -8.463 1.00 0.00 O ATOM 512 CB LYS A 33 -4.590 -6.072 -7.725 1.00 0.00 C ATOM 513 CG LYS A 33 -4.766 -7.513 -7.244 1.00 0.00 C ATOM 514 CD LYS A 33 -4.437 -8.484 -8.378 1.00 0.00 C ATOM 515 CE LYS A 33 -4.474 -9.917 -7.854 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.139 -10.877 -8.919 1.00 0.00 N ATOM 0 H LYS A 33 -4.794 -3.811 -8.783 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.710 -6.498 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.598 -5.947 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.655 -5.390 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.115 -7.703 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.790 -7.670 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.153 -8.365 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.451 -8.261 -8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.771 -10.024 -7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.466 -10.138 -7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.171 -11.844 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.826 -10.788 -9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.183 -10.678 -9.278 1.00 0.00 H new ATOM 530 N GLU A 34 -7.170 -4.703 -7.139 1.00 0.00 N ATOM 531 CA GLU A 34 -8.403 -4.562 -6.388 1.00 0.00 C ATOM 532 C GLU A 34 -9.367 -3.641 -7.128 1.00 0.00 C ATOM 533 O GLU A 34 -10.564 -3.642 -6.849 1.00 0.00 O ATOM 534 CB GLU A 34 -8.076 -3.999 -5.006 1.00 0.00 C ATOM 535 CG GLU A 34 -9.262 -4.173 -4.060 1.00 0.00 C ATOM 536 CD GLU A 34 -9.643 -5.641 -3.924 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.835 -5.944 -4.144 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.751 -6.424 -3.530 1.00 0.00 O ATOM 0 H GLU A 34 -6.435 -4.051 -6.864 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.883 -5.535 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.201 -4.506 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.822 -2.942 -5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.012 -3.766 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.115 -3.606 -4.433 1.00 0.00 H new ATOM 545 N GLY A 35 -8.855 -2.891 -8.106 1.00 0.00 N ATOM 546 CA GLY A 35 -9.680 -2.026 -8.928 1.00 0.00 C ATOM 547 C GLY A 35 -9.958 -0.693 -8.239 1.00 0.00 C ATOM 548 O GLY A 35 -10.583 0.181 -8.834 1.00 0.00 O ATOM 0 H GLY A 35 -7.863 -2.871 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.183 -1.847 -9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.623 -2.525 -9.150 1.00 0.00 H new ATOM 552 N ILE A 36 -9.523 -0.544 -6.983 1.00 0.00 N ATOM 553 CA ILE A 36 -9.774 0.669 -6.220 1.00 0.00 C ATOM 554 C ILE A 36 -8.758 1.747 -6.590 1.00 0.00 C ATOM 555 O ILE A 36 -7.570 1.592 -6.310 1.00 0.00 O ATOM 556 CB ILE A 36 -9.681 0.356 -4.726 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.666 -0.764 -4.380 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.016 1.617 -3.929 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.509 -1.182 -2.919 1.00 0.00 C ATOM 0 H ILE A 36 -8.994 -1.255 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.773 1.038 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.672 0.030 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.687 -0.427 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.494 -1.622 -5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.952 1.401 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.309 2.406 -4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.027 1.944 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.217 -1.979 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.493 -1.539 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.705 -0.326 -2.273 1.00 0.00 H new ATOM 571 N PRO A 37 -9.224 2.872 -7.147 1.00 0.00 N ATOM 572 CA PRO A 37 -8.379 3.996 -7.500 1.00 0.00 C ATOM 573 C PRO A 37 -7.749 4.609 -6.251 1.00 0.00 C ATOM 574 O PRO A 37 -8.230 4.387 -5.141 1.00 0.00 O ATOM 575 CB PRO A 37 -9.295 5.014 -8.184 1.00 0.00 C ATOM 576 CG PRO A 37 -10.568 4.241 -8.532 1.00 0.00 C ATOM 577 CD PRO A 37 -10.600 3.094 -7.527 1.00 0.00 C ATOM 0 HA PRO A 37 -7.563 3.687 -8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.513 5.853 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.827 5.425 -9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.453 4.872 -8.444 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.541 3.871 -9.557 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.210 3.349 -6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.034 2.197 -7.969 1.00 0.00 H new ATOM 585 N PRO A 38 -6.751 5.478 -6.440 1.00 0.00 N ATOM 586 CA PRO A 38 -6.100 6.204 -5.368 1.00 0.00 C ATOM 587 C PRO A 38 -7.100 7.068 -4.602 1.00 0.00 C ATOM 588 O PRO A 38 -8.226 7.267 -5.053 1.00 0.00 O ATOM 589 CB PRO A 38 -5.035 7.073 -6.039 1.00 0.00 C ATOM 590 CG PRO A 38 -4.802 6.420 -7.403 1.00 0.00 C ATOM 591 CD PRO A 38 -6.126 5.728 -7.719 1.00 0.00 C ATOM 0 HA PRO A 38 -5.661 5.523 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.375 8.103 -6.146 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.118 7.099 -5.451 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.549 7.161 -8.161 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.979 5.707 -7.367 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.757 6.357 -8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.962 4.798 -8.263 1.00 0.00 H new ATOM 599 N ASP A 39 -6.659 7.606 -3.460 1.00 0.00 N ATOM 600 CA ASP A 39 -7.441 8.496 -2.610 1.00 0.00 C ATOM 601 C ASP A 39 -8.534 7.736 -1.867 1.00 0.00 C ATOM 602 O ASP A 39 -8.780 7.997 -0.691 1.00 0.00 O ATOM 603 CB ASP A 39 -8.029 9.641 -3.432 1.00 0.00 C ATOM 604 CG ASP A 39 -8.572 10.729 -2.514 1.00 0.00 C ATOM 605 OD1 ASP A 39 -9.815 10.816 -2.412 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.738 11.373 -1.840 1.00 0.00 O ATOM 0 H ASP A 39 -5.723 7.427 -3.096 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.773 8.920 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.264 10.057 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.827 9.265 -4.073 1.00 0.00 H new ATOM 611 N GLN A 40 -9.178 6.779 -2.539 1.00 0.00 N ATOM 612 CA GLN A 40 -10.175 5.939 -1.902 1.00 0.00 C ATOM 613 C GLN A 40 -9.469 4.957 -0.976 1.00 0.00 C ATOM 614 O GLN A 40 -10.097 4.348 -0.113 1.00 0.00 O ATOM 615 CB GLN A 40 -10.980 5.201 -2.970 1.00 0.00 C ATOM 616 CG GLN A 40 -11.849 6.205 -3.727 1.00 0.00 C ATOM 617 CD GLN A 40 -12.651 5.520 -4.825 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.560 4.743 -4.541 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.348 5.846 -6.082 1.00 0.00 N ATOM 0 H GLN A 40 -9.021 6.572 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.865 6.546 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.309 4.690 -3.660 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.605 4.437 -2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.527 6.700 -3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.218 6.980 -4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.585 6.496 -6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.880 5.446 -6.855 1.00 0.00 H new ATOM 628 N GLN A 41 -8.155 4.809 -1.167 1.00 0.00 N ATOM 629 CA GLN A 41 -7.333 3.932 -0.361 1.00 0.00 C ATOM 630 C GLN A 41 -6.302 4.748 0.413 1.00 0.00 C ATOM 631 O GLN A 41 -5.898 5.822 -0.028 1.00 0.00 O ATOM 632 CB GLN A 41 -6.670 2.900 -1.276 1.00 0.00 C ATOM 633 CG GLN A 41 -5.691 3.584 -2.229 1.00 0.00 C ATOM 634 CD GLN A 41 -5.081 2.573 -3.189 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.247 1.763 -2.792 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.502 2.616 -4.454 1.00 0.00 N ATOM 0 H GLN A 41 -7.637 5.303 -1.894 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.945 3.405 0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.144 2.157 -0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.431 2.368 -1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.207 4.362 -2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.902 4.073 -1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.197 3.307 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.129 1.958 -5.138 1.00 0.00 H new ATOM 645 N ARG A 42 -5.839 4.202 1.541 1.00 0.00 N ATOM 646 CA ARG A 42 -4.862 4.844 2.404 1.00 0.00 C ATOM 647 C ARG A 42 -3.962 3.772 3.011 1.00 0.00 C ATOM 648 O ARG A 42 -4.411 2.656 3.265 1.00 0.00 O ATOM 649 CB ARG A 42 -5.592 5.629 3.494 1.00 0.00 C ATOM 650 CG ARG A 42 -6.198 6.893 2.881 1.00 0.00 C ATOM 651 CD ARG A 42 -7.075 7.618 3.897 1.00 0.00 C ATOM 652 NE ARG A 42 -8.212 6.785 4.300 1.00 0.00 N ATOM 653 CZ ARG A 42 -9.410 7.283 4.635 1.00 0.00 C ATOM 654 NH1 ARG A 42 -9.641 8.598 4.538 1.00 0.00 N ATOM 655 NH2 ARG A 42 -10.383 6.463 5.051 1.00 0.00 N ATOM 0 H ARG A 42 -6.141 3.288 1.879 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.245 5.539 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.375 5.015 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.900 5.894 4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.402 7.556 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.790 6.630 2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.482 7.879 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.438 8.552 3.468 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.084 5.773 4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.905 9.222 4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.553 8.976 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.212 5.459 5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.295 6.842 5.306 1.00 0.00 H new ATOM 669 N LEU A 43 -2.685 4.106 3.215 1.00 0.00 N ATOM 670 CA LEU A 43 -1.681 3.160 3.667 1.00 0.00 C ATOM 671 C LEU A 43 -1.163 3.565 5.047 1.00 0.00 C ATOM 672 O LEU A 43 -1.231 4.735 5.420 1.00 0.00 O ATOM 673 CB LEU A 43 -0.533 3.161 2.655 1.00 0.00 C ATOM 674 CG LEU A 43 -0.901 2.364 1.402 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.161 2.602 0.331 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.960 0.869 1.708 1.00 0.00 C ATOM 0 H LEU A 43 -2.324 5.049 3.068 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.113 2.162 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.289 4.187 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.359 2.733 3.112 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.880 2.694 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.094 2.037 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.204 3.664 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.132 2.274 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.223 0.322 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.013 0.532 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.712 0.684 2.475 1.00 0.00 H new ATOM 688 N ALA A 44 -0.626 2.594 5.794 1.00 0.00 N ATOM 689 CA ALA A 44 -0.024 2.826 7.098 1.00 0.00 C ATOM 690 C ALA A 44 0.867 1.641 7.461 1.00 0.00 C ATOM 691 O ALA A 44 0.782 0.585 6.839 1.00 0.00 O ATOM 692 CB ALA A 44 -1.124 2.995 8.143 1.00 0.00 C ATOM 0 H ALA A 44 -0.600 1.617 5.501 1.00 0.00 H new ATOM 0 HA ALA A 44 0.581 3.732 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.674 3.169 9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.752 3.845 7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.733 2.092 8.180 1.00 0.00 H new ATOM 698 N PHE A 45 1.691 1.801 8.499 1.00 0.00 N ATOM 699 CA PHE A 45 2.549 0.732 8.981 1.00 0.00 C ATOM 700 C PHE A 45 2.680 0.814 10.495 1.00 0.00 C ATOM 701 O PHE A 45 3.338 1.713 11.010 1.00 0.00 O ATOM 702 CB PHE A 45 3.916 0.824 8.306 1.00 0.00 C ATOM 703 CG PHE A 45 4.785 -0.391 8.541 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.340 -0.622 9.807 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.011 -1.306 7.504 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.132 -1.755 10.031 1.00 0.00 C ATOM 707 CE2 PHE A 45 5.806 -2.438 7.727 1.00 0.00 C ATOM 708 CZ PHE A 45 6.369 -2.661 8.990 1.00 0.00 C ATOM 0 H PHE A 45 1.778 2.672 9.022 1.00 0.00 H new ATOM 0 HA PHE A 45 2.106 -0.232 8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.775 0.959 7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.435 1.709 8.673 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.157 0.075 10.611 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.572 -1.138 6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.560 -1.930 11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.985 -3.139 6.925 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.985 -3.531 9.161 1.00 0.00 H new ATOM 718 N ALA A 46 2.077 -0.143 11.205 1.00 0.00 N ATOM 719 CA ALA A 46 2.118 -0.183 12.658 1.00 0.00 C ATOM 720 C ALA A 46 1.645 1.140 13.259 1.00 0.00 C ATOM 721 O ALA A 46 1.940 1.436 14.414 1.00 0.00 O ATOM 722 CB ALA A 46 3.533 -0.530 13.117 1.00 0.00 C ATOM 0 H ALA A 46 1.549 -0.908 10.784 1.00 0.00 H new ATOM 0 HA ALA A 46 1.435 -0.955 13.012 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.565 -0.560 14.206 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.816 -1.504 12.718 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.229 0.227 12.754 1.00 0.00 H new ATOM 728 N GLY A 47 0.917 1.936 12.471 1.00 0.00 N ATOM 729 CA GLY A 47 0.371 3.201 12.931 1.00 0.00 C ATOM 730 C GLY A 47 1.174 4.375 12.383 1.00 0.00 C ATOM 731 O GLY A 47 0.743 5.522 12.490 1.00 0.00 O ATOM 0 H GLY A 47 0.694 1.716 11.500 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.669 3.288 12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.377 3.229 14.021 1.00 0.00 H new ATOM 735 N LYS A 48 2.324 4.092 11.767 1.00 0.00 N ATOM 736 CA LYS A 48 3.131 5.124 11.149 1.00 0.00 C ATOM 737 C LYS A 48 2.505 5.494 9.816 1.00 0.00 C ATOM 738 O LYS A 48 2.276 4.624 8.977 1.00 0.00 O ATOM 739 CB LYS A 48 4.560 4.620 10.951 1.00 0.00 C ATOM 740 CG LYS A 48 5.161 4.197 12.292 1.00 0.00 C ATOM 741 CD LYS A 48 6.591 3.706 12.079 1.00 0.00 C ATOM 742 CE LYS A 48 7.214 3.348 13.427 1.00 0.00 C ATOM 743 NZ LYS A 48 8.584 2.839 13.256 1.00 0.00 N ATOM 0 H LYS A 48 2.710 3.151 11.688 1.00 0.00 H new ATOM 0 HA LYS A 48 3.169 6.005 11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.564 3.777 10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.171 5.403 10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.154 5.037 12.987 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.557 3.408 12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.594 2.836 11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.182 4.478 11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.227 4.227 14.071 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.603 2.596 13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.985 2.603 14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.566 1.987 12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.171 3.567 12.801 1.00 0.00 H new ATOM 757 N GLN A 49 2.189 6.777 9.632 1.00 0.00 N ATOM 758 CA GLN A 49 1.563 7.222 8.404 1.00 0.00 C ATOM 759 C GLN A 49 2.546 7.079 7.251 1.00 0.00 C ATOM 760 O GLN A 49 3.733 7.359 7.407 1.00 0.00 O ATOM 761 CB GLN A 49 1.109 8.675 8.553 1.00 0.00 C ATOM 762 CG GLN A 49 2.307 9.596 8.792 1.00 0.00 C ATOM 763 CD GLN A 49 1.867 11.051 8.881 1.00 0.00 C ATOM 764 OE1 GLN A 49 1.186 11.551 7.988 1.00 0.00 O ATOM 765 NE2 GLN A 49 2.267 11.737 9.952 1.00 0.00 N ATOM 0 H GLN A 49 2.358 7.514 10.316 1.00 0.00 H new ATOM 0 HA GLN A 49 0.688 6.607 8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.577 8.989 7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.409 8.759 9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.813 9.308 9.713 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.027 9.479 7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.831 11.280 10.669 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.009 12.718 10.055 1.00 0.00 H new ATOM 774 N LEU A 50 2.049 6.634 6.096 1.00 0.00 N ATOM 775 CA LEU A 50 2.862 6.548 4.900 1.00 0.00 C ATOM 776 C LEU A 50 2.405 7.629 3.933 1.00 0.00 C ATOM 777 O LEU A 50 1.209 7.899 3.829 1.00 0.00 O ATOM 778 CB LEU A 50 2.724 5.157 4.280 1.00 0.00 C ATOM 779 CG LEU A 50 3.158 4.080 5.278 1.00 0.00 C ATOM 780 CD1 LEU A 50 2.990 2.704 4.640 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.622 4.270 5.669 1.00 0.00 C ATOM 0 H LEU A 50 1.084 6.329 5.972 1.00 0.00 H new ATOM 0 HA LEU A 50 3.914 6.702 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.690 4.987 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.333 5.092 3.378 1.00 0.00 H new ATOM 0 HG LEU A 50 2.538 4.161 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.298 1.935 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.944 2.553 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.607 2.641 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.912 3.495 6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.248 4.200 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.752 5.250 6.128 1.00 0.00 H new ATOM 793 N GLU A 51 3.351 8.263 3.238 1.00 0.00 N ATOM 794 CA GLU A 51 3.017 9.343 2.333 1.00 0.00 C ATOM 795 C GLU A 51 3.981 9.361 1.152 1.00 0.00 C ATOM 796 O GLU A 51 5.087 8.830 1.239 1.00 0.00 O ATOM 797 CB GLU A 51 3.065 10.660 3.107 1.00 0.00 C ATOM 798 CG GLU A 51 2.516 11.803 2.257 1.00 0.00 C ATOM 799 CD GLU A 51 2.319 13.051 3.106 1.00 0.00 C ATOM 800 OE1 GLU A 51 3.336 13.728 3.368 1.00 0.00 O ATOM 801 OE2 GLU A 51 1.175 13.241 3.576 1.00 0.00 O ATOM 0 H GLU A 51 4.346 8.043 3.290 1.00 0.00 H new ATOM 0 HA GLU A 51 2.013 9.200 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.484 10.570 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.092 10.878 3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.203 12.018 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.568 11.508 1.808 1.00 0.00 H new ATOM 808 N ASP A 52 3.546 9.964 0.044 1.00 0.00 N ATOM 809 CA ASP A 52 4.349 10.082 -1.158 1.00 0.00 C ATOM 810 C ASP A 52 5.384 11.190 -0.994 1.00 0.00 C ATOM 811 O ASP A 52 5.260 12.035 -0.109 1.00 0.00 O ATOM 812 CB ASP A 52 3.432 10.384 -2.342 1.00 0.00 C ATOM 813 CG ASP A 52 2.640 11.665 -2.109 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.513 11.547 -1.579 1.00 0.00 O ATOM 815 OD2 ASP A 52 3.173 12.740 -2.462 1.00 0.00 O ATOM 0 H ASP A 52 2.620 10.384 -0.037 1.00 0.00 H new ATOM 0 HA ASP A 52 4.877 9.145 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.026 10.480 -3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.746 9.551 -2.496 1.00 0.00 H new ATOM 820 N GLY A 53 6.404 11.186 -1.858 1.00 0.00 N ATOM 821 CA GLY A 53 7.429 12.214 -1.860 1.00 0.00 C ATOM 822 C GLY A 53 8.779 11.642 -1.444 1.00 0.00 C ATOM 823 O GLY A 53 9.785 12.349 -1.480 1.00 0.00 O ATOM 0 H GLY A 53 6.535 10.468 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.507 12.652 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.145 13.017 -1.179 1.00 0.00 H new ATOM 827 N ARG A 54 8.804 10.373 -1.030 1.00 0.00 N ATOM 828 CA ARG A 54 10.034 9.732 -0.606 1.00 0.00 C ATOM 829 C ARG A 54 10.073 8.295 -1.112 1.00 0.00 C ATOM 830 O ARG A 54 9.028 7.684 -1.329 1.00 0.00 O ATOM 831 CB ARG A 54 10.111 9.793 0.920 1.00 0.00 C ATOM 832 CG ARG A 54 11.402 9.159 1.436 1.00 0.00 C ATOM 833 CD ARG A 54 11.474 9.340 2.950 1.00 0.00 C ATOM 834 NE ARG A 54 12.690 8.737 3.502 1.00 0.00 N ATOM 835 CZ ARG A 54 13.113 8.940 4.756 1.00 0.00 C ATOM 836 NH1 ARG A 54 12.436 9.764 5.567 1.00 0.00 N ATOM 837 NH2 ARG A 54 14.244 8.365 5.181 1.00 0.00 N ATOM 0 H ARG A 54 7.980 9.774 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 54 10.898 10.248 -1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.057 10.831 1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.253 9.277 1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.429 8.099 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.266 9.623 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.450 10.402 3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.598 8.887 3.414 1.00 0.00 H new ATOM 0 HE ARG A 54 13.244 8.130 2.898 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.598 10.237 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.759 9.918 6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.783 7.772 4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.567 8.519 6.136 1.00 0.00 H new ATOM 851 N THR A 55 11.281 7.741 -1.247 1.00 0.00 N ATOM 852 CA THR A 55 11.466 6.361 -1.654 1.00 0.00 C ATOM 853 C THR A 55 10.775 5.458 -0.644 1.00 0.00 C ATOM 854 O THR A 55 11.090 5.503 0.544 1.00 0.00 O ATOM 855 CB THR A 55 12.964 6.062 -1.725 1.00 0.00 C ATOM 856 OG1 THR A 55 13.582 6.982 -2.596 1.00 0.00 O ATOM 857 CG2 THR A 55 13.205 4.644 -2.236 1.00 0.00 C ATOM 0 H THR A 55 12.152 8.243 -1.076 1.00 0.00 H new ATOM 0 HA THR A 55 11.031 6.184 -2.637 1.00 0.00 H new ATOM 0 HB THR A 55 13.387 6.151 -0.724 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.543 6.794 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.277 4.450 -2.280 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.734 3.929 -1.561 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.777 4.539 -3.233 1.00 0.00 H new ATOM 865 N LEU A 56 9.811 4.658 -1.105 1.00 0.00 N ATOM 866 CA LEU A 56 9.004 3.852 -0.209 1.00 0.00 C ATOM 867 C LEU A 56 9.863 2.853 0.558 1.00 0.00 C ATOM 868 O LEU A 56 9.615 2.611 1.737 1.00 0.00 O ATOM 869 CB LEU A 56 7.904 3.147 -1.009 1.00 0.00 C ATOM 870 CG LEU A 56 8.479 2.180 -2.047 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.565 0.769 -1.465 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.554 2.147 -3.260 1.00 0.00 C ATOM 0 H LEU A 56 9.577 4.556 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 56 8.537 4.502 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.253 2.601 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.287 3.892 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 56 9.476 2.517 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.975 0.091 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.212 0.776 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.569 0.432 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.956 1.460 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.564 1.811 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.481 3.146 -3.689 1.00 0.00 H new ATOM 884 N SER A 57 10.925 2.341 -0.071 1.00 0.00 N ATOM 885 CA SER A 57 11.770 1.350 0.570 1.00 0.00 C ATOM 886 C SER A 57 12.650 2.004 1.629 1.00 0.00 C ATOM 887 O SER A 57 13.122 1.334 2.545 1.00 0.00 O ATOM 888 CB SER A 57 12.635 0.664 -0.484 1.00 0.00 C ATOM 889 OG SER A 57 11.806 0.060 -1.453 1.00 0.00 O ATOM 0 H SER A 57 11.212 2.599 -1.015 1.00 0.00 H new ATOM 0 HA SER A 57 11.140 0.608 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.295 1.391 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.271 -0.087 -0.015 1.00 0.00 H new ATOM 0 HG SER A 57 12.348 -0.510 -2.038 1.00 0.00 H new ATOM 895 N ASP A 58 12.864 3.315 1.510 1.00 0.00 N ATOM 896 CA ASP A 58 13.666 4.049 2.470 1.00 0.00 C ATOM 897 C ASP A 58 12.766 4.643 3.548 1.00 0.00 C ATOM 898 O ASP A 58 13.250 5.077 4.591 1.00 0.00 O ATOM 899 CB ASP A 58 14.434 5.149 1.742 1.00 0.00 C ATOM 900 CG ASP A 58 15.400 5.856 2.682 1.00 0.00 C ATOM 901 OD1 ASP A 58 15.123 7.032 3.003 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.439 5.236 3.000 1.00 0.00 O ATOM 0 H ASP A 58 12.488 3.886 0.753 1.00 0.00 H new ATOM 0 HA ASP A 58 14.378 3.377 2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.985 4.720 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.733 5.872 1.325 1.00 0.00 H new ATOM 907 N TYR A 59 11.455 4.659 3.294 1.00 0.00 N ATOM 908 CA TYR A 59 10.498 5.252 4.207 1.00 0.00 C ATOM 909 C TYR A 59 10.190 4.299 5.358 1.00 0.00 C ATOM 910 O TYR A 59 10.570 4.562 6.497 1.00 0.00 O ATOM 911 CB TYR A 59 9.225 5.612 3.440 1.00 0.00 C ATOM 912 CG TYR A 59 8.568 6.888 3.916 1.00 0.00 C ATOM 913 CD1 TYR A 59 8.049 7.790 2.978 1.00 0.00 C ATOM 914 CD2 TYR A 59 8.480 7.171 5.286 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.442 8.978 3.404 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.872 8.357 5.721 1.00 0.00 C ATOM 917 CZ TYR A 59 7.352 9.267 4.779 1.00 0.00 C ATOM 918 OH TYR A 59 6.759 10.422 5.194 1.00 0.00 O ATOM 0 H TYR A 59 11.038 4.262 2.452 1.00 0.00 H new ATOM 0 HA TYR A 59 10.923 6.159 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.465 5.711 2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.513 4.792 3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.117 7.568 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.881 6.475 6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.043 9.672 2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.802 8.573 6.777 1.00 0.00 H new ATOM 0 HH TYR A 59 6.779 10.467 6.173 1.00 0.00 H new ATOM 928 N ASN A 60 9.471 3.209 5.070 1.00 0.00 N ATOM 929 CA ASN A 60 9.066 2.268 6.100 1.00 0.00 C ATOM 930 C ASN A 60 8.947 0.861 5.525 1.00 0.00 C ATOM 931 O ASN A 60 9.037 -0.116 6.265 1.00 0.00 O ATOM 932 CB ASN A 60 7.720 2.702 6.679 1.00 0.00 C ATOM 933 CG ASN A 60 7.891 3.793 7.726 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.535 3.576 8.750 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.272 4.951 7.494 1.00 0.00 N ATOM 0 H ASN A 60 9.161 2.963 4.130 1.00 0.00 H new ATOM 0 HA ASN A 60 9.821 2.258 6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.077 3.063 5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.220 1.842 7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.322 5.703 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.749 5.085 6.629 1.00 0.00 H new ATOM 942 N ILE A 61 8.681 0.753 4.219 1.00 0.00 N ATOM 943 CA ILE A 61 8.506 -0.537 3.577 1.00 0.00 C ATOM 944 C ILE A 61 9.742 -1.396 3.817 1.00 0.00 C ATOM 945 O ILE A 61 10.867 -0.900 3.768 1.00 0.00 O ATOM 946 CB ILE A 61 8.253 -0.343 2.078 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.783 0.007 1.835 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.555 -1.643 1.336 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.499 1.453 2.236 1.00 0.00 C ATOM 0 H ILE A 61 8.584 1.551 3.591 1.00 0.00 H new ATOM 0 HA ILE A 61 7.642 -1.046 4.004 1.00 0.00 H new ATOM 0 HB ILE A 61 8.895 0.462 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.539 -0.139 0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.144 -0.666 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.375 -1.504 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.598 -1.919 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.909 -2.436 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.449 1.681 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.723 1.588 3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.123 2.124 1.645 1.00 0.00 H new ATOM 961 N GLN A 62 9.529 -2.689 4.079 1.00 0.00 N ATOM 962 CA GLN A 62 10.615 -3.622 4.312 1.00 0.00 C ATOM 963 C GLN A 62 10.381 -4.887 3.493 1.00 0.00 C ATOM 964 O GLN A 62 9.304 -5.078 2.931 1.00 0.00 O ATOM 965 CB GLN A 62 10.698 -3.944 5.803 1.00 0.00 C ATOM 966 CG GLN A 62 11.339 -2.774 6.548 1.00 0.00 C ATOM 967 CD GLN A 62 11.335 -3.019 8.051 1.00 0.00 C ATOM 968 OE1 GLN A 62 11.953 -3.966 8.531 1.00 0.00 O ATOM 969 NE2 GLN A 62 10.626 -2.167 8.793 1.00 0.00 N ATOM 0 H GLN A 62 8.601 -3.108 4.134 1.00 0.00 H new ATOM 0 HA GLN A 62 11.561 -3.179 4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.701 -4.137 6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.284 -4.850 5.957 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.363 -2.634 6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.798 -1.855 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.129 -1.395 8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.581 -2.287 9.805 1.00 0.00 H new ATOM 978 N LYS A 63 11.403 -5.744 3.425 1.00 0.00 N ATOM 979 CA LYS A 63 11.350 -6.977 2.660 1.00 0.00 C ATOM 980 C LYS A 63 10.279 -7.910 3.215 1.00 0.00 C ATOM 981 O LYS A 63 10.304 -8.258 4.393 1.00 0.00 O ATOM 982 CB LYS A 63 12.728 -7.644 2.674 1.00 0.00 C ATOM 983 CG LYS A 63 13.198 -7.897 4.107 1.00 0.00 C ATOM 984 CD LYS A 63 14.627 -8.434 4.085 1.00 0.00 C ATOM 985 CE LYS A 63 15.108 -8.655 5.517 1.00 0.00 C ATOM 986 NZ LYS A 63 16.498 -9.137 5.540 1.00 0.00 N ATOM 0 H LYS A 63 12.291 -5.595 3.904 1.00 0.00 H new ATOM 0 HA LYS A 63 11.081 -6.750 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.685 -8.587 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.449 -7.010 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.154 -6.973 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.537 -8.611 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.667 -9.370 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.284 -7.730 3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.034 -7.723 6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.461 -9.378 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.800 -9.279 6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.561 -10.038 5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.116 -8.435 5.086 1.00 0.00 H new ATOM 1000 N GLU A 64 9.330 -8.299 2.358 1.00 0.00 N ATOM 1001 CA GLU A 64 8.278 -9.236 2.713 1.00 0.00 C ATOM 1002 C GLU A 64 7.689 -8.898 4.078 1.00 0.00 C ATOM 1003 O GLU A 64 7.461 -9.788 4.895 1.00 0.00 O ATOM 1004 CB GLU A 64 8.832 -10.661 2.681 1.00 0.00 C ATOM 1005 CG GLU A 64 9.204 -11.045 1.249 1.00 0.00 C ATOM 1006 CD GLU A 64 10.548 -10.453 0.847 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.537 -9.543 -0.010 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.569 -10.968 1.351 1.00 0.00 O ATOM 0 H GLU A 64 9.276 -7.967 1.395 1.00 0.00 H new ATOM 0 HA GLU A 64 7.470 -9.161 1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.708 -10.734 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.090 -11.357 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.242 -12.131 1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.431 -10.695 0.564 1.00 0.00 H new ATOM 1015 N SER A 65 7.428 -7.610 4.319 1.00 0.00 N ATOM 1016 CA SER A 65 6.865 -7.167 5.580 1.00 0.00 C ATOM 1017 C SER A 65 5.365 -6.934 5.433 1.00 0.00 C ATOM 1018 O SER A 65 4.845 -6.899 4.319 1.00 0.00 O ATOM 1019 CB SER A 65 7.578 -5.891 6.024 1.00 0.00 C ATOM 1020 OG SER A 65 7.541 -5.786 7.429 1.00 0.00 O ATOM 0 H SER A 65 7.601 -6.860 3.650 1.00 0.00 H new ATOM 0 HA SER A 65 7.010 -7.935 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.612 -5.902 5.678 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.101 -5.021 5.573 1.00 0.00 H new ATOM 0 HG SER A 65 7.225 -4.894 7.682 1.00 0.00 H new ATOM 1026 N THR A 66 4.675 -6.757 6.562 1.00 0.00 N ATOM 1027 CA THR A 66 3.237 -6.569 6.572 1.00 0.00 C ATOM 1028 C THR A 66 2.903 -5.083 6.607 1.00 0.00 C ATOM 1029 O THR A 66 3.479 -4.333 7.392 1.00 0.00 O ATOM 1030 CB THR A 66 2.646 -7.288 7.784 1.00 0.00 C ATOM 1031 OG1 THR A 66 3.072 -8.633 7.786 1.00 0.00 O ATOM 1032 CG2 THR A 66 1.121 -7.239 7.722 1.00 0.00 C ATOM 0 H THR A 66 5.103 -6.741 7.488 1.00 0.00 H new ATOM 0 HA THR A 66 2.805 -6.990 5.664 1.00 0.00 H new ATOM 0 HB THR A 66 2.985 -6.795 8.695 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.695 -9.094 8.564 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.705 -7.753 8.588 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.790 -6.200 7.723 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.778 -7.728 6.810 1.00 0.00 H new ATOM 1040 N LEU A 67 1.952 -4.666 5.768 1.00 0.00 N ATOM 1041 CA LEU A 67 1.519 -3.282 5.695 1.00 0.00 C ATOM 1042 C LEU A 67 0.068 -3.181 6.154 1.00 0.00 C ATOM 1043 O LEU A 67 -0.592 -4.198 6.358 1.00 0.00 O ATOM 1044 CB LEU A 67 1.660 -2.780 4.256 1.00 0.00 C ATOM 1045 CG LEU A 67 3.074 -2.263 3.986 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.058 -3.424 3.852 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.071 -1.474 2.679 1.00 0.00 C ATOM 0 H LEU A 67 1.464 -5.286 5.121 1.00 0.00 H new ATOM 0 HA LEU A 67 2.139 -2.665 6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.427 -3.587 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.938 -1.984 4.073 1.00 0.00 H new ATOM 0 HG LEU A 67 3.381 -1.632 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.057 -3.034 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.066 -4.003 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.754 -4.065 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.075 -1.101 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.754 -2.123 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.382 -0.634 2.763 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.445 -1.951 6.252 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.817 -1.710 6.661 1.00 0.00 C ATOM 1061 C HIS A 68 -2.519 -0.871 5.601 1.00 0.00 C ATOM 1062 O HIS A 68 -1.973 0.126 5.134 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.831 -1.013 8.020 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.221 -0.831 8.568 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -3.809 -1.603 9.537 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -4.116 0.130 8.192 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.047 -1.115 9.742 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -5.283 -0.055 8.943 1.00 0.00 N ATOM 0 H HIS A 68 0.083 -1.102 6.049 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.351 -2.655 6.760 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.240 -1.594 8.727 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.351 -0.039 7.928 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.953 0.896 7.448 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.755 -1.518 10.451 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.138 0.499 8.895 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.706 -1.314 5.184 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.455 -0.677 4.117 1.00 0.00 C ATOM 1078 C LEU A 69 -5.880 -0.403 4.595 1.00 0.00 C ATOM 1079 O LEU A 69 -6.533 -1.298 5.130 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.443 -1.625 2.914 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.073 -0.986 1.681 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.116 0.044 1.083 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.349 -2.062 0.635 1.00 0.00 C ATOM 0 H LEU A 69 -4.171 -2.129 5.583 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.011 0.277 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.416 -1.913 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.983 -2.538 3.166 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.003 -0.498 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.572 0.497 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.907 0.818 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.185 -0.447 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.799 -1.606 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.413 -2.546 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.032 -2.804 1.048 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.369 0.825 4.390 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.705 1.213 4.817 1.00 0.00 C ATOM 1097 C ALA A 70 -8.470 1.814 3.642 1.00 0.00 C ATOM 1098 O ALA A 70 -7.966 2.713 2.972 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.592 2.216 5.964 1.00 0.00 C ATOM 0 H ALA A 70 -5.848 1.569 3.926 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.253 0.338 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.590 2.511 6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.060 1.757 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.046 3.096 5.625 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.711 1.363 3.429 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.496 1.780 2.277 1.00 0.00 C ATOM 1107 C LEU A 71 -11.669 2.648 2.718 1.00 0.00 C ATOM 1108 O LEU A 71 -11.899 2.838 3.911 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.023 0.546 1.533 1.00 0.00 C ATOM 1110 CG LEU A 71 -9.932 -0.233 0.788 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.095 0.709 -0.073 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.022 -0.980 1.763 1.00 0.00 C ATOM 0 H LEU A 71 -10.189 0.707 4.046 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.857 2.361 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.509 -0.119 2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.785 0.860 0.820 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.427 -0.962 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.326 0.139 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.737 1.203 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.623 1.459 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.259 -1.523 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.543 -0.266 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.615 -1.684 2.347 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.407 3.177 1.737 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.566 4.017 1.977 1.00 0.00 C ATOM 1126 C ARG A 72 -14.737 3.180 2.482 1.00 0.00 C ATOM 1127 O ARG A 72 -14.703 1.953 2.415 1.00 0.00 O ATOM 1128 CB ARG A 72 -13.949 4.720 0.674 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.256 3.679 -0.403 1.00 0.00 C ATOM 1130 CD ARG A 72 -14.692 4.372 -1.692 1.00 0.00 C ATOM 1131 NE ARG A 72 -15.970 5.063 -1.514 1.00 0.00 N ATOM 1132 CZ ARG A 72 -16.641 5.638 -2.521 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.132 5.625 -3.760 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -17.824 6.218 -2.291 1.00 0.00 N ATOM 0 H ARG A 72 -12.208 3.028 0.748 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.322 4.758 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.818 5.357 0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.136 5.367 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.374 3.067 -0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.042 3.008 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.929 5.087 -2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.781 3.636 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.370 5.109 -0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.233 5.177 -3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.644 6.063 -4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.215 6.223 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.335 6.656 -3.058 1.00 0.00 H new ATOM 1148 N LEU A 73 -15.790 3.855 2.951 1.00 0.00 N ATOM 1149 CA LEU A 73 -17.010 3.201 3.391 1.00 0.00 C ATOM 1150 C LEU A 73 -17.919 2.962 2.191 1.00 0.00 C ATOM 1151 O LEU A 73 -17.668 3.486 1.107 1.00 0.00 O ATOM 1152 CB LEU A 73 -17.720 4.085 4.417 1.00 0.00 C ATOM 1153 CG LEU A 73 -16.858 4.266 5.667 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -17.537 5.258 6.607 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -16.690 2.928 6.386 1.00 0.00 C ATOM 0 H LEU A 73 -15.813 4.871 3.034 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.767 2.243 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.938 5.058 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.675 3.637 4.690 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.878 4.641 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.926 5.390 7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.653 6.217 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.518 4.877 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.075 3.067 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.668 2.547 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.207 2.214 5.719 1.00 0.00 H new ATOM 1167 N ARG A 74 -18.987 2.182 2.388 1.00 0.00 N ATOM 1168 CA ARG A 74 -19.948 1.924 1.330 1.00 0.00 C ATOM 1169 C ARG A 74 -20.749 3.191 1.048 1.00 0.00 C ATOM 1170 O ARG A 74 -21.149 3.434 -0.088 1.00 0.00 O ATOM 1171 CB ARG A 74 -20.866 0.768 1.734 1.00 0.00 C ATOM 1172 CG ARG A 74 -21.636 0.279 0.507 1.00 0.00 C ATOM 1173 CD ARG A 74 -22.433 -0.982 0.842 1.00 0.00 C ATOM 1174 NE ARG A 74 -23.550 -0.683 1.739 1.00 0.00 N ATOM 1175 CZ ARG A 74 -24.466 -1.587 2.111 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -24.359 -2.859 1.704 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -25.497 -1.216 2.880 1.00 0.00 N ATOM 0 H ARG A 74 -19.201 1.722 3.273 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.425 1.638 0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.278 -0.047 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -21.561 1.094 2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -22.311 1.061 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.941 0.072 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -22.812 -1.430 -0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.776 -1.717 1.308 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.636 0.267 2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -23.579 -3.140 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -25.057 -3.546 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -25.585 -0.246 3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -26.195 -1.904 3.164 1.00 0.00 H new ATOM 1191 N GLY A 75 -20.984 3.995 2.090 1.00 0.00 N ATOM 1192 CA GLY A 75 -21.694 5.256 1.965 1.00 0.00 C ATOM 1193 C GLY A 75 -23.147 5.108 2.402 1.00 0.00 C ATOM 1194 O GLY A 75 -23.863 6.100 2.520 1.00 0.00 O ATOM 0 H GLY A 75 -20.684 3.783 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.203 6.016 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -21.654 5.599 0.931 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.572 3.873 2.674 1.00 0.00 N ATOM 1199 CA GLY A 76 -24.931 3.601 3.100 1.00 0.00 C ATOM 1200 C GLY A 76 -25.232 2.123 2.919 1.00 0.00 C ATOM 1201 O GLY A 76 -24.856 1.601 1.849 1.00 0.00 O ATOM 0 H GLY A 76 -22.983 3.044 2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -25.060 3.884 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.632 4.200 2.519 1.00 0.00 H new TER 1205 GLY A 76