USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -68:sc= 2.22 USER MOD Set 1.2: A 57 SER OG : rot 22:sc= 0.909 USER MOD Set 2.1: A 22 THR OG1 : rot -38:sc= 1.2 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.1 K(o=2.3,f=-3!) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.27 (180deg=-0.922) USER MOD Single : A 1 MET N :NH3+ 163:sc= 2.41 (180deg=2.09) USER MOD Single : A 2 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -86:sc= 1.31 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= 1.29 (180deg=0.0819) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -65:sc= 1.2 USER MOD Single : A 27 LYS NZ :NH3+ -100:sc= 1.29 (180deg=0.377) USER MOD Single : A 29 LYS NZ :NH3+ 137:sc= 0.355 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= 0.278 K(o=0.28,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.15 K(o=-0.15,f=-2.1!) USER MOD Single : A 59 TYR OH : rot 168:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.796 K(o=-0.8,f=-6.7!) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0.953) USER MOD Single : A 65 SER OG : rot -140:sc= 0.0902 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.633 K(o=-0.63,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.841 31.017 16.255 1.00 0.00 N ATOM 2 CA MET A 1 13.727 31.302 17.696 1.00 0.00 C ATOM 3 C MET A 1 15.156 31.543 18.201 1.00 0.00 C ATOM 4 O MET A 1 16.077 30.879 17.738 1.00 0.00 O ATOM 5 CB MET A 1 13.066 30.102 18.363 1.00 0.00 C ATOM 6 CG MET A 1 13.653 28.713 18.074 1.00 0.00 C ATOM 7 SD MET A 1 12.754 27.368 18.866 1.00 0.00 S ATOM 8 CE MET A 1 14.157 26.302 19.274 1.00 0.00 C ATOM 0 H1 MET A 1 12.964 30.570 15.919 1.00 0.00 H new ATOM 0 H2 MET A 1 13.997 31.905 15.737 1.00 0.00 H new ATOM 0 H3 MET A 1 14.642 30.375 16.090 1.00 0.00 H new ATOM 0 HA MET A 1 13.117 32.177 17.920 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.093 30.260 19.441 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.016 30.091 18.069 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.660 28.548 16.997 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.691 28.690 18.407 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.812 25.275 19.389 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.895 26.349 18.473 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.611 26.639 20.206 1.00 0.00 H new ATOM 20 N GLN A 2 15.360 32.415 19.191 1.00 0.00 N ATOM 21 CA GLN A 2 16.669 32.725 19.742 1.00 0.00 C ATOM 22 C GLN A 2 17.124 31.708 20.787 1.00 0.00 C ATOM 23 O GLN A 2 16.237 31.282 21.524 1.00 0.00 O ATOM 24 CB GLN A 2 16.631 34.134 20.321 1.00 0.00 C ATOM 25 CG GLN A 2 15.835 34.290 21.611 1.00 0.00 C ATOM 26 CD GLN A 2 15.703 35.689 22.195 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.913 35.913 23.102 1.00 0.00 O ATOM 28 NE2 GLN A 2 16.351 36.720 21.653 1.00 0.00 N ATOM 0 H GLN A 2 14.602 32.932 19.636 1.00 0.00 H new ATOM 0 HA GLN A 2 17.404 32.672 18.939 1.00 0.00 H new ATOM 0 HB2 GLN A 2 17.655 34.461 20.504 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.211 34.805 19.572 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.831 33.904 21.435 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.293 33.653 22.367 1.00 0.00 H new ATOM 0 HE21 GLN A 2 17.016 36.563 20.895 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.182 37.666 21.996 1.00 0.00 H new ATOM 37 N ILE A 3 18.413 31.465 21.014 1.00 0.00 N ATOM 38 CA ILE A 3 18.979 30.819 22.171 1.00 0.00 C ATOM 39 C ILE A 3 20.273 31.537 22.575 1.00 0.00 C ATOM 40 O ILE A 3 20.935 32.078 21.695 1.00 0.00 O ATOM 41 CB ILE A 3 19.070 29.298 21.980 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.120 28.836 20.975 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.732 28.599 21.728 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.299 27.328 20.840 1.00 0.00 C ATOM 0 H ILE A 3 19.130 31.737 20.341 1.00 0.00 H new ATOM 0 HA ILE A 3 18.318 30.915 23.032 1.00 0.00 H new ATOM 0 HB ILE A 3 19.414 28.974 22.962 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.860 29.240 19.997 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.079 29.272 21.255 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.898 27.529 21.606 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.068 28.769 22.575 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.276 29.001 20.823 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.070 27.118 20.099 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.596 26.909 21.801 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.359 26.877 20.523 1.00 0.00 H new ATOM 56 N PHE A 4 20.609 31.544 23.866 1.00 0.00 N ATOM 57 CA PHE A 4 21.712 32.318 24.393 1.00 0.00 C ATOM 58 C PHE A 4 22.794 31.262 24.659 1.00 0.00 C ATOM 59 O PHE A 4 22.550 30.274 25.348 1.00 0.00 O ATOM 60 CB PHE A 4 21.398 32.979 25.733 1.00 0.00 C ATOM 61 CG PHE A 4 20.390 34.098 25.658 1.00 0.00 C ATOM 62 CD1 PHE A 4 19.320 34.150 24.749 1.00 0.00 C ATOM 63 CD2 PHE A 4 20.591 35.131 26.584 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.477 35.269 24.767 1.00 0.00 C ATOM 65 CE2 PHE A 4 19.713 36.213 26.641 1.00 0.00 C ATOM 66 CZ PHE A 4 18.677 36.294 25.704 1.00 0.00 C ATOM 0 H PHE A 4 20.112 31.004 24.575 1.00 0.00 H new ATOM 0 HA PHE A 4 21.978 33.116 23.699 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.027 32.219 26.421 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.323 33.369 26.157 1.00 0.00 H new ATOM 0 HD1 PHE A 4 19.151 33.344 24.051 1.00 0.00 H new ATOM 0 HD2 PHE A 4 21.433 35.089 27.259 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.668 35.343 24.055 1.00 0.00 H new ATOM 0 HE2 PHE A 4 19.831 36.976 27.396 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.024 37.155 25.702 1.00 0.00 H new ATOM 76 N VAL A 5 23.973 31.515 24.088 1.00 0.00 N ATOM 77 CA VAL A 5 25.232 30.805 24.277 1.00 0.00 C ATOM 78 C VAL A 5 26.081 31.601 25.265 1.00 0.00 C ATOM 79 O VAL A 5 26.447 32.750 25.028 1.00 0.00 O ATOM 80 CB VAL A 5 25.814 30.790 22.863 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.184 30.133 22.683 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.860 30.025 21.933 1.00 0.00 C ATOM 0 H VAL A 5 24.076 32.286 23.428 1.00 0.00 H new ATOM 0 HA VAL A 5 25.158 29.798 24.688 1.00 0.00 H new ATOM 0 HB VAL A 5 25.936 31.848 22.630 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.480 30.190 21.636 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.920 30.652 23.297 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.129 29.088 22.988 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.270 30.011 20.923 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.744 29.002 22.292 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.888 30.518 21.923 1.00 0.00 H new ATOM 92 N LYS A 6 26.230 30.953 26.412 1.00 0.00 N ATOM 93 CA LYS A 6 27.215 31.336 27.414 1.00 0.00 C ATOM 94 C LYS A 6 28.641 31.031 26.939 1.00 0.00 C ATOM 95 O LYS A 6 28.858 29.982 26.346 1.00 0.00 O ATOM 96 CB LYS A 6 26.920 30.560 28.695 1.00 0.00 C ATOM 97 CG LYS A 6 27.695 30.984 29.944 1.00 0.00 C ATOM 98 CD LYS A 6 27.225 30.170 31.158 1.00 0.00 C ATOM 99 CE LYS A 6 28.048 30.445 32.408 1.00 0.00 C ATOM 100 NZ LYS A 6 27.466 29.949 33.665 1.00 0.00 N ATOM 0 H LYS A 6 25.668 30.143 26.675 1.00 0.00 H new ATOM 0 HA LYS A 6 27.148 32.410 27.589 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.855 30.647 28.909 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.123 29.505 28.509 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.763 30.834 29.787 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.547 32.048 30.130 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.179 30.399 31.360 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.279 29.108 30.920 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.033 29.996 32.281 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.197 31.521 32.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.098 30.184 34.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.539 30.395 33.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.349 28.917 33.610 1.00 0.00 H new ATOM 114 N THR A 7 29.655 31.795 27.335 1.00 0.00 N ATOM 115 CA THR A 7 31.035 31.537 26.997 1.00 0.00 C ATOM 116 C THR A 7 31.850 31.353 28.279 1.00 0.00 C ATOM 117 O THR A 7 31.304 31.194 29.365 1.00 0.00 O ATOM 118 CB THR A 7 31.635 32.715 26.220 1.00 0.00 C ATOM 119 OG1 THR A 7 31.800 33.838 27.064 1.00 0.00 O ATOM 120 CG2 THR A 7 30.904 33.161 24.956 1.00 0.00 C ATOM 0 H THR A 7 29.528 32.627 27.912 1.00 0.00 H new ATOM 0 HA THR A 7 31.070 30.638 26.382 1.00 0.00 H new ATOM 0 HB THR A 7 32.587 32.313 25.872 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.965 34.350 27.094 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.434 34.000 24.506 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.866 32.334 24.247 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.890 33.467 25.211 1.00 0.00 H new ATOM 128 N LEU A 8 33.176 31.373 28.147 1.00 0.00 N ATOM 129 CA LEU A 8 34.021 31.548 29.306 1.00 0.00 C ATOM 130 C LEU A 8 35.201 32.408 28.862 1.00 0.00 C ATOM 131 O LEU A 8 36.329 32.274 29.337 1.00 0.00 O ATOM 132 CB LEU A 8 34.476 30.286 30.047 1.00 0.00 C ATOM 133 CG LEU A 8 34.983 29.257 29.028 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.469 28.951 29.188 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.087 28.025 29.141 1.00 0.00 C ATOM 0 H LEU A 8 33.672 31.271 27.262 1.00 0.00 H new ATOM 0 HA LEU A 8 33.411 32.027 30.072 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.266 30.532 30.757 1.00 0.00 H new ATOM 0 HB3 LEU A 8 33.649 29.869 30.622 1.00 0.00 H new ATOM 0 HG LEU A 8 34.915 29.660 28.018 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.772 28.217 28.441 1.00 0.00 H new ATOM 0 HD12 LEU A 8 37.046 29.866 29.052 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.653 28.551 30.185 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.417 27.268 28.429 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.147 27.623 30.152 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.056 28.303 28.922 1.00 0.00 H new ATOM 147 N THR A 9 34.846 33.423 28.071 1.00 0.00 N ATOM 148 CA THR A 9 35.695 34.457 27.525 1.00 0.00 C ATOM 149 C THR A 9 34.925 35.784 27.599 1.00 0.00 C ATOM 150 O THR A 9 35.142 36.707 26.819 1.00 0.00 O ATOM 151 CB THR A 9 36.218 34.003 26.166 1.00 0.00 C ATOM 152 OG1 THR A 9 35.185 34.196 25.220 1.00 0.00 O ATOM 153 CG2 THR A 9 36.873 32.644 25.882 1.00 0.00 C ATOM 0 H THR A 9 33.876 33.543 27.779 1.00 0.00 H new ATOM 0 HA THR A 9 36.607 34.640 28.093 1.00 0.00 H new ATOM 0 HB THR A 9 37.111 34.626 26.115 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.495 33.913 24.334 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.151 32.587 24.830 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.765 32.534 26.499 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.169 31.845 26.115 1.00 0.00 H new ATOM 161 N GLY A 10 33.979 35.981 28.517 1.00 0.00 N ATOM 162 CA GLY A 10 33.608 37.284 29.036 1.00 0.00 C ATOM 163 C GLY A 10 32.394 37.983 28.416 1.00 0.00 C ATOM 164 O GLY A 10 32.251 39.162 28.720 1.00 0.00 O ATOM 0 H GLY A 10 33.441 35.217 28.926 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.423 37.178 30.105 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.467 37.945 28.925 1.00 0.00 H new ATOM 168 N LYS A 11 31.533 37.275 27.684 1.00 0.00 N ATOM 169 CA LYS A 11 30.317 37.791 27.077 1.00 0.00 C ATOM 170 C LYS A 11 29.306 36.660 26.881 1.00 0.00 C ATOM 171 O LYS A 11 29.559 35.466 27.037 1.00 0.00 O ATOM 172 CB LYS A 11 30.574 38.594 25.800 1.00 0.00 C ATOM 173 CG LYS A 11 31.198 37.879 24.597 1.00 0.00 C ATOM 174 CD LYS A 11 31.565 38.869 23.488 1.00 0.00 C ATOM 175 CE LYS A 11 31.744 38.068 22.198 1.00 0.00 C ATOM 176 NZ LYS A 11 32.049 38.887 21.007 1.00 0.00 N ATOM 0 H LYS A 11 31.675 36.283 27.493 1.00 0.00 H new ATOM 0 HA LYS A 11 29.882 38.513 27.768 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.622 39.016 25.477 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.222 39.431 26.060 1.00 0.00 H new ATOM 0 HG2 LYS A 11 32.090 37.339 24.915 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.499 37.138 24.209 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.782 39.618 23.369 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.482 39.403 23.738 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.547 37.345 22.342 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.834 37.499 22.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.585 38.474 20.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.700 39.856 21.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.078 38.909 20.855 1.00 0.00 H new ATOM 190 N THR A 12 28.100 37.032 26.495 1.00 0.00 N ATOM 191 CA THR A 12 26.929 36.258 26.139 1.00 0.00 C ATOM 192 C THR A 12 26.643 36.448 24.645 1.00 0.00 C ATOM 193 O THR A 12 26.488 37.620 24.298 1.00 0.00 O ATOM 194 CB THR A 12 25.728 36.517 27.063 1.00 0.00 C ATOM 195 OG1 THR A 12 26.164 36.242 28.374 1.00 0.00 O ATOM 196 CG2 THR A 12 24.487 35.679 26.782 1.00 0.00 C ATOM 0 H THR A 12 27.893 38.028 26.413 1.00 0.00 H new ATOM 0 HA THR A 12 27.133 35.200 26.302 1.00 0.00 H new ATOM 0 HB THR A 12 25.416 37.549 26.899 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.428 36.396 29.003 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.702 35.942 27.491 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.139 35.873 25.767 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.731 34.622 26.886 1.00 0.00 H new ATOM 204 N ILE A 13 26.501 35.367 23.884 1.00 0.00 N ATOM 205 CA ILE A 13 26.129 35.372 22.484 1.00 0.00 C ATOM 206 C ILE A 13 24.684 34.885 22.404 1.00 0.00 C ATOM 207 O ILE A 13 24.308 33.849 22.955 1.00 0.00 O ATOM 208 CB ILE A 13 27.083 34.556 21.613 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.553 34.992 21.594 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.622 34.365 20.171 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.504 34.061 20.850 1.00 0.00 C ATOM 0 H ILE A 13 26.650 34.426 24.248 1.00 0.00 H new ATOM 0 HA ILE A 13 26.206 36.381 22.079 1.00 0.00 H new ATOM 0 HB ILE A 13 27.039 33.605 22.144 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.614 35.982 21.142 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.898 35.089 22.623 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.360 33.775 19.628 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.664 33.846 20.161 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.512 35.338 19.692 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.517 34.462 20.897 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.482 33.074 21.312 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.194 33.981 19.808 1.00 0.00 H new ATOM 223 N THR A 14 23.926 35.702 21.687 1.00 0.00 N ATOM 224 CA THR A 14 22.585 35.332 21.297 1.00 0.00 C ATOM 225 C THR A 14 22.743 35.051 19.805 1.00 0.00 C ATOM 226 O THR A 14 23.487 35.763 19.129 1.00 0.00 O ATOM 227 CB THR A 14 21.670 36.531 21.564 1.00 0.00 C ATOM 228 OG1 THR A 14 21.717 36.692 22.961 1.00 0.00 O ATOM 229 CG2 THR A 14 20.196 36.336 21.196 1.00 0.00 C ATOM 0 H THR A 14 24.222 36.624 21.366 1.00 0.00 H new ATOM 0 HA THR A 14 22.153 34.483 21.827 1.00 0.00 H new ATOM 0 HB THR A 14 22.018 37.367 20.957 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.153 37.449 23.222 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.640 37.245 21.426 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.112 36.119 20.131 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.785 35.505 21.769 1.00 0.00 H new ATOM 237 N LEU A 15 22.113 33.965 19.375 1.00 0.00 N ATOM 238 CA LEU A 15 22.070 33.424 18.031 1.00 0.00 C ATOM 239 C LEU A 15 20.584 33.192 17.730 1.00 0.00 C ATOM 240 O LEU A 15 19.818 32.961 18.667 1.00 0.00 O ATOM 241 CB LEU A 15 22.944 32.167 18.070 1.00 0.00 C ATOM 242 CG LEU A 15 23.901 32.022 16.880 1.00 0.00 C ATOM 243 CD1 LEU A 15 25.004 33.076 16.822 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.397 30.579 16.851 1.00 0.00 C ATOM 0 H LEU A 15 21.571 33.391 20.021 1.00 0.00 H new ATOM 0 HA LEU A 15 22.459 34.056 17.233 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.527 32.174 18.991 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.297 31.291 18.109 1.00 0.00 H new ATOM 0 HG LEU A 15 23.358 32.228 15.958 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.633 32.897 15.950 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.557 34.067 16.749 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.611 33.017 17.725 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.081 30.446 16.013 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.916 30.354 17.783 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.548 29.905 16.737 1.00 0.00 H new ATOM 256 N GLU A 16 20.211 33.071 16.460 1.00 0.00 N ATOM 257 CA GLU A 16 18.937 32.720 15.885 1.00 0.00 C ATOM 258 C GLU A 16 19.128 31.255 15.480 1.00 0.00 C ATOM 259 O GLU A 16 20.158 30.837 14.949 1.00 0.00 O ATOM 260 CB GLU A 16 18.577 33.576 14.676 1.00 0.00 C ATOM 261 CG GLU A 16 17.181 33.340 14.084 1.00 0.00 C ATOM 262 CD GLU A 16 16.039 33.635 15.040 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.049 34.619 15.811 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.010 32.944 14.881 1.00 0.00 O ATOM 0 H GLU A 16 20.894 33.242 15.721 1.00 0.00 H new ATOM 0 HA GLU A 16 18.116 32.881 16.584 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.658 34.625 14.960 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.317 33.399 13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.066 33.962 13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.108 32.302 13.758 1.00 0.00 H new ATOM 271 N VAL A 17 18.121 30.416 15.696 1.00 0.00 N ATOM 272 CA VAL A 17 18.116 28.994 15.404 1.00 0.00 C ATOM 273 C VAL A 17 16.678 28.561 15.103 1.00 0.00 C ATOM 274 O VAL A 17 15.720 29.313 15.294 1.00 0.00 O ATOM 275 CB VAL A 17 18.690 28.245 16.604 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.208 28.273 16.806 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.932 28.443 17.919 1.00 0.00 C ATOM 0 H VAL A 17 17.240 30.731 16.102 1.00 0.00 H new ATOM 0 HA VAL A 17 18.732 28.767 14.534 1.00 0.00 H new ATOM 0 HB VAL A 17 18.498 27.223 16.276 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.467 27.700 17.696 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.699 27.836 15.937 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.540 29.304 16.929 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.418 27.870 18.709 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.933 29.500 18.184 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.904 28.099 17.802 1.00 0.00 H new ATOM 287 N GLU A 18 16.535 27.361 14.545 1.00 0.00 N ATOM 288 CA GLU A 18 15.302 26.794 14.045 1.00 0.00 C ATOM 289 C GLU A 18 15.243 25.321 14.458 1.00 0.00 C ATOM 290 O GLU A 18 16.290 24.682 14.485 1.00 0.00 O ATOM 291 CB GLU A 18 15.205 27.057 12.541 1.00 0.00 C ATOM 292 CG GLU A 18 13.793 27.260 11.977 1.00 0.00 C ATOM 293 CD GLU A 18 13.094 25.970 11.555 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.713 24.895 11.715 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.107 26.228 10.823 1.00 0.00 O ATOM 0 H GLU A 18 17.327 26.729 14.427 1.00 0.00 H new ATOM 0 HA GLU A 18 14.418 27.263 14.478 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.797 27.943 12.310 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.666 26.220 12.017 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.183 27.761 12.728 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.850 27.927 11.117 1.00 0.00 H new ATOM 302 N PRO A 19 14.109 24.727 14.822 1.00 0.00 N ATOM 303 CA PRO A 19 14.040 23.332 15.218 1.00 0.00 C ATOM 304 C PRO A 19 14.647 22.226 14.350 1.00 0.00 C ATOM 305 O PRO A 19 15.170 21.261 14.907 1.00 0.00 O ATOM 306 CB PRO A 19 12.609 23.021 15.629 1.00 0.00 C ATOM 307 CG PRO A 19 11.915 24.380 15.709 1.00 0.00 C ATOM 308 CD PRO A 19 12.816 25.365 14.966 1.00 0.00 C ATOM 0 HA PRO A 19 14.756 23.283 16.038 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.122 22.372 14.902 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.577 22.505 16.589 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.925 24.339 15.254 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.777 24.686 16.746 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.397 25.612 13.991 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.906 26.299 15.520 1.00 0.00 H new ATOM 316 N SER A 20 14.555 22.453 13.046 1.00 0.00 N ATOM 317 CA SER A 20 14.970 21.445 12.079 1.00 0.00 C ATOM 318 C SER A 20 16.422 21.636 11.634 1.00 0.00 C ATOM 319 O SER A 20 16.919 20.817 10.859 1.00 0.00 O ATOM 320 CB SER A 20 13.998 21.460 10.910 1.00 0.00 C ATOM 321 OG SER A 20 13.839 22.705 10.251 1.00 0.00 O ATOM 0 H SER A 20 14.200 23.317 12.636 1.00 0.00 H new ATOM 0 HA SER A 20 14.941 20.462 12.550 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.329 20.723 10.178 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.022 21.135 11.270 1.00 0.00 H new ATOM 0 HG SER A 20 13.433 23.351 10.866 1.00 0.00 H new ATOM 327 N ASP A 21 17.143 22.655 12.083 1.00 0.00 N ATOM 328 CA ASP A 21 18.570 22.865 11.914 1.00 0.00 C ATOM 329 C ASP A 21 19.329 21.911 12.838 1.00 0.00 C ATOM 330 O ASP A 21 18.969 21.554 13.955 1.00 0.00 O ATOM 331 CB ASP A 21 18.946 24.326 12.131 1.00 0.00 C ATOM 332 CG ASP A 21 18.755 25.285 10.964 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.187 24.818 9.956 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.129 26.470 11.063 1.00 0.00 O ATOM 0 H ASP A 21 16.711 23.411 12.614 1.00 0.00 H new ATOM 0 HA ASP A 21 18.855 22.638 10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.364 24.701 12.973 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.994 24.362 12.427 1.00 0.00 H new ATOM 339 N THR A 22 20.429 21.390 12.316 1.00 0.00 N ATOM 340 CA THR A 22 21.372 20.527 13.002 1.00 0.00 C ATOM 341 C THR A 22 22.264 21.320 13.950 1.00 0.00 C ATOM 342 O THR A 22 22.158 22.541 14.013 1.00 0.00 O ATOM 343 CB THR A 22 22.076 19.599 12.002 1.00 0.00 C ATOM 344 OG1 THR A 22 23.024 20.280 11.214 1.00 0.00 O ATOM 345 CG2 THR A 22 21.225 18.812 11.012 1.00 0.00 C ATOM 0 H THR A 22 20.700 21.569 11.349 1.00 0.00 H new ATOM 0 HA THR A 22 20.847 19.846 13.672 1.00 0.00 H new ATOM 0 HB THR A 22 22.507 18.882 12.701 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.682 21.170 10.987 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.872 18.206 10.377 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.540 18.163 11.557 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.654 19.504 10.393 1.00 0.00 H new ATOM 353 N ILE A 23 23.103 20.695 14.782 1.00 0.00 N ATOM 354 CA ILE A 23 24.164 21.141 15.657 1.00 0.00 C ATOM 355 C ILE A 23 25.214 22.007 14.949 1.00 0.00 C ATOM 356 O ILE A 23 25.450 23.107 15.427 1.00 0.00 O ATOM 357 CB ILE A 23 24.945 20.003 16.315 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.163 18.766 16.750 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.845 20.479 17.454 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.987 19.229 17.600 1.00 0.00 C ATOM 0 H ILE A 23 23.025 19.681 14.858 1.00 0.00 H new ATOM 0 HA ILE A 23 23.621 21.716 16.407 1.00 0.00 H new ATOM 0 HB ILE A 23 25.551 19.660 15.477 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.810 18.213 15.880 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.802 18.091 17.319 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.373 19.626 17.881 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.568 21.198 17.070 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.237 20.952 18.225 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.410 18.363 17.925 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.358 19.766 18.473 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.350 19.889 17.011 1.00 0.00 H new ATOM 372 N GLU A 24 25.682 21.570 13.783 1.00 0.00 N ATOM 373 CA GLU A 24 26.514 22.295 12.846 1.00 0.00 C ATOM 374 C GLU A 24 25.989 23.708 12.574 1.00 0.00 C ATOM 375 O GLU A 24 26.865 24.573 12.632 1.00 0.00 O ATOM 376 CB GLU A 24 26.559 21.541 11.516 1.00 0.00 C ATOM 377 CG GLU A 24 27.546 21.784 10.377 1.00 0.00 C ATOM 378 CD GLU A 24 29.022 21.629 10.707 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.293 20.871 11.669 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.839 22.422 10.209 1.00 0.00 O ATOM 0 H GLU A 24 25.470 20.629 13.450 1.00 0.00 H new ATOM 0 HA GLU A 24 27.505 22.375 13.292 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.667 20.489 11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.569 21.660 11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.305 21.097 9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.386 22.793 9.998 1.00 0.00 H new ATOM 387 N ASN A 25 24.689 23.931 12.402 1.00 0.00 N ATOM 388 CA ASN A 25 24.008 25.192 12.229 1.00 0.00 C ATOM 389 C ASN A 25 24.166 26.207 13.368 1.00 0.00 C ATOM 390 O ASN A 25 24.143 27.410 13.131 1.00 0.00 O ATOM 391 CB ASN A 25 22.568 25.027 11.748 1.00 0.00 C ATOM 392 CG ASN A 25 22.322 24.095 10.566 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.473 22.881 10.686 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.736 24.613 9.492 1.00 0.00 N ATOM 0 H ASN A 25 24.031 23.152 12.380 1.00 0.00 H new ATOM 0 HA ASN A 25 24.555 25.667 11.415 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.972 24.670 12.588 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.187 26.013 11.483 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.402 24.000 8.748 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.620 25.623 9.412 1.00 0.00 H new ATOM 401 N VAL A 26 24.299 25.776 14.618 1.00 0.00 N ATOM 402 CA VAL A 26 24.753 26.603 15.724 1.00 0.00 C ATOM 403 C VAL A 26 26.212 27.026 15.523 1.00 0.00 C ATOM 404 O VAL A 26 26.526 28.213 15.572 1.00 0.00 O ATOM 405 CB VAL A 26 24.527 25.854 17.042 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.976 26.691 18.240 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.073 25.436 17.264 1.00 0.00 C ATOM 0 H VAL A 26 24.088 24.817 14.894 1.00 0.00 H new ATOM 0 HA VAL A 26 24.172 27.525 15.762 1.00 0.00 H new ATOM 0 HB VAL A 26 25.131 24.950 16.960 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.803 26.132 19.160 1.00 0.00 H new ATOM 0 HG12 VAL A 26 26.038 26.918 18.148 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.408 27.621 18.268 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.987 24.911 18.215 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.438 26.322 17.279 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.757 24.777 16.456 1.00 0.00 H new ATOM 417 N LYS A 27 27.115 26.079 15.321 1.00 0.00 N ATOM 418 CA LYS A 27 28.557 26.214 15.266 1.00 0.00 C ATOM 419 C LYS A 27 29.061 26.916 13.999 1.00 0.00 C ATOM 420 O LYS A 27 30.017 27.692 13.939 1.00 0.00 O ATOM 421 CB LYS A 27 29.211 24.836 15.347 1.00 0.00 C ATOM 422 CG LYS A 27 28.935 24.063 16.633 1.00 0.00 C ATOM 423 CD LYS A 27 29.641 22.709 16.703 1.00 0.00 C ATOM 424 CE LYS A 27 29.272 21.796 15.534 1.00 0.00 C ATOM 425 NZ LYS A 27 29.976 20.527 15.747 1.00 0.00 N ATOM 0 H LYS A 27 26.828 25.111 15.179 1.00 0.00 H new ATOM 0 HA LYS A 27 28.833 26.836 16.117 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.869 24.239 14.502 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.289 24.956 15.238 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.246 24.669 17.484 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.860 23.907 16.729 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.720 22.865 16.711 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.383 22.216 17.640 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.194 21.638 15.493 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.565 22.246 14.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.830 20.500 15.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.247 20.444 16.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.351 19.736 15.490 1.00 0.00 H new ATOM 439 N ALA A 28 28.228 26.843 12.962 1.00 0.00 N ATOM 440 CA ALA A 28 28.450 27.548 11.726 1.00 0.00 C ATOM 441 C ALA A 28 28.193 29.050 11.923 1.00 0.00 C ATOM 442 O ALA A 28 29.016 29.862 11.507 1.00 0.00 O ATOM 443 CB ALA A 28 27.680 26.900 10.575 1.00 0.00 C ATOM 0 H ALA A 28 27.375 26.284 12.969 1.00 0.00 H new ATOM 0 HA ALA A 28 29.496 27.467 11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 28 27.867 27.454 9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.010 25.869 10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.613 26.915 10.797 1.00 0.00 H new ATOM 449 N LYS A 29 27.097 29.452 12.554 1.00 0.00 N ATOM 450 CA LYS A 29 26.649 30.811 12.773 1.00 0.00 C ATOM 451 C LYS A 29 27.497 31.465 13.862 1.00 0.00 C ATOM 452 O LYS A 29 27.694 32.677 13.860 1.00 0.00 O ATOM 453 CB LYS A 29 25.175 30.786 13.148 1.00 0.00 C ATOM 454 CG LYS A 29 24.207 30.342 12.046 1.00 0.00 C ATOM 455 CD LYS A 29 22.776 30.264 12.571 1.00 0.00 C ATOM 456 CE LYS A 29 21.701 29.974 11.524 1.00 0.00 C ATOM 457 NZ LYS A 29 20.329 29.785 12.025 1.00 0.00 N ATOM 0 H LYS A 29 26.449 28.775 12.957 1.00 0.00 H new ATOM 0 HA LYS A 29 26.766 31.403 11.865 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.050 30.122 14.003 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.887 31.785 13.476 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.254 31.042 11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.510 29.368 11.662 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.731 29.489 13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.536 31.208 13.060 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.692 30.795 10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.991 29.077 10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.661 30.290 11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.098 28.771 12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.258 30.160 12.992 1.00 0.00 H new ATOM 471 N ILE A 30 28.063 30.720 14.815 1.00 0.00 N ATOM 472 CA ILE A 30 29.047 31.175 15.771 1.00 0.00 C ATOM 473 C ILE A 30 30.323 31.461 14.977 1.00 0.00 C ATOM 474 O ILE A 30 30.873 32.532 15.205 1.00 0.00 O ATOM 475 CB ILE A 30 29.287 30.198 16.924 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.027 30.127 17.787 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.393 30.644 17.865 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.131 28.973 18.784 1.00 0.00 C ATOM 0 H ILE A 30 27.828 29.735 14.938 1.00 0.00 H new ATOM 0 HA ILE A 30 28.684 32.073 16.271 1.00 0.00 H new ATOM 0 HB ILE A 30 29.558 29.248 16.463 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.891 31.067 18.322 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.151 29.991 17.153 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.513 29.908 18.660 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.327 30.735 17.311 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.133 31.609 18.300 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.227 28.935 19.392 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.245 28.034 18.243 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.996 29.127 19.429 1.00 0.00 H new ATOM 490 N GLN A 31 30.856 30.628 14.077 1.00 0.00 N ATOM 491 CA GLN A 31 31.997 30.820 13.219 1.00 0.00 C ATOM 492 C GLN A 31 31.819 32.151 12.495 1.00 0.00 C ATOM 493 O GLN A 31 32.770 32.938 12.484 1.00 0.00 O ATOM 494 CB GLN A 31 32.278 29.601 12.348 1.00 0.00 C ATOM 495 CG GLN A 31 33.588 29.582 11.559 1.00 0.00 C ATOM 496 CD GLN A 31 33.673 28.467 10.524 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.712 27.793 10.180 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.903 28.313 10.046 1.00 0.00 N ATOM 0 H GLN A 31 30.443 29.708 13.927 1.00 0.00 H new ATOM 0 HA GLN A 31 32.920 30.897 13.793 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.258 28.719 12.988 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.457 29.498 11.639 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.711 30.541 11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.419 29.480 12.257 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.658 28.912 10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.092 27.596 9.346 1.00 0.00 H new ATOM 507 N ASP A 32 30.676 32.388 11.847 1.00 0.00 N ATOM 508 CA ASP A 32 30.385 33.626 11.138 1.00 0.00 C ATOM 509 C ASP A 32 30.703 34.921 11.879 1.00 0.00 C ATOM 510 O ASP A 32 31.456 35.727 11.337 1.00 0.00 O ATOM 511 CB ASP A 32 28.995 33.483 10.498 1.00 0.00 C ATOM 512 CG ASP A 32 28.537 34.770 9.825 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.222 35.821 10.431 1.00 0.00 O ATOM 514 OD2 ASP A 32 28.318 34.607 8.600 1.00 0.00 O ATOM 0 H ASP A 32 29.916 31.709 11.802 1.00 0.00 H new ATOM 0 HA ASP A 32 31.105 33.763 10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.016 32.678 9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.272 33.198 11.263 1.00 0.00 H new ATOM 519 N LYS A 33 30.199 34.945 13.113 1.00 0.00 N ATOM 520 CA LYS A 33 30.248 36.126 13.954 1.00 0.00 C ATOM 521 C LYS A 33 31.610 36.174 14.646 1.00 0.00 C ATOM 522 O LYS A 33 32.233 37.235 14.611 1.00 0.00 O ATOM 523 CB LYS A 33 29.207 36.080 15.081 1.00 0.00 C ATOM 524 CG LYS A 33 27.783 36.247 14.552 1.00 0.00 C ATOM 525 CD LYS A 33 26.712 36.302 15.639 1.00 0.00 C ATOM 526 CE LYS A 33 26.035 37.662 15.853 1.00 0.00 C ATOM 527 NZ LYS A 33 26.928 38.529 16.627 1.00 0.00 N ATOM 0 H LYS A 33 29.747 34.143 13.551 1.00 0.00 H new ATOM 0 HA LYS A 33 30.059 36.986 13.311 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.288 35.131 15.611 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.420 36.868 15.804 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.732 37.162 13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.559 35.420 13.879 1.00 0.00 H new ATOM 0 HD2 LYS A 33 25.941 35.570 15.398 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.164 35.992 16.581 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.805 38.122 14.892 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.089 37.532 16.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.473 39.453 16.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 27.126 38.089 17.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.819 38.661 16.108 1.00 0.00 H new ATOM 541 N GLU A 34 32.147 35.136 15.284 1.00 0.00 N ATOM 542 CA GLU A 34 33.225 35.234 16.253 1.00 0.00 C ATOM 543 C GLU A 34 34.525 34.727 15.640 1.00 0.00 C ATOM 544 O GLU A 34 35.590 34.898 16.218 1.00 0.00 O ATOM 545 CB GLU A 34 32.826 34.438 17.506 1.00 0.00 C ATOM 546 CG GLU A 34 31.638 35.016 18.277 1.00 0.00 C ATOM 547 CD GLU A 34 31.988 36.324 18.972 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.176 36.617 19.203 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.106 37.177 19.199 1.00 0.00 O ATOM 0 H GLU A 34 31.832 34.178 15.133 1.00 0.00 H new ATOM 0 HA GLU A 34 33.393 36.272 16.540 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.588 33.416 17.211 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.685 34.384 18.175 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.807 35.182 17.591 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.300 34.291 19.018 1.00 0.00 H new ATOM 556 N GLY A 35 34.487 34.019 14.510 1.00 0.00 N ATOM 557 CA GLY A 35 35.570 33.411 13.755 1.00 0.00 C ATOM 558 C GLY A 35 36.027 32.002 14.122 1.00 0.00 C ATOM 559 O GLY A 35 37.079 31.602 13.616 1.00 0.00 O ATOM 0 H GLY A 35 33.591 33.841 14.055 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.273 33.398 12.706 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.436 34.069 13.833 1.00 0.00 H new ATOM 563 N ILE A 36 35.422 31.346 15.105 1.00 0.00 N ATOM 564 CA ILE A 36 35.990 30.147 15.699 1.00 0.00 C ATOM 565 C ILE A 36 35.650 28.897 14.890 1.00 0.00 C ATOM 566 O ILE A 36 34.485 28.783 14.526 1.00 0.00 O ATOM 567 CB ILE A 36 35.492 30.108 17.149 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.723 31.403 17.938 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.075 28.886 17.859 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.000 31.417 19.289 1.00 0.00 C ATOM 0 H ILE A 36 34.529 31.630 15.509 1.00 0.00 H new ATOM 0 HA ILE A 36 37.080 30.169 15.691 1.00 0.00 H new ATOM 0 HB ILE A 36 34.406 30.019 17.107 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.792 31.536 18.103 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.385 32.251 17.342 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.720 28.860 18.889 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.758 27.980 17.343 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.163 28.946 17.852 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.202 32.358 19.800 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.927 31.314 19.128 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.356 30.588 19.901 1.00 0.00 H new ATOM 582 N PRO A 37 36.640 28.101 14.493 1.00 0.00 N ATOM 583 CA PRO A 37 36.391 26.952 13.629 1.00 0.00 C ATOM 584 C PRO A 37 35.746 25.815 14.426 1.00 0.00 C ATOM 585 O PRO A 37 35.940 25.735 15.638 1.00 0.00 O ATOM 586 CB PRO A 37 37.803 26.623 13.143 1.00 0.00 C ATOM 587 CG PRO A 37 38.767 27.045 14.238 1.00 0.00 C ATOM 588 CD PRO A 37 38.044 28.289 14.778 1.00 0.00 C ATOM 0 HA PRO A 37 35.696 27.128 12.808 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.900 25.557 12.936 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.022 27.150 12.214 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.893 26.275 14.999 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.759 27.277 13.851 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.211 28.401 15.849 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.419 29.194 14.301 1.00 0.00 H new ATOM 596 N PRO A 38 34.860 25.016 13.853 1.00 0.00 N ATOM 597 CA PRO A 38 33.954 24.149 14.572 1.00 0.00 C ATOM 598 C PRO A 38 34.489 22.884 15.254 1.00 0.00 C ATOM 599 O PRO A 38 33.857 22.458 16.217 1.00 0.00 O ATOM 600 CB PRO A 38 32.776 23.843 13.646 1.00 0.00 C ATOM 601 CG PRO A 38 33.314 24.062 12.237 1.00 0.00 C ATOM 602 CD PRO A 38 34.435 25.068 12.460 1.00 0.00 C ATOM 0 HA PRO A 38 33.678 24.721 15.458 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.425 22.820 13.780 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.931 24.500 13.852 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.683 23.136 11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.548 24.451 11.567 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.276 24.844 11.803 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.093 26.072 12.210 1.00 0.00 H new ATOM 610 N ASP A 39 35.687 22.471 14.880 1.00 0.00 N ATOM 611 CA ASP A 39 36.359 21.360 15.531 1.00 0.00 C ATOM 612 C ASP A 39 36.835 21.770 16.925 1.00 0.00 C ATOM 613 O ASP A 39 37.043 20.946 17.816 1.00 0.00 O ATOM 614 CB ASP A 39 37.406 20.758 14.594 1.00 0.00 C ATOM 615 CG ASP A 39 38.190 19.595 15.183 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.601 18.837 15.978 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.381 19.615 14.808 1.00 0.00 O ATOM 0 H ASP A 39 36.220 22.894 14.120 1.00 0.00 H new ATOM 0 HA ASP A 39 35.671 20.536 15.724 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.909 20.420 13.685 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.106 21.541 14.303 1.00 0.00 H new ATOM 622 N GLN A 40 37.089 23.057 17.128 1.00 0.00 N ATOM 623 CA GLN A 40 37.657 23.622 18.340 1.00 0.00 C ATOM 624 C GLN A 40 36.607 23.864 19.419 1.00 0.00 C ATOM 625 O GLN A 40 36.954 23.857 20.600 1.00 0.00 O ATOM 626 CB GLN A 40 38.386 24.929 18.013 1.00 0.00 C ATOM 627 CG GLN A 40 38.884 25.748 19.198 1.00 0.00 C ATOM 628 CD GLN A 40 39.846 26.854 18.769 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.735 27.515 17.747 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.899 27.072 19.557 1.00 0.00 N ATOM 0 H GLN A 40 36.895 23.764 16.419 1.00 0.00 H new ATOM 0 HA GLN A 40 38.363 22.893 18.738 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.241 24.693 17.379 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.715 25.555 17.424 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.033 26.190 19.716 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.383 25.090 19.909 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.014 26.533 20.415 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.590 27.778 19.302 1.00 0.00 H new ATOM 639 N GLN A 41 35.365 24.148 19.030 1.00 0.00 N ATOM 640 CA GLN A 41 34.168 24.338 19.830 1.00 0.00 C ATOM 641 C GLN A 41 33.585 22.977 20.200 1.00 0.00 C ATOM 642 O GLN A 41 33.556 22.069 19.367 1.00 0.00 O ATOM 643 CB GLN A 41 33.041 24.997 19.031 1.00 0.00 C ATOM 644 CG GLN A 41 33.368 26.310 18.316 1.00 0.00 C ATOM 645 CD GLN A 41 32.272 26.750 17.356 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.114 26.405 17.558 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.585 27.411 16.240 1.00 0.00 N ATOM 0 H GLN A 41 35.157 24.262 18.038 1.00 0.00 H new ATOM 0 HA GLN A 41 34.470 24.946 20.683 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.693 24.283 18.284 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.208 25.180 19.709 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.529 27.092 19.058 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.302 26.195 17.766 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.549 27.699 16.071 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.860 27.629 15.556 1.00 0.00 H new ATOM 656 N ARG A 42 33.072 22.903 21.419 1.00 0.00 N ATOM 657 CA ARG A 42 32.399 21.709 21.889 1.00 0.00 C ATOM 658 C ARG A 42 31.337 22.358 22.770 1.00 0.00 C ATOM 659 O ARG A 42 31.543 23.143 23.692 1.00 0.00 O ATOM 660 CB ARG A 42 33.384 20.762 22.594 1.00 0.00 C ATOM 661 CG ARG A 42 32.810 19.355 22.806 1.00 0.00 C ATOM 662 CD ARG A 42 33.854 18.472 23.484 1.00 0.00 C ATOM 663 NE ARG A 42 34.039 18.953 24.851 1.00 0.00 N ATOM 664 CZ ARG A 42 35.034 19.585 25.489 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.224 19.829 24.922 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.926 19.861 26.796 1.00 0.00 N ATOM 0 H ARG A 42 33.111 23.661 22.101 1.00 0.00 H new ATOM 0 HA ARG A 42 31.969 21.043 21.141 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.298 20.691 22.004 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.660 21.186 23.560 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.910 19.407 23.419 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.519 18.922 21.849 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.528 17.432 23.488 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.796 18.509 22.937 1.00 0.00 H new ATOM 0 HE ARG A 42 33.235 18.767 25.451 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.403 19.530 23.963 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.950 20.314 25.449 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.086 19.590 27.307 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.684 20.342 27.280 1.00 0.00 H new ATOM 680 N LEU A 43 30.086 22.097 22.397 1.00 0.00 N ATOM 681 CA LEU A 43 28.906 22.549 23.110 1.00 0.00 C ATOM 682 C LEU A 43 28.488 21.699 24.315 1.00 0.00 C ATOM 683 O LEU A 43 28.323 20.505 24.068 1.00 0.00 O ATOM 684 CB LEU A 43 27.661 22.596 22.233 1.00 0.00 C ATOM 685 CG LEU A 43 27.704 23.806 21.313 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.940 23.940 20.420 1.00 0.00 C ATOM 687 CD2 LEU A 43 26.500 23.843 20.366 1.00 0.00 C ATOM 0 H LEU A 43 29.865 21.549 21.566 1.00 0.00 H new ATOM 0 HA LEU A 43 29.232 23.535 23.441 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.591 21.684 21.641 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.769 22.639 22.859 1.00 0.00 H new ATOM 0 HG LEU A 43 27.712 24.628 22.029 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.853 24.840 19.812 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.833 24.007 21.042 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.015 23.069 19.770 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.568 24.722 19.725 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.494 22.944 19.749 1.00 0.00 H new ATOM 0 HD23 LEU A 43 25.580 23.889 20.949 1.00 0.00 H new ATOM 699 N ILE A 44 28.329 22.198 25.542 1.00 0.00 N ATOM 700 CA ILE A 44 27.804 21.428 26.656 1.00 0.00 C ATOM 701 C ILE A 44 26.364 21.947 26.724 1.00 0.00 C ATOM 702 O ILE A 44 26.146 23.151 26.863 1.00 0.00 O ATOM 703 CB ILE A 44 28.638 21.615 27.926 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.165 21.612 27.764 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.209 20.619 28.996 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.811 20.280 27.376 1.00 0.00 C ATOM 0 H ILE A 44 28.566 23.160 25.786 1.00 0.00 H new ATOM 0 HA ILE A 44 27.841 20.345 26.539 1.00 0.00 H new ATOM 0 HB ILE A 44 28.417 22.638 28.232 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.429 22.351 27.008 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.608 21.944 28.703 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.812 20.766 29.892 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.157 20.774 29.237 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.350 19.604 28.626 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.890 20.409 27.293 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.593 19.534 28.140 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.411 19.947 26.418 1.00 0.00 H new ATOM 718 N PHE A 45 25.364 21.064 26.749 1.00 0.00 N ATOM 719 CA PHE A 45 23.964 21.412 26.904 1.00 0.00 C ATOM 720 C PHE A 45 23.600 20.301 27.889 1.00 0.00 C ATOM 721 O PHE A 45 23.652 19.090 27.669 1.00 0.00 O ATOM 722 CB PHE A 45 23.274 21.184 25.559 1.00 0.00 C ATOM 723 CG PHE A 45 21.770 21.049 25.648 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.026 22.154 26.091 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.111 19.839 25.414 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.635 22.050 26.209 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.731 19.727 25.536 1.00 0.00 C ATOM 728 CZ PHE A 45 18.983 20.844 25.944 1.00 0.00 C ATOM 0 H PHE A 45 25.518 20.060 26.659 1.00 0.00 H new ATOM 0 HA PHE A 45 23.714 22.426 27.215 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.514 22.014 24.895 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.682 20.282 25.102 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.524 23.079 26.339 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.688 18.971 25.132 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.059 22.913 26.509 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.239 18.791 25.319 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.911 20.770 26.052 1.00 0.00 H new ATOM 738 N ALA A 46 23.031 20.735 29.003 1.00 0.00 N ATOM 739 CA ALA A 46 22.226 19.998 29.963 1.00 0.00 C ATOM 740 C ALA A 46 22.952 18.864 30.667 1.00 0.00 C ATOM 741 O ALA A 46 22.288 17.901 31.063 1.00 0.00 O ATOM 742 CB ALA A 46 20.866 19.640 29.362 1.00 0.00 C ATOM 0 H ALA A 46 23.132 21.710 29.285 1.00 0.00 H new ATOM 0 HA ALA A 46 22.024 20.668 30.799 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.278 19.089 30.096 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.338 20.553 29.086 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.011 19.023 28.475 1.00 0.00 H new ATOM 748 N GLY A 47 24.275 18.888 30.777 1.00 0.00 N ATOM 749 CA GLY A 47 25.069 17.814 31.342 1.00 0.00 C ATOM 750 C GLY A 47 25.766 16.972 30.270 1.00 0.00 C ATOM 751 O GLY A 47 26.818 16.426 30.567 1.00 0.00 O ATOM 0 H GLY A 47 24.837 19.680 30.465 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.818 18.235 32.013 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.428 17.171 31.944 1.00 0.00 H new ATOM 755 N LYS A 48 25.213 16.928 29.069 1.00 0.00 N ATOM 756 CA LYS A 48 25.576 16.085 27.949 1.00 0.00 C ATOM 757 C LYS A 48 26.445 16.889 26.975 1.00 0.00 C ATOM 758 O LYS A 48 26.406 18.116 26.940 1.00 0.00 O ATOM 759 CB LYS A 48 24.254 15.656 27.289 1.00 0.00 C ATOM 760 CG LYS A 48 23.250 15.029 28.251 1.00 0.00 C ATOM 761 CD LYS A 48 22.329 14.086 27.472 1.00 0.00 C ATOM 762 CE LYS A 48 21.197 13.571 28.363 1.00 0.00 C ATOM 763 NZ LYS A 48 19.992 13.342 27.563 1.00 0.00 N ATOM 0 H LYS A 48 24.429 17.537 28.836 1.00 0.00 H new ATOM 0 HA LYS A 48 26.150 15.211 28.256 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.796 16.527 26.820 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.472 14.943 26.494 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.773 14.481 29.035 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.664 15.806 28.742 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.911 14.608 26.611 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.905 13.245 27.086 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.500 12.645 28.851 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.987 14.293 29.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.229 12.992 28.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.697 14.234 27.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.194 12.637 26.826 1.00 0.00 H new ATOM 777 N GLN A 49 27.132 16.216 26.059 1.00 0.00 N ATOM 778 CA GLN A 49 27.786 16.772 24.887 1.00 0.00 C ATOM 779 C GLN A 49 27.118 16.121 23.671 1.00 0.00 C ATOM 780 O GLN A 49 26.719 14.960 23.645 1.00 0.00 O ATOM 781 CB GLN A 49 29.226 16.253 24.819 1.00 0.00 C ATOM 782 CG GLN A 49 30.190 17.128 25.635 1.00 0.00 C ATOM 783 CD GLN A 49 31.530 16.570 26.086 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.361 17.287 26.647 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.827 15.304 25.813 1.00 0.00 N ATOM 0 H GLN A 49 27.253 15.205 26.122 1.00 0.00 H new ATOM 0 HA GLN A 49 27.735 17.860 24.917 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.261 15.229 25.192 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.553 16.225 23.780 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.394 18.022 25.045 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.656 17.451 26.529 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.142 14.708 25.349 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.740 14.928 26.068 1.00 0.00 H new ATOM 794 N LEU A 50 27.041 16.950 22.639 1.00 0.00 N ATOM 795 CA LEU A 50 26.223 16.722 21.456 1.00 0.00 C ATOM 796 C LEU A 50 27.045 15.990 20.391 1.00 0.00 C ATOM 797 O LEU A 50 28.198 16.322 20.136 1.00 0.00 O ATOM 798 CB LEU A 50 25.812 18.069 20.882 1.00 0.00 C ATOM 799 CG LEU A 50 24.985 18.939 21.834 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.629 20.316 21.270 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.826 18.257 22.547 1.00 0.00 C ATOM 0 H LEU A 50 27.562 17.826 22.601 1.00 0.00 H new ATOM 0 HA LEU A 50 25.351 16.128 21.730 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.710 18.617 20.596 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.237 17.902 19.971 1.00 0.00 H new ATOM 0 HG LEU A 50 25.691 19.119 22.645 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.044 20.870 22.004 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.544 20.865 21.046 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.046 20.196 20.357 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.320 18.977 23.191 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.121 17.872 21.810 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.205 17.433 23.152 1.00 0.00 H new ATOM 813 N GLU A 51 26.388 15.035 19.736 1.00 0.00 N ATOM 814 CA GLU A 51 26.712 14.293 18.532 1.00 0.00 C ATOM 815 C GLU A 51 26.244 15.131 17.347 1.00 0.00 C ATOM 816 O GLU A 51 25.123 15.640 17.291 1.00 0.00 O ATOM 817 CB GLU A 51 25.858 13.021 18.675 1.00 0.00 C ATOM 818 CG GLU A 51 26.366 11.809 17.893 1.00 0.00 C ATOM 819 CD GLU A 51 27.696 11.325 18.444 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.787 10.858 19.603 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.722 11.404 17.742 1.00 0.00 O ATOM 0 H GLU A 51 25.486 14.725 20.097 1.00 0.00 H new ATOM 0 HA GLU A 51 27.768 14.065 18.390 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.803 12.756 19.731 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.842 13.245 18.349 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.632 11.005 17.945 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.478 12.071 16.841 1.00 0.00 H new ATOM 828 N ASP A 52 27.112 15.080 16.345 1.00 0.00 N ATOM 829 CA ASP A 52 26.922 15.831 15.123 1.00 0.00 C ATOM 830 C ASP A 52 25.832 15.242 14.225 1.00 0.00 C ATOM 831 O ASP A 52 25.832 14.010 14.174 1.00 0.00 O ATOM 832 CB ASP A 52 28.178 16.062 14.282 1.00 0.00 C ATOM 833 CG ASP A 52 29.149 17.163 14.685 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.673 18.240 15.088 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.354 16.870 14.512 1.00 0.00 O ATOM 0 H ASP A 52 27.963 14.517 16.361 1.00 0.00 H new ATOM 0 HA ASP A 52 26.611 16.805 15.501 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.735 15.125 14.260 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.856 16.266 13.261 1.00 0.00 H new ATOM 840 N GLY A 53 24.875 15.894 13.575 1.00 0.00 N ATOM 841 CA GLY A 53 23.999 15.451 12.522 1.00 0.00 C ATOM 842 C GLY A 53 22.527 15.345 12.945 1.00 0.00 C ATOM 843 O GLY A 53 21.711 15.230 12.028 1.00 0.00 O ATOM 0 H GLY A 53 24.680 16.867 13.812 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.077 16.141 11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.336 14.477 12.167 1.00 0.00 H new ATOM 847 N ARG A 54 22.357 15.387 14.255 1.00 0.00 N ATOM 848 CA ARG A 54 21.051 15.381 14.890 1.00 0.00 C ATOM 849 C ARG A 54 20.552 16.821 14.813 1.00 0.00 C ATOM 850 O ARG A 54 21.339 17.743 14.578 1.00 0.00 O ATOM 851 CB ARG A 54 21.363 15.051 16.345 1.00 0.00 C ATOM 852 CG ARG A 54 21.624 13.639 16.897 1.00 0.00 C ATOM 853 CD ARG A 54 22.651 12.756 16.189 1.00 0.00 C ATOM 854 NE ARG A 54 22.679 11.409 16.742 1.00 0.00 N ATOM 855 CZ ARG A 54 22.746 10.271 16.024 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.571 10.287 14.704 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.780 9.150 16.749 1.00 0.00 N ATOM 0 H ARG A 54 23.133 15.427 14.916 1.00 0.00 H new ATOM 0 HA ARG A 54 20.324 14.697 14.453 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.244 15.640 16.602 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.532 15.450 16.926 1.00 0.00 H new ATOM 0 HG2 ARG A 54 21.936 13.742 17.936 1.00 0.00 H new ATOM 0 HG3 ARG A 54 20.674 13.104 16.901 1.00 0.00 H new ATOM 0 HD2 ARG A 54 22.417 12.707 15.126 1.00 0.00 H new ATOM 0 HD3 ARG A 54 23.640 13.206 16.278 1.00 0.00 H new ATOM 0 HE ARG A 54 22.645 11.320 17.758 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.384 11.168 14.225 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.624 9.418 14.172 1.00 0.00 H new ATOM 0 HH21 ARG A 54 22.755 9.200 17.767 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.831 8.243 16.284 1.00 0.00 H new ATOM 871 N THR A 55 19.243 16.954 14.974 1.00 0.00 N ATOM 872 CA THR A 55 18.588 18.246 14.877 1.00 0.00 C ATOM 873 C THR A 55 18.567 18.903 16.265 1.00 0.00 C ATOM 874 O THR A 55 18.705 18.188 17.262 1.00 0.00 O ATOM 875 CB THR A 55 17.127 18.183 14.445 1.00 0.00 C ATOM 876 OG1 THR A 55 16.312 17.277 15.168 1.00 0.00 O ATOM 877 CG2 THR A 55 17.043 17.930 12.938 1.00 0.00 C ATOM 0 H THR A 55 18.613 16.177 15.173 1.00 0.00 H new ATOM 0 HA THR A 55 19.156 18.796 14.127 1.00 0.00 H new ATOM 0 HB THR A 55 16.708 19.159 14.689 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.588 16.358 14.969 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.997 17.886 12.634 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.542 18.739 12.405 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.530 16.984 12.700 1.00 0.00 H new ATOM 885 N LEU A 56 18.154 20.151 16.431 1.00 0.00 N ATOM 886 CA LEU A 56 17.879 20.865 17.666 1.00 0.00 C ATOM 887 C LEU A 56 16.726 20.203 18.420 1.00 0.00 C ATOM 888 O LEU A 56 16.823 19.897 19.603 1.00 0.00 O ATOM 889 CB LEU A 56 17.641 22.356 17.446 1.00 0.00 C ATOM 890 CG LEU A 56 18.812 23.199 16.929 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.716 24.673 17.329 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.202 22.584 17.151 1.00 0.00 C ATOM 0 H LEU A 56 17.987 20.747 15.621 1.00 0.00 H new ATOM 0 HA LEU A 56 18.773 20.800 18.287 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.815 22.463 16.742 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.311 22.786 18.392 1.00 0.00 H new ATOM 0 HG LEU A 56 18.698 23.180 15.845 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.575 25.214 16.932 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.799 25.101 16.924 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.706 24.755 18.416 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.964 23.253 16.752 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.369 22.439 18.218 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.260 21.623 16.640 1.00 0.00 H new ATOM 904 N SER A 57 15.613 20.009 17.726 1.00 0.00 N ATOM 905 CA SER A 57 14.545 19.104 18.095 1.00 0.00 C ATOM 906 C SER A 57 14.948 17.729 18.641 1.00 0.00 C ATOM 907 O SER A 57 14.446 17.329 19.691 1.00 0.00 O ATOM 908 CB SER A 57 13.467 19.001 17.011 1.00 0.00 C ATOM 909 OG SER A 57 13.942 18.624 15.740 1.00 0.00 O ATOM 0 H SER A 57 15.426 20.502 16.853 1.00 0.00 H new ATOM 0 HA SER A 57 14.116 19.593 18.970 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.717 18.278 17.332 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.965 19.965 16.925 1.00 0.00 H new ATOM 0 HG SER A 57 14.802 18.165 15.835 1.00 0.00 H new ATOM 915 N ASP A 58 15.946 17.028 18.112 1.00 0.00 N ATOM 916 CA ASP A 58 16.329 15.763 18.694 1.00 0.00 C ATOM 917 C ASP A 58 16.840 15.796 20.140 1.00 0.00 C ATOM 918 O ASP A 58 16.793 14.778 20.820 1.00 0.00 O ATOM 919 CB ASP A 58 17.424 15.052 17.888 1.00 0.00 C ATOM 920 CG ASP A 58 17.034 14.475 16.531 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.457 13.364 16.547 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.360 15.012 15.453 1.00 0.00 O ATOM 0 H ASP A 58 16.490 17.313 17.298 1.00 0.00 H new ATOM 0 HA ASP A 58 15.376 15.234 18.677 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.240 15.758 17.732 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.818 14.240 18.499 1.00 0.00 H new ATOM 927 N TYR A 59 17.349 16.953 20.540 1.00 0.00 N ATOM 928 CA TYR A 59 17.901 17.327 21.827 1.00 0.00 C ATOM 929 C TYR A 59 17.005 18.108 22.786 1.00 0.00 C ATOM 930 O TYR A 59 17.260 18.219 23.990 1.00 0.00 O ATOM 931 CB TYR A 59 19.275 17.952 21.647 1.00 0.00 C ATOM 932 CG TYR A 59 20.364 16.910 21.561 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.808 16.282 22.731 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.976 16.659 20.318 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.745 15.256 22.575 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.923 15.642 20.196 1.00 0.00 C ATOM 937 CZ TYR A 59 22.375 14.992 21.351 1.00 0.00 C ATOM 938 OH TYR A 59 23.451 14.169 21.241 1.00 0.00 O ATOM 0 H TYR A 59 17.387 17.740 19.892 1.00 0.00 H new ATOM 0 HA TYR A 59 17.991 16.383 22.365 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.281 18.559 20.741 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.480 18.623 22.481 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.445 16.575 23.705 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.712 17.255 19.457 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.993 14.644 23.430 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.302 15.360 19.225 1.00 0.00 H new ATOM 0 HH TYR A 59 23.614 13.968 20.296 1.00 0.00 H new ATOM 948 N ASN A 60 15.844 18.485 22.265 1.00 0.00 N ATOM 949 CA ASN A 60 14.706 19.136 22.878 1.00 0.00 C ATOM 950 C ASN A 60 14.974 20.591 23.265 1.00 0.00 C ATOM 951 O ASN A 60 14.777 21.043 24.393 1.00 0.00 O ATOM 952 CB ASN A 60 14.006 18.294 23.953 1.00 0.00 C ATOM 953 CG ASN A 60 12.500 18.205 23.745 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.881 19.176 24.168 1.00 0.00 O ATOM 955 ND2 ASN A 60 11.892 17.159 23.208 1.00 0.00 N ATOM 0 H ASN A 60 15.662 18.317 21.276 1.00 0.00 H new ATOM 0 HA ASN A 60 13.955 19.206 22.091 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.428 17.289 23.953 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.208 18.725 24.934 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.875 17.142 23.135 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.441 16.370 22.867 1.00 0.00 H new ATOM 962 N ILE A 61 15.539 21.396 22.368 1.00 0.00 N ATOM 963 CA ILE A 61 16.021 22.747 22.500 1.00 0.00 C ATOM 964 C ILE A 61 14.784 23.536 22.058 1.00 0.00 C ATOM 965 O ILE A 61 14.176 23.326 21.020 1.00 0.00 O ATOM 966 CB ILE A 61 17.189 22.872 21.514 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.436 22.364 22.235 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.349 24.308 21.021 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.632 22.020 21.347 1.00 0.00 C ATOM 0 H ILE A 61 15.682 21.062 21.415 1.00 0.00 H new ATOM 0 HA ILE A 61 16.383 23.072 23.475 1.00 0.00 H new ATOM 0 HB ILE A 61 17.009 22.277 20.619 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.749 23.121 22.954 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.165 21.475 22.805 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.185 24.362 20.324 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.435 24.624 20.517 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.541 24.965 21.870 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.457 21.671 21.967 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.350 21.236 20.644 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.943 22.907 20.796 1.00 0.00 H new ATOM 981 N GLN A 62 14.581 24.623 22.807 1.00 0.00 N ATOM 982 CA GLN A 62 13.458 25.521 22.687 1.00 0.00 C ATOM 983 C GLN A 62 13.934 26.921 23.084 1.00 0.00 C ATOM 984 O GLN A 62 14.988 27.038 23.701 1.00 0.00 O ATOM 985 CB GLN A 62 12.237 24.894 23.360 1.00 0.00 C ATOM 986 CG GLN A 62 11.023 25.805 23.528 1.00 0.00 C ATOM 987 CD GLN A 62 10.338 26.287 22.260 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.952 26.336 21.194 1.00 0.00 O ATOM 989 NE2 GLN A 62 9.040 26.572 22.353 1.00 0.00 N ATOM 0 H GLN A 62 15.230 24.902 23.542 1.00 0.00 H new ATOM 0 HA GLN A 62 13.083 25.674 21.675 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.935 24.022 22.779 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.535 24.534 24.345 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.285 25.277 24.131 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.333 26.680 24.098 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.570 26.519 23.257 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.517 26.843 21.521 1.00 0.00 H new ATOM 998 N LYS A 63 13.227 27.930 22.590 1.00 0.00 N ATOM 999 CA LYS A 63 13.427 29.352 22.782 1.00 0.00 C ATOM 1000 C LYS A 63 14.012 29.709 24.156 1.00 0.00 C ATOM 1001 O LYS A 63 13.310 29.465 25.137 1.00 0.00 O ATOM 1002 CB LYS A 63 12.271 30.207 22.267 1.00 0.00 C ATOM 1003 CG LYS A 63 12.503 31.717 22.281 1.00 0.00 C ATOM 1004 CD LYS A 63 11.274 32.517 21.839 1.00 0.00 C ATOM 1005 CE LYS A 63 10.048 32.385 22.735 1.00 0.00 C ATOM 1006 NZ LYS A 63 10.224 33.192 23.951 1.00 0.00 N ATOM 0 H LYS A 63 12.423 27.750 21.988 1.00 0.00 H new ATOM 0 HA LYS A 63 14.235 29.649 22.114 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.046 29.902 21.245 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.387 29.989 22.867 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.788 32.026 23.287 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.340 31.956 21.625 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.549 33.570 21.782 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.001 32.204 20.831 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.158 32.712 22.198 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.893 31.340 23.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.478 32.955 24.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.155 32.991 24.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.164 34.202 23.709 1.00 0.00 H new ATOM 1020 N GLU A 64 15.236 30.237 24.130 1.00 0.00 N ATOM 1021 CA GLU A 64 15.923 30.709 25.322 1.00 0.00 C ATOM 1022 C GLU A 64 16.645 29.628 26.121 1.00 0.00 C ATOM 1023 O GLU A 64 17.119 29.898 27.223 1.00 0.00 O ATOM 1024 CB GLU A 64 15.096 31.534 26.304 1.00 0.00 C ATOM 1025 CG GLU A 64 14.545 32.883 25.856 1.00 0.00 C ATOM 1026 CD GLU A 64 13.121 32.940 26.379 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.979 32.919 27.626 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.166 33.150 25.602 1.00 0.00 O ATOM 0 H GLU A 64 15.778 30.348 23.273 1.00 0.00 H new ATOM 0 HA GLU A 64 16.651 31.372 24.854 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.251 30.921 26.618 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.710 31.707 27.188 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.142 33.702 26.256 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.567 32.974 24.770 1.00 0.00 H new ATOM 1035 N SER A 65 16.938 28.534 25.431 1.00 0.00 N ATOM 1036 CA SER A 65 17.768 27.462 25.942 1.00 0.00 C ATOM 1037 C SER A 65 19.202 27.918 26.163 1.00 0.00 C ATOM 1038 O SER A 65 19.724 28.698 25.365 1.00 0.00 O ATOM 1039 CB SER A 65 17.822 26.316 24.925 1.00 0.00 C ATOM 1040 OG SER A 65 16.773 25.395 25.080 1.00 0.00 O ATOM 0 H SER A 65 16.597 28.368 24.484 1.00 0.00 H new ATOM 0 HA SER A 65 17.328 27.145 26.887 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.789 26.730 23.917 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.774 25.794 25.024 1.00 0.00 H new ATOM 0 HG SER A 65 17.113 24.486 24.946 1.00 0.00 H new ATOM 1046 N THR A 66 19.739 27.538 27.324 1.00 0.00 N ATOM 1047 CA THR A 66 21.080 27.889 27.728 1.00 0.00 C ATOM 1048 C THR A 66 21.940 26.700 27.304 1.00 0.00 C ATOM 1049 O THR A 66 21.669 25.541 27.625 1.00 0.00 O ATOM 1050 CB THR A 66 21.211 28.196 29.219 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.295 29.239 29.441 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.685 28.525 29.498 1.00 0.00 C ATOM 0 H THR A 66 19.240 26.972 28.010 1.00 0.00 H new ATOM 0 HA THR A 66 21.397 28.818 27.254 1.00 0.00 H new ATOM 0 HB THR A 66 20.972 27.383 29.904 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.316 29.497 30.386 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.814 28.750 30.557 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.306 27.670 29.231 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.983 29.389 28.905 1.00 0.00 H new ATOM 1060 N LEU A 67 22.938 26.995 26.478 1.00 0.00 N ATOM 1061 CA LEU A 67 24.037 26.101 26.176 1.00 0.00 C ATOM 1062 C LEU A 67 25.363 26.789 26.522 1.00 0.00 C ATOM 1063 O LEU A 67 25.432 28.003 26.640 1.00 0.00 O ATOM 1064 CB LEU A 67 24.123 25.759 24.684 1.00 0.00 C ATOM 1065 CG LEU A 67 23.020 24.990 23.954 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.634 25.586 24.237 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.134 25.005 22.424 1.00 0.00 C ATOM 0 H LEU A 67 23.001 27.888 25.990 1.00 0.00 H new ATOM 0 HA LEU A 67 23.863 25.195 26.756 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.249 26.703 24.154 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.043 25.191 24.546 1.00 0.00 H new ATOM 0 HG LEU A 67 23.141 23.975 24.332 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.876 25.014 23.702 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.432 25.544 25.307 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.609 26.623 23.903 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.311 24.436 21.992 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.091 26.034 22.066 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.081 24.556 22.125 1.00 0.00 H new ATOM 1079 N HIS A 68 26.467 26.069 26.709 1.00 0.00 N ATOM 1080 CA HIS A 68 27.729 26.653 27.130 1.00 0.00 C ATOM 1081 C HIS A 68 28.881 26.253 26.207 1.00 0.00 C ATOM 1082 O HIS A 68 29.164 25.075 26.009 1.00 0.00 O ATOM 1083 CB HIS A 68 27.917 26.090 28.538 1.00 0.00 C ATOM 1084 CG HIS A 68 29.170 26.549 29.235 1.00 0.00 C ATOM 1085 ND1 HIS A 68 30.015 25.688 29.934 1.00 0.00 N ATOM 1086 CD2 HIS A 68 29.736 27.793 29.169 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.943 26.476 30.479 1.00 0.00 C ATOM 1088 NE2 HIS A 68 30.891 27.693 29.911 1.00 0.00 N ATOM 0 H HIS A 68 26.507 25.059 26.571 1.00 0.00 H new ATOM 0 HA HIS A 68 27.721 27.743 27.100 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.056 26.370 29.145 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.926 25.002 28.481 1.00 0.00 H new ATOM 0 HD1 HIS A 68 29.940 24.674 30.012 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.360 28.662 28.649 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.631 26.181 31.258 1.00 0.00 H new ATOM 1096 N LEU A 69 29.565 27.258 25.670 1.00 0.00 N ATOM 1097 CA LEU A 69 30.684 27.118 24.772 1.00 0.00 C ATOM 1098 C LEU A 69 31.985 26.868 25.546 1.00 0.00 C ATOM 1099 O LEU A 69 32.513 27.869 26.024 1.00 0.00 O ATOM 1100 CB LEU A 69 30.680 28.388 23.911 1.00 0.00 C ATOM 1101 CG LEU A 69 31.735 28.493 22.809 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.711 27.441 21.707 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.770 29.943 22.308 1.00 0.00 C ATOM 0 H LEU A 69 29.336 28.233 25.864 1.00 0.00 H new ATOM 0 HA LEU A 69 30.605 26.245 24.124 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.698 28.477 23.447 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.799 29.245 24.574 1.00 0.00 H new ATOM 0 HG LEU A 69 32.689 28.233 23.269 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.513 27.640 20.997 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.850 26.452 22.145 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.752 27.477 21.190 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.518 30.038 21.521 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.791 30.215 21.914 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.026 30.607 23.133 1.00 0.00 H new ATOM 1115 N VAL A 70 32.468 25.632 25.621 1.00 0.00 N ATOM 1116 CA VAL A 70 33.835 25.397 26.019 1.00 0.00 C ATOM 1117 C VAL A 70 34.664 25.269 24.744 1.00 0.00 C ATOM 1118 O VAL A 70 34.148 24.834 23.714 1.00 0.00 O ATOM 1119 CB VAL A 70 33.961 24.160 26.911 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.551 24.372 28.371 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.404 22.850 26.365 1.00 0.00 C ATOM 0 H VAL A 70 31.932 24.790 25.412 1.00 0.00 H new ATOM 0 HA VAL A 70 34.202 26.228 26.621 1.00 0.00 H new ATOM 0 HB VAL A 70 35.043 24.028 26.892 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.675 23.440 28.923 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.179 25.144 28.817 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.507 24.683 28.414 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.558 22.056 27.096 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.337 22.961 26.170 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.918 22.595 25.438 1.00 0.00 H new ATOM 1131 N LEU A 71 35.942 25.616 24.800 1.00 0.00 N ATOM 1132 CA LEU A 71 36.908 25.548 23.715 1.00 0.00 C ATOM 1133 C LEU A 71 37.934 24.438 23.953 1.00 0.00 C ATOM 1134 O LEU A 71 38.218 24.050 25.081 1.00 0.00 O ATOM 1135 CB LEU A 71 37.769 26.812 23.713 1.00 0.00 C ATOM 1136 CG LEU A 71 36.922 28.069 23.884 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.799 29.306 24.073 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.066 28.350 22.645 1.00 0.00 C ATOM 0 H LEU A 71 36.357 25.975 25.660 1.00 0.00 H new ATOM 0 HA LEU A 71 36.331 25.398 22.802 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.502 26.755 24.517 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.326 26.872 22.778 1.00 0.00 H new ATOM 0 HG LEU A 71 36.297 27.884 24.758 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.166 30.186 24.192 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.418 29.181 24.962 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.439 29.435 23.200 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.478 29.253 22.807 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.714 28.489 21.779 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.397 27.508 22.466 1.00 0.00 H new