USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 564 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 117:sc= 0.137 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.393 USER MOD Set 2.1: A 22 THR OG1 : rot 140:sc= -1.25 USER MOD Set 2.2: A 25 ASN :FLIP amide:sc= -1.98 F(o=-6.1!,f=-3.2) USER MOD Single : A 2 GLN : amide:sc= -0.0763 K(o=-0.076,f=-1.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 88:sc= 0.00186 USER MOD Single : A 9 THR OG1 : rot -140:sc=-0.000203 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 113:sc=0.000196 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.0812 (180deg=-0.432) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.807 X(o=-0.81,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= -0.054 (180deg=-0.733) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.06 F(o=-1.6,f=-1.1) USER MOD Single : A 41 GLN : amide:sc=-0.00738 K(o=-0.0074,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0036 X(o=-0.0036,f=-0.49) USER MOD Single : A 59 TYR OH : rot 0:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.76) USER MOD Single : A 62 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.59) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0344 (180deg=-0.331) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.0466 F(o=-1.4,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 25.344 27.675 3.701 1.00 0.00 N ATOM 21 CA GLN A 2 26.245 28.789 4.135 1.00 0.00 C ATOM 22 C GLN A 2 25.635 29.507 5.340 1.00 0.00 C ATOM 23 O GLN A 2 24.433 29.554 5.508 1.00 0.00 O ATOM 24 CB GLN A 2 26.402 29.786 2.983 1.00 0.00 C ATOM 25 CG GLN A 2 25.031 30.344 2.595 1.00 0.00 C ATOM 26 CD GLN A 2 25.136 31.066 1.250 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.928 30.692 0.408 1.00 0.00 O ATOM 28 NE2 GLN A 2 24.364 32.090 1.010 1.00 0.00 N ATOM 0 HA GLN A 2 27.218 28.382 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 2 27.065 30.598 3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.862 29.296 2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 2 24.303 29.536 2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 2 24.676 31.032 3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 2 23.699 32.404 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 2 24.425 32.576 0.116 1.00 0.00 H new ATOM 37 N ILE A 3 26.462 30.077 6.177 1.00 0.00 N ATOM 38 CA ILE A 3 25.952 30.811 7.374 1.00 0.00 C ATOM 39 C ILE A 3 26.878 31.996 7.645 1.00 0.00 C ATOM 40 O ILE A 3 27.961 32.078 7.097 1.00 0.00 O ATOM 41 CB ILE A 3 25.932 29.878 8.588 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.280 29.162 8.708 1.00 0.00 C ATOM 43 CG2 ILE A 3 24.818 28.842 8.423 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.334 28.398 10.033 1.00 0.00 C ATOM 0 H ILE A 3 27.477 30.065 6.082 1.00 0.00 H new ATOM 0 HA ILE A 3 24.937 31.164 7.191 1.00 0.00 H new ATOM 0 HB ILE A 3 25.751 30.464 9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.414 28.474 7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.094 29.885 8.659 1.00 0.00 H new ATOM 0 HG21 ILE A 3 24.806 28.179 9.288 1.00 0.00 H new ATOM 0 HG22 ILE A 3 23.857 29.351 8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 3 24.996 28.257 7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.293 27.888 10.120 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.219 29.097 10.861 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.529 27.664 10.063 1.00 0.00 H new ATOM 56 N PHE A 4 26.467 32.918 8.484 1.00 0.00 N ATOM 57 CA PHE A 4 27.326 34.107 8.788 1.00 0.00 C ATOM 58 C PHE A 4 27.616 34.153 10.283 1.00 0.00 C ATOM 59 O PHE A 4 26.744 33.956 11.099 1.00 0.00 O ATOM 60 CB PHE A 4 26.591 35.384 8.372 1.00 0.00 C ATOM 61 CG PHE A 4 26.502 35.445 6.865 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.549 34.672 6.189 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.374 36.269 6.142 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.466 34.727 4.792 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.290 36.324 4.746 1.00 0.00 C ATOM 66 CZ PHE A 4 26.338 35.552 4.071 1.00 0.00 C ATOM 0 H PHE A 4 25.572 32.898 8.972 1.00 0.00 H new ATOM 0 HA PHE A 4 28.264 34.030 8.238 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.592 35.399 8.807 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.117 36.260 8.752 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.878 34.034 6.745 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.112 36.862 6.662 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.730 34.133 4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.960 36.962 4.190 1.00 0.00 H new ATOM 0 HZ PHE A 4 26.276 35.592 2.994 1.00 0.00 H new ATOM 76 N VAL A 5 28.837 34.427 10.652 1.00 0.00 N ATOM 77 CA VAL A 5 29.189 34.504 12.101 1.00 0.00 C ATOM 78 C VAL A 5 29.345 35.972 12.480 1.00 0.00 C ATOM 79 O VAL A 5 30.186 36.676 11.947 1.00 0.00 O ATOM 80 CB VAL A 5 30.502 33.764 12.356 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.788 33.732 13.858 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.389 32.333 11.829 1.00 0.00 C ATOM 0 H VAL A 5 29.610 34.602 10.010 1.00 0.00 H new ATOM 0 HA VAL A 5 28.405 34.042 12.701 1.00 0.00 H new ATOM 0 HB VAL A 5 31.314 34.279 11.843 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.724 33.204 14.039 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.867 34.752 14.235 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.976 33.217 14.372 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.325 31.804 12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.576 31.819 12.342 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.186 32.355 10.758 1.00 0.00 H new ATOM 92 N LYS A 6 28.533 36.438 13.392 1.00 0.00 N ATOM 93 CA LYS A 6 28.615 37.861 13.824 1.00 0.00 C ATOM 94 C LYS A 6 29.478 37.949 15.086 1.00 0.00 C ATOM 95 O LYS A 6 29.181 37.339 16.101 1.00 0.00 O ATOM 96 CB LYS A 6 27.207 38.376 14.128 1.00 0.00 C ATOM 97 CG LYS A 6 27.263 39.870 14.444 1.00 0.00 C ATOM 98 CD LYS A 6 25.861 40.372 14.789 1.00 0.00 C ATOM 99 CE LYS A 6 25.915 41.865 15.110 1.00 0.00 C ATOM 100 NZ LYS A 6 24.556 42.339 15.498 1.00 0.00 N ATOM 0 H LYS A 6 27.812 35.888 13.859 1.00 0.00 H new ATOM 0 HA LYS A 6 29.059 38.466 13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.552 38.199 13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.784 37.831 14.972 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.941 40.051 15.278 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.657 40.419 13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.184 40.194 13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.466 39.820 15.642 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.621 42.048 15.920 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.272 42.422 14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.592 43.355 15.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.894 42.177 14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.232 41.816 16.336 1.00 0.00 H new ATOM 114 N THR A 7 30.551 38.697 15.031 1.00 0.00 N ATOM 115 CA THR A 7 31.444 38.830 16.220 1.00 0.00 C ATOM 116 C THR A 7 31.091 40.111 16.981 1.00 0.00 C ATOM 117 O THR A 7 30.574 41.057 16.420 1.00 0.00 O ATOM 118 CB THR A 7 32.901 38.896 15.752 1.00 0.00 C ATOM 119 OG1 THR A 7 33.166 37.802 14.886 1.00 0.00 O ATOM 120 CG2 THR A 7 33.834 38.828 16.962 1.00 0.00 C ATOM 0 H THR A 7 30.847 39.223 14.209 1.00 0.00 H new ATOM 0 HA THR A 7 31.311 37.971 16.877 1.00 0.00 H new ATOM 0 HB THR A 7 33.070 39.833 15.220 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.937 38.050 13.966 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.870 38.875 16.626 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.630 39.667 17.627 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.668 37.893 17.497 1.00 0.00 H new ATOM 128 N LEU A 8 31.361 40.143 18.256 1.00 0.00 N ATOM 129 CA LEU A 8 31.036 41.354 19.063 1.00 0.00 C ATOM 130 C LEU A 8 31.799 42.568 18.524 1.00 0.00 C ATOM 131 O LEU A 8 31.450 43.699 18.796 1.00 0.00 O ATOM 132 CB LEU A 8 31.438 41.104 20.525 1.00 0.00 C ATOM 133 CG LEU A 8 32.981 40.930 20.641 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.630 42.221 21.161 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.311 39.792 21.617 1.00 0.00 C ATOM 0 H LEU A 8 31.794 39.380 18.777 1.00 0.00 H new ATOM 0 HA LEU A 8 29.966 41.553 18.999 1.00 0.00 H new ATOM 0 HB2 LEU A 8 31.112 41.938 21.146 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.936 40.212 20.900 1.00 0.00 H new ATOM 0 HG LEU A 8 33.370 40.697 19.650 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.708 42.081 21.236 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.417 43.038 20.472 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.226 42.461 22.145 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.393 39.678 21.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.903 40.026 22.600 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.873 38.863 21.254 1.00 0.00 H new ATOM 147 N THR A 9 32.841 42.347 17.768 1.00 0.00 N ATOM 148 CA THR A 9 33.623 43.495 17.226 1.00 0.00 C ATOM 149 C THR A 9 32.929 44.049 15.981 1.00 0.00 C ATOM 150 O THR A 9 33.372 45.015 15.390 1.00 0.00 O ATOM 151 CB THR A 9 35.034 43.028 16.864 1.00 0.00 C ATOM 152 OG1 THR A 9 34.960 42.067 15.821 1.00 0.00 O ATOM 153 CG2 THR A 9 35.694 42.400 18.094 1.00 0.00 C ATOM 0 H THR A 9 33.184 41.424 17.503 1.00 0.00 H new ATOM 0 HA THR A 9 33.684 44.279 17.981 1.00 0.00 H new ATOM 0 HB THR A 9 35.626 43.880 16.531 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.609 41.352 15.988 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.700 42.067 17.837 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.750 43.138 18.894 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.103 41.547 18.428 1.00 0.00 H new ATOM 161 N GLY A 10 31.837 43.452 15.582 1.00 0.00 N ATOM 162 CA GLY A 10 31.105 43.950 14.381 1.00 0.00 C ATOM 163 C GLY A 10 31.687 43.319 13.114 1.00 0.00 C ATOM 164 O GLY A 10 31.395 43.743 12.013 1.00 0.00 O ATOM 0 H GLY A 10 31.420 42.640 16.037 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.046 43.707 14.464 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.180 45.036 14.324 1.00 0.00 H new ATOM 168 N LYS A 11 32.509 42.310 13.251 1.00 0.00 N ATOM 169 CA LYS A 11 33.106 41.659 12.045 1.00 0.00 C ATOM 170 C LYS A 11 32.226 40.486 11.604 1.00 0.00 C ATOM 171 O LYS A 11 32.037 39.532 12.332 1.00 0.00 O ATOM 172 CB LYS A 11 34.497 41.129 12.394 1.00 0.00 C ATOM 173 CG LYS A 11 35.442 42.298 12.675 1.00 0.00 C ATOM 174 CD LYS A 11 36.780 41.754 13.176 1.00 0.00 C ATOM 175 CE LYS A 11 37.737 42.914 13.452 1.00 0.00 C ATOM 176 NZ LYS A 11 39.010 42.382 14.014 1.00 0.00 N ATOM 0 H LYS A 11 32.793 41.909 14.145 1.00 0.00 H new ATOM 0 HA LYS A 11 33.175 42.390 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.440 40.478 13.266 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.883 40.527 11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.591 42.886 11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 11 35.005 42.964 13.419 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.629 41.170 14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 11 37.212 41.083 12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 11 37.935 43.464 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.283 43.616 14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 39.662 43.170 14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 38.813 41.876 14.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 39.444 41.728 13.332 1.00 0.00 H new ATOM 190 N THR A 12 31.686 40.551 10.413 1.00 0.00 N ATOM 191 CA THR A 12 30.815 39.442 9.907 1.00 0.00 C ATOM 192 C THR A 12 31.604 38.596 8.904 1.00 0.00 C ATOM 193 O THR A 12 32.206 39.115 7.985 1.00 0.00 O ATOM 194 CB THR A 12 29.589 40.040 9.212 1.00 0.00 C ATOM 195 OG1 THR A 12 28.999 41.017 10.057 1.00 0.00 O ATOM 196 CG2 THR A 12 28.574 38.933 8.923 1.00 0.00 C ATOM 0 H THR A 12 31.811 41.328 9.765 1.00 0.00 H new ATOM 0 HA THR A 12 30.495 38.817 10.741 1.00 0.00 H new ATOM 0 HB THR A 12 29.892 40.505 8.274 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.215 41.403 9.613 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.701 39.360 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.028 38.183 8.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.268 38.466 9.859 1.00 0.00 H new ATOM 204 N ILE A 13 31.597 37.293 9.070 1.00 0.00 N ATOM 205 CA ILE A 13 32.340 36.397 8.117 1.00 0.00 C ATOM 206 C ILE A 13 31.426 35.256 7.661 1.00 0.00 C ATOM 207 O ILE A 13 30.688 34.687 8.440 1.00 0.00 O ATOM 208 CB ILE A 13 33.579 35.820 8.807 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.262 34.819 7.870 1.00 0.00 C ATOM 210 CG2 ILE A 13 33.168 35.114 10.096 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.650 34.471 8.415 1.00 0.00 C ATOM 0 H ILE A 13 31.109 36.809 9.824 1.00 0.00 H new ATOM 0 HA ILE A 13 32.651 36.978 7.249 1.00 0.00 H new ATOM 0 HB ILE A 13 34.271 36.628 9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.658 33.916 7.783 1.00 0.00 H new ATOM 0 HG13 ILE A 13 34.349 35.243 6.869 1.00 0.00 H new ATOM 0 HG21 ILE A 13 34.052 34.705 10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 13 32.683 35.827 10.763 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.475 34.305 9.863 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.135 33.759 7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.253 35.377 8.479 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.551 34.030 9.407 1.00 0.00 H new ATOM 223 N THR A 14 31.467 34.923 6.394 1.00 0.00 N ATOM 224 CA THR A 14 30.602 33.821 5.868 1.00 0.00 C ATOM 225 C THR A 14 31.404 32.521 5.790 1.00 0.00 C ATOM 226 O THR A 14 32.575 32.522 5.461 1.00 0.00 O ATOM 227 CB THR A 14 30.099 34.192 4.468 1.00 0.00 C ATOM 228 OG1 THR A 14 29.168 33.213 4.028 1.00 0.00 O ATOM 229 CG2 THR A 14 31.278 34.252 3.493 1.00 0.00 C ATOM 0 H THR A 14 32.065 35.369 5.698 1.00 0.00 H new ATOM 0 HA THR A 14 29.754 33.680 6.539 1.00 0.00 H new ATOM 0 HB THR A 14 29.614 35.168 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.275 33.613 3.972 1.00 0.00 H new ATOM 0 HG21 THR A 14 30.915 34.516 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 14 31.991 35.004 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 14 31.768 33.279 3.454 1.00 0.00 H new ATOM 237 N LEU A 15 30.779 31.408 6.094 1.00 0.00 N ATOM 238 CA LEU A 15 31.490 30.091 6.044 1.00 0.00 C ATOM 239 C LEU A 15 30.627 29.069 5.299 1.00 0.00 C ATOM 240 O LEU A 15 29.415 29.172 5.257 1.00 0.00 O ATOM 241 CB LEU A 15 31.722 29.576 7.470 1.00 0.00 C ATOM 242 CG LEU A 15 32.717 30.482 8.221 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.526 30.301 9.728 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.163 30.107 7.859 1.00 0.00 C ATOM 0 H LEU A 15 29.800 31.356 6.376 1.00 0.00 H new ATOM 0 HA LEU A 15 32.443 30.224 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.775 29.543 8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.105 28.556 7.436 1.00 0.00 H new ATOM 0 HG LEU A 15 32.531 31.517 7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.228 30.940 10.263 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.507 30.574 10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.707 29.260 9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.853 30.756 8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.350 29.069 8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.313 30.229 6.786 1.00 0.00 H new ATOM 256 N GLU A 16 31.250 28.065 4.741 1.00 0.00 N ATOM 257 CA GLU A 16 30.498 26.994 4.021 1.00 0.00 C ATOM 258 C GLU A 16 30.529 25.750 4.903 1.00 0.00 C ATOM 259 O GLU A 16 31.580 25.313 5.327 1.00 0.00 O ATOM 260 CB GLU A 16 31.175 26.693 2.682 1.00 0.00 C ATOM 261 CG GLU A 16 30.358 25.646 1.923 1.00 0.00 C ATOM 262 CD GLU A 16 30.987 25.402 0.550 1.00 0.00 C ATOM 263 OE1 GLU A 16 31.751 26.245 0.113 1.00 0.00 O ATOM 264 OE2 GLU A 16 30.695 24.374 -0.040 1.00 0.00 O ATOM 0 H GLU A 16 32.262 27.939 4.754 1.00 0.00 H new ATOM 0 HA GLU A 16 29.473 27.307 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.257 27.605 2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 16 32.189 26.329 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.324 24.715 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.329 25.986 1.808 1.00 0.00 H new ATOM 271 N VAL A 17 29.392 25.192 5.217 1.00 0.00 N ATOM 272 CA VAL A 17 29.371 23.997 6.111 1.00 0.00 C ATOM 273 C VAL A 17 28.259 23.039 5.677 1.00 0.00 C ATOM 274 O VAL A 17 27.375 23.386 4.919 1.00 0.00 O ATOM 275 CB VAL A 17 29.135 24.482 7.550 1.00 0.00 C ATOM 276 CG1 VAL A 17 28.031 25.540 7.553 1.00 0.00 C ATOM 277 CG2 VAL A 17 28.727 23.314 8.457 1.00 0.00 C ATOM 0 H VAL A 17 28.478 25.510 4.895 1.00 0.00 H new ATOM 0 HA VAL A 17 30.318 23.461 6.052 1.00 0.00 H new ATOM 0 HB VAL A 17 30.062 24.910 7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 17 27.861 25.886 8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 17 28.332 26.382 6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 17 27.111 25.107 7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 17 28.565 23.680 9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.807 22.866 8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 17 29.519 22.565 8.464 1.00 0.00 H new ATOM 287 N GLU A 18 28.303 21.832 6.177 1.00 0.00 N ATOM 288 CA GLU A 18 27.267 20.812 5.838 1.00 0.00 C ATOM 289 C GLU A 18 26.371 20.607 7.066 1.00 0.00 C ATOM 290 O GLU A 18 26.797 20.822 8.183 1.00 0.00 O ATOM 291 CB GLU A 18 27.971 19.493 5.490 1.00 0.00 C ATOM 292 CG GLU A 18 28.499 19.550 4.054 1.00 0.00 C ATOM 293 CD GLU A 18 29.201 18.234 3.715 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.186 17.926 4.365 1.00 0.00 O ATOM 295 OE2 GLU A 18 28.741 17.556 2.811 1.00 0.00 O ATOM 0 H GLU A 18 29.026 21.505 6.817 1.00 0.00 H new ATOM 0 HA GLU A 18 26.665 21.140 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.794 19.315 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.277 18.660 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.677 19.725 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.193 20.383 3.943 1.00 0.00 H new ATOM 302 N PRO A 19 25.146 20.190 6.878 1.00 0.00 N ATOM 303 CA PRO A 19 24.204 19.952 8.013 1.00 0.00 C ATOM 304 C PRO A 19 24.644 18.749 8.852 1.00 0.00 C ATOM 305 O PRO A 19 24.393 18.674 10.039 1.00 0.00 O ATOM 306 CB PRO A 19 22.870 19.668 7.311 1.00 0.00 C ATOM 307 CG PRO A 19 23.274 19.104 5.994 1.00 0.00 C ATOM 308 CD PRO A 19 24.509 19.894 5.582 1.00 0.00 C ATOM 0 HA PRO A 19 24.154 20.792 8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.262 18.963 7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.279 20.576 7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.496 18.040 6.073 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.476 19.210 5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.163 19.314 4.931 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.247 20.804 5.041 1.00 0.00 H new ATOM 316 N SER A 20 25.305 17.807 8.235 1.00 0.00 N ATOM 317 CA SER A 20 25.774 16.606 8.978 1.00 0.00 C ATOM 318 C SER A 20 27.158 16.893 9.555 1.00 0.00 C ATOM 319 O SER A 20 27.766 16.050 10.185 1.00 0.00 O ATOM 320 CB SER A 20 25.863 15.419 8.019 1.00 0.00 C ATOM 321 OG SER A 20 26.916 15.647 7.091 1.00 0.00 O ATOM 0 H SER A 20 25.541 17.819 7.243 1.00 0.00 H new ATOM 0 HA SER A 20 25.076 16.371 9.782 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.045 14.499 8.575 1.00 0.00 H new ATOM 0 HB3 SER A 20 24.918 15.291 7.491 1.00 0.00 H new ATOM 0 HG SER A 20 26.979 14.888 6.474 1.00 0.00 H new ATOM 327 N ASP A 21 27.664 18.078 9.341 1.00 0.00 N ATOM 328 CA ASP A 21 29.015 18.405 9.884 1.00 0.00 C ATOM 329 C ASP A 21 28.948 18.412 11.415 1.00 0.00 C ATOM 330 O ASP A 21 27.913 18.686 12.004 1.00 0.00 O ATOM 331 CB ASP A 21 29.489 19.781 9.352 1.00 0.00 C ATOM 332 CG ASP A 21 31.001 19.749 9.083 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.405 19.037 8.178 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.726 20.431 9.786 1.00 0.00 O ATOM 0 H ASP A 21 27.207 18.826 8.820 1.00 0.00 H new ATOM 0 HA ASP A 21 29.733 17.653 9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.954 20.030 8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.257 20.560 10.078 1.00 0.00 H new ATOM 339 N THR A 22 30.043 18.105 12.063 1.00 0.00 N ATOM 340 CA THR A 22 30.059 18.086 13.555 1.00 0.00 C ATOM 341 C THR A 22 30.604 19.414 14.069 1.00 0.00 C ATOM 342 O THR A 22 31.399 20.061 13.420 1.00 0.00 O ATOM 343 CB THR A 22 30.963 16.946 14.038 1.00 0.00 C ATOM 344 OG1 THR A 22 32.308 17.227 13.676 1.00 0.00 O ATOM 345 CG2 THR A 22 30.523 15.633 13.389 1.00 0.00 C ATOM 0 H THR A 22 30.930 17.866 11.620 1.00 0.00 H new ATOM 0 HA THR A 22 29.047 17.935 13.931 1.00 0.00 H new ATOM 0 HB THR A 22 30.888 16.856 15.122 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.905 16.968 14.409 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.167 14.823 13.733 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.491 15.419 13.665 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.598 15.720 12.305 1.00 0.00 H new ATOM 353 N ILE A 23 30.187 19.831 15.230 1.00 0.00 N ATOM 354 CA ILE A 23 30.692 21.121 15.771 1.00 0.00 C ATOM 355 C ILE A 23 32.224 21.087 15.784 1.00 0.00 C ATOM 356 O ILE A 23 32.880 22.076 15.529 1.00 0.00 O ATOM 357 CB ILE A 23 30.170 21.323 17.197 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.657 21.053 17.250 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.447 22.760 17.642 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.941 21.857 16.161 1.00 0.00 C ATOM 0 H ILE A 23 29.522 19.337 15.825 1.00 0.00 H new ATOM 0 HA ILE A 23 30.345 21.944 15.146 1.00 0.00 H new ATOM 0 HB ILE A 23 30.679 20.627 17.864 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.465 19.989 17.113 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.265 21.324 18.230 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.076 22.905 18.657 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.520 22.948 17.618 1.00 0.00 H new ATOM 0 HG23 ILE A 23 29.942 23.453 16.969 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.870 21.659 16.207 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.120 22.921 16.317 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.322 21.565 15.183 1.00 0.00 H new ATOM 372 N GLU A 24 32.798 19.950 16.076 1.00 0.00 N ATOM 373 CA GLU A 24 34.286 19.846 16.105 1.00 0.00 C ATOM 374 C GLU A 24 34.852 20.066 14.700 1.00 0.00 C ATOM 375 O GLU A 24 35.836 20.753 14.518 1.00 0.00 O ATOM 376 CB GLU A 24 34.691 18.452 16.590 1.00 0.00 C ATOM 377 CG GLU A 24 34.272 18.273 18.048 1.00 0.00 C ATOM 378 CD GLU A 24 34.863 16.970 18.591 1.00 0.00 C ATOM 379 OE1 GLU A 24 34.328 15.921 18.272 1.00 0.00 O ATOM 380 OE2 GLU A 24 35.841 17.044 19.317 1.00 0.00 O ATOM 0 H GLU A 24 32.300 19.088 16.296 1.00 0.00 H new ATOM 0 HA GLU A 24 34.681 20.605 16.780 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.220 17.689 15.970 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.769 18.321 16.492 1.00 0.00 H new ATOM 0 HG2 GLU A 24 34.618 19.118 18.644 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.185 18.252 18.125 1.00 0.00 H new ATOM 387 N ASN A 25 34.237 19.488 13.705 1.00 0.00 N ATOM 388 CA ASN A 25 34.739 19.660 12.312 1.00 0.00 C ATOM 389 C ASN A 25 34.542 21.110 11.869 1.00 0.00 C ATOM 390 O ASN A 25 35.365 21.681 11.178 1.00 0.00 O ATOM 391 CB ASN A 25 33.958 18.730 11.379 1.00 0.00 C ATOM 392 CG ASN A 25 34.227 17.275 11.770 1.00 0.00 C ATOM 393 OD1 ASN A 25 34.925 17.021 12.842 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 33.794 16.362 11.095 1.00 0.00 N flip ATOM 0 H ASN A 25 33.407 18.903 13.797 1.00 0.00 H new ATOM 0 HA ASN A 25 35.800 19.414 12.273 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.891 18.944 11.444 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.255 18.901 10.344 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.248 16.562 10.257 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.976 15.396 11.367 1.00 0.00 H new ATOM 401 N VAL A 26 33.455 21.709 12.258 1.00 0.00 N ATOM 402 CA VAL A 26 33.202 23.118 11.857 1.00 0.00 C ATOM 403 C VAL A 26 34.146 24.047 12.624 1.00 0.00 C ATOM 404 O VAL A 26 34.550 25.078 12.123 1.00 0.00 O ATOM 405 CB VAL A 26 31.747 23.479 12.155 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.486 24.928 11.754 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.826 22.573 11.341 1.00 0.00 C ATOM 0 H VAL A 26 32.730 21.284 12.836 1.00 0.00 H new ATOM 0 HA VAL A 26 33.384 23.234 10.789 1.00 0.00 H new ATOM 0 HB VAL A 26 31.556 23.350 13.220 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.448 25.183 11.967 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.145 25.586 12.320 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.678 25.051 10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.787 22.827 11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.026 22.711 10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.007 21.533 11.612 1.00 0.00 H new ATOM 417 N LYS A 27 34.518 23.691 13.827 1.00 0.00 N ATOM 418 CA LYS A 27 35.448 24.559 14.602 1.00 0.00 C ATOM 419 C LYS A 27 36.810 24.510 13.920 1.00 0.00 C ATOM 420 O LYS A 27 37.534 25.484 13.866 1.00 0.00 O ATOM 421 CB LYS A 27 35.572 24.033 16.040 1.00 0.00 C ATOM 422 CG LYS A 27 34.379 24.505 16.875 1.00 0.00 C ATOM 423 CD LYS A 27 34.445 23.865 18.267 1.00 0.00 C ATOM 424 CE LYS A 27 33.530 24.627 19.229 1.00 0.00 C ATOM 425 NZ LYS A 27 34.132 25.956 19.535 1.00 0.00 N ATOM 0 H LYS A 27 34.218 22.840 14.303 1.00 0.00 H new ATOM 0 HA LYS A 27 35.074 25.582 14.636 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.615 22.944 16.035 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.501 24.387 16.486 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.389 25.592 16.962 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.446 24.233 16.382 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.141 22.820 18.212 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.470 23.880 18.636 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.543 24.756 18.785 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.394 24.057 20.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.771 26.298 20.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.167 25.865 19.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.878 26.633 18.787 1.00 0.00 H new ATOM 439 N ALA A 28 37.146 23.376 13.382 1.00 0.00 N ATOM 440 CA ALA A 28 38.439 23.234 12.677 1.00 0.00 C ATOM 441 C ALA A 28 38.448 24.199 11.490 1.00 0.00 C ATOM 442 O ALA A 28 39.384 24.947 11.288 1.00 0.00 O ATOM 443 CB ALA A 28 38.564 21.793 12.186 1.00 0.00 C ATOM 0 H ALA A 28 36.572 22.533 13.402 1.00 0.00 H new ATOM 0 HA ALA A 28 39.275 23.464 13.337 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.512 21.668 11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.527 21.114 13.038 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.742 21.568 11.506 1.00 0.00 H new ATOM 449 N LYS A 29 37.401 24.184 10.710 1.00 0.00 N ATOM 450 CA LYS A 29 37.332 25.100 9.539 1.00 0.00 C ATOM 451 C LYS A 29 37.507 26.541 10.022 1.00 0.00 C ATOM 452 O LYS A 29 38.266 27.307 9.464 1.00 0.00 O ATOM 453 CB LYS A 29 35.970 24.962 8.860 1.00 0.00 C ATOM 454 CG LYS A 29 35.840 23.568 8.246 1.00 0.00 C ATOM 455 CD LYS A 29 34.462 23.430 7.599 1.00 0.00 C ATOM 456 CE LYS A 29 34.321 22.039 6.983 1.00 0.00 C ATOM 457 NZ LYS A 29 33.000 21.931 6.299 1.00 0.00 N ATOM 0 H LYS A 29 36.591 23.576 10.834 1.00 0.00 H new ATOM 0 HA LYS A 29 38.119 24.845 8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.173 25.126 9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.859 25.722 8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.621 23.411 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.972 22.806 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.682 23.590 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 29 34.331 24.193 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 29 35.127 21.861 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.405 21.276 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 32.903 20.984 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 32.238 22.083 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 32.937 22.650 5.550 1.00 0.00 H new ATOM 471 N ILE A 30 36.808 26.913 11.059 1.00 0.00 N ATOM 472 CA ILE A 30 36.927 28.302 11.583 1.00 0.00 C ATOM 473 C ILE A 30 38.356 28.543 12.073 1.00 0.00 C ATOM 474 O ILE A 30 38.928 29.587 11.844 1.00 0.00 O ATOM 475 CB ILE A 30 35.948 28.494 12.744 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.515 28.413 12.212 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.172 29.869 13.387 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.543 28.258 13.382 1.00 0.00 C ATOM 0 H ILE A 30 36.158 26.313 11.567 1.00 0.00 H new ATOM 0 HA ILE A 30 36.693 29.011 10.789 1.00 0.00 H new ATOM 0 HB ILE A 30 36.111 27.715 13.489 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.276 29.312 11.644 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.417 27.569 11.530 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.474 30.003 14.213 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.194 29.933 13.762 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.008 30.649 12.644 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.523 28.200 13.002 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.778 27.346 13.932 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.635 29.117 14.047 1.00 0.00 H new ATOM 490 N GLN A 31 38.930 27.589 12.750 1.00 0.00 N ATOM 491 CA GLN A 31 40.318 27.764 13.263 1.00 0.00 C ATOM 492 C GLN A 31 41.296 27.900 12.091 1.00 0.00 C ATOM 493 O GLN A 31 42.162 28.748 12.087 1.00 0.00 O ATOM 494 CB GLN A 31 40.696 26.537 14.097 1.00 0.00 C ATOM 495 CG GLN A 31 42.068 26.749 14.740 1.00 0.00 C ATOM 496 CD GLN A 31 42.420 25.531 15.597 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.928 25.670 16.691 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.169 24.333 15.142 1.00 0.00 N ATOM 0 H GLN A 31 38.497 26.692 12.971 1.00 0.00 H new ATOM 0 HA GLN A 31 40.368 28.664 13.875 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.945 26.365 14.869 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.714 25.648 13.466 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.824 26.896 13.969 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.059 27.650 15.354 1.00 0.00 H new ATOM 0 HE21 GLN A 31 41.742 24.216 14.223 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.400 23.515 15.706 1.00 0.00 H new ATOM 507 N ASP A 32 41.175 27.052 11.111 1.00 0.00 N ATOM 508 CA ASP A 32 42.109 27.102 9.948 1.00 0.00 C ATOM 509 C ASP A 32 41.999 28.436 9.197 1.00 0.00 C ATOM 510 O ASP A 32 42.955 28.894 8.603 1.00 0.00 O ATOM 511 CB ASP A 32 41.773 25.959 8.988 1.00 0.00 C ATOM 512 CG ASP A 32 42.855 25.860 7.911 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.774 26.606 6.949 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.745 25.041 8.066 1.00 0.00 O ATOM 0 H ASP A 32 40.466 26.321 11.063 1.00 0.00 H new ATOM 0 HA ASP A 32 43.128 27.004 10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.703 25.019 9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.801 26.132 8.527 1.00 0.00 H new ATOM 519 N LYS A 33 40.843 29.053 9.188 1.00 0.00 N ATOM 520 CA LYS A 33 40.687 30.341 8.436 1.00 0.00 C ATOM 521 C LYS A 33 40.862 31.552 9.363 1.00 0.00 C ATOM 522 O LYS A 33 41.510 32.517 9.011 1.00 0.00 O ATOM 523 CB LYS A 33 39.294 30.377 7.806 1.00 0.00 C ATOM 524 CG LYS A 33 39.128 29.159 6.896 1.00 0.00 C ATOM 525 CD LYS A 33 37.810 29.262 6.127 1.00 0.00 C ATOM 526 CE LYS A 33 37.644 28.029 5.237 1.00 0.00 C ATOM 527 NZ LYS A 33 37.498 26.816 6.090 1.00 0.00 N ATOM 0 H LYS A 33 40.004 28.724 9.665 1.00 0.00 H new ATOM 0 HA LYS A 33 41.457 30.393 7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.529 30.374 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 33 39.163 31.295 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.963 29.099 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.142 28.245 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.975 29.337 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.800 30.167 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.769 28.144 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.507 27.923 4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 36.803 26.172 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.416 26.333 6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 37.173 27.095 7.038 1.00 0.00 H new ATOM 541 N GLU A 34 40.282 31.526 10.534 1.00 0.00 N ATOM 542 CA GLU A 34 40.415 32.696 11.459 1.00 0.00 C ATOM 543 C GLU A 34 41.674 32.542 12.319 1.00 0.00 C ATOM 544 O GLU A 34 42.270 33.513 12.742 1.00 0.00 O ATOM 545 CB GLU A 34 39.175 32.775 12.351 1.00 0.00 C ATOM 546 CG GLU A 34 37.943 33.005 11.470 1.00 0.00 C ATOM 547 CD GLU A 34 36.737 33.349 12.347 1.00 0.00 C ATOM 548 OE1 GLU A 34 36.936 33.598 13.524 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.635 33.360 11.823 1.00 0.00 O ATOM 0 H GLU A 34 39.724 30.750 10.891 1.00 0.00 H new ATOM 0 HA GLU A 34 40.501 33.614 10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.063 31.854 12.923 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.280 33.586 13.071 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.134 33.814 10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.733 32.112 10.881 1.00 0.00 H new ATOM 556 N GLY A 35 42.098 31.333 12.559 1.00 0.00 N ATOM 557 CA GLY A 35 43.336 31.121 13.364 1.00 0.00 C ATOM 558 C GLY A 35 43.055 31.284 14.862 1.00 0.00 C ATOM 559 O GLY A 35 43.943 31.141 15.680 1.00 0.00 O ATOM 0 H GLY A 35 41.642 30.481 12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.732 30.124 13.172 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.101 31.833 13.055 1.00 0.00 H new ATOM 563 N ILE A 36 41.840 31.579 15.241 1.00 0.00 N ATOM 564 CA ILE A 36 41.544 31.741 16.696 1.00 0.00 C ATOM 565 C ILE A 36 41.473 30.344 17.342 1.00 0.00 C ATOM 566 O ILE A 36 40.846 29.457 16.800 1.00 0.00 O ATOM 567 CB ILE A 36 40.199 32.453 16.868 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.210 33.765 16.079 1.00 0.00 C ATOM 569 CG2 ILE A 36 39.964 32.761 18.348 1.00 0.00 C ATOM 570 CD1 ILE A 36 38.809 34.375 16.086 1.00 0.00 C ATOM 0 H ILE A 36 41.047 31.714 14.614 1.00 0.00 H new ATOM 0 HA ILE A 36 42.325 32.333 17.172 1.00 0.00 H new ATOM 0 HB ILE A 36 39.403 31.807 16.498 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.924 34.461 16.520 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.534 33.583 15.054 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.006 33.268 18.467 1.00 0.00 H new ATOM 0 HG22 ILE A 36 39.955 31.831 18.916 1.00 0.00 H new ATOM 0 HG23 ILE A 36 40.763 33.404 18.717 1.00 0.00 H new ATOM 0 HD11 ILE A 36 38.816 35.309 15.524 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.107 33.680 15.625 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.503 34.572 17.113 1.00 0.00 H new ATOM 582 N PRO A 37 42.105 30.126 18.479 1.00 0.00 N ATOM 583 CA PRO A 37 42.078 28.786 19.139 1.00 0.00 C ATOM 584 C PRO A 37 40.695 28.471 19.766 1.00 0.00 C ATOM 585 O PRO A 37 40.130 29.296 20.466 1.00 0.00 O ATOM 586 CB PRO A 37 43.159 28.898 20.228 1.00 0.00 C ATOM 587 CG PRO A 37 43.240 30.355 20.549 1.00 0.00 C ATOM 588 CD PRO A 37 42.905 31.099 19.252 1.00 0.00 C ATOM 0 HA PRO A 37 42.259 27.977 18.431 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.892 28.315 21.109 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.117 28.519 19.873 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.539 30.618 21.341 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.236 30.620 20.904 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.342 32.012 19.449 1.00 0.00 H new ATOM 0 HD3 PRO A 37 43.807 31.391 18.715 1.00 0.00 H new ATOM 596 N PRO A 38 40.150 27.286 19.544 1.00 0.00 N ATOM 597 CA PRO A 38 38.833 26.898 20.129 1.00 0.00 C ATOM 598 C PRO A 38 38.707 27.249 21.617 1.00 0.00 C ATOM 599 O PRO A 38 37.617 27.417 22.127 1.00 0.00 O ATOM 600 CB PRO A 38 38.797 25.385 19.948 1.00 0.00 C ATOM 601 CG PRO A 38 39.549 25.166 18.691 1.00 0.00 C ATOM 602 CD PRO A 38 40.685 26.193 18.701 1.00 0.00 C ATOM 0 HA PRO A 38 38.014 27.429 19.645 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.262 24.870 20.788 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.775 25.014 19.873 1.00 0.00 H new ATOM 0 HG2 PRO A 38 39.941 24.150 18.641 1.00 0.00 H new ATOM 0 HG3 PRO A 38 38.906 25.302 17.822 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.601 25.775 19.118 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.922 26.540 17.695 1.00 0.00 H new ATOM 610 N ASP A 39 39.804 27.343 22.326 1.00 0.00 N ATOM 611 CA ASP A 39 39.722 27.656 23.779 1.00 0.00 C ATOM 612 C ASP A 39 39.462 29.146 23.987 1.00 0.00 C ATOM 613 O ASP A 39 39.296 29.593 25.103 1.00 0.00 O ATOM 614 CB ASP A 39 41.044 27.282 24.450 1.00 0.00 C ATOM 615 CG ASP A 39 41.344 25.804 24.202 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.461 24.993 24.431 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.453 25.507 23.788 1.00 0.00 O ATOM 0 H ASP A 39 40.748 27.217 21.960 1.00 0.00 H new ATOM 0 HA ASP A 39 38.903 27.086 24.217 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.851 27.899 24.055 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.988 27.478 25.521 1.00 0.00 H new ATOM 622 N GLN A 40 39.424 29.920 22.928 1.00 0.00 N ATOM 623 CA GLN A 40 39.167 31.389 23.071 1.00 0.00 C ATOM 624 C GLN A 40 37.800 31.726 22.476 1.00 0.00 C ATOM 625 O GLN A 40 37.154 32.660 22.903 1.00 0.00 O ATOM 626 CB GLN A 40 40.243 32.183 22.314 1.00 0.00 C ATOM 627 CG GLN A 40 41.512 32.292 23.164 1.00 0.00 C ATOM 628 CD GLN A 40 42.603 33.001 22.357 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.266 33.934 21.507 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 43.773 32.705 22.501 1.00 0.00 N flip ATOM 0 H GLN A 40 39.560 29.597 21.970 1.00 0.00 H new ATOM 0 HA GLN A 40 39.191 31.652 24.128 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.471 31.691 21.368 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.870 33.179 22.074 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.304 32.845 24.080 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.851 31.300 23.461 1.00 0.00 H new ATOM 0 HE21 GLN A 40 44.037 31.977 23.165 1.00 0.00 H new ATOM 0 HE22 GLN A 40 44.491 33.185 21.958 1.00 0.00 H new ATOM 639 N GLN A 41 37.361 30.986 21.480 1.00 0.00 N ATOM 640 CA GLN A 41 36.032 31.287 20.846 1.00 0.00 C ATOM 641 C GLN A 41 34.983 30.235 21.239 1.00 0.00 C ATOM 642 O GLN A 41 35.274 29.065 21.389 1.00 0.00 O ATOM 643 CB GLN A 41 36.195 31.306 19.326 1.00 0.00 C ATOM 644 CG GLN A 41 36.990 30.081 18.876 1.00 0.00 C ATOM 645 CD GLN A 41 36.997 30.018 17.348 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.338 30.803 16.694 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.719 29.114 16.747 1.00 0.00 N ATOM 0 H GLN A 41 37.862 30.192 21.081 1.00 0.00 H new ATOM 0 HA GLN A 41 35.688 32.259 21.199 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.216 31.312 18.846 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.707 32.217 19.017 1.00 0.00 H new ATOM 0 HG2 GLN A 41 38.011 30.136 19.254 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.547 29.174 19.287 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.272 28.455 17.296 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.731 29.065 15.728 1.00 0.00 H new ATOM 656 N ARG A 42 33.757 30.675 21.426 1.00 0.00 N ATOM 657 CA ARG A 42 32.639 29.761 21.831 1.00 0.00 C ATOM 658 C ARG A 42 31.458 30.015 20.887 1.00 0.00 C ATOM 659 O ARG A 42 31.033 31.140 20.705 1.00 0.00 O ATOM 660 CB ARG A 42 32.269 30.058 23.294 1.00 0.00 C ATOM 661 CG ARG A 42 33.574 30.012 24.089 1.00 0.00 C ATOM 662 CD ARG A 42 33.405 30.348 25.584 1.00 0.00 C ATOM 663 NE ARG A 42 31.994 30.229 26.086 1.00 0.00 N ATOM 664 CZ ARG A 42 31.626 30.950 27.132 1.00 0.00 C ATOM 665 NH1 ARG A 42 30.487 30.723 27.751 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.391 31.929 27.554 1.00 0.00 N ATOM 0 H ARG A 42 33.481 31.650 21.312 1.00 0.00 H new ATOM 0 HA ARG A 42 32.927 28.712 21.760 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.794 31.035 23.384 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.558 29.323 23.672 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.010 29.017 23.997 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.283 30.712 23.647 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.044 29.686 26.168 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.756 31.365 25.758 1.00 0.00 H new ATOM 0 HE ARG A 42 31.331 29.603 25.628 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.869 29.979 27.426 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.222 31.291 28.556 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.268 32.133 27.075 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.108 32.486 28.361 1.00 0.00 H new ATOM 680 N LEU A 43 30.953 28.989 20.244 1.00 0.00 N ATOM 681 CA LEU A 43 29.833 29.191 19.269 1.00 0.00 C ATOM 682 C LEU A 43 28.477 28.919 19.921 1.00 0.00 C ATOM 683 O LEU A 43 28.208 27.839 20.423 1.00 0.00 O ATOM 684 CB LEU A 43 30.022 28.240 18.079 1.00 0.00 C ATOM 685 CG LEU A 43 31.227 28.692 17.221 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.822 27.489 16.484 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.780 29.731 16.182 1.00 0.00 C ATOM 0 H LEU A 43 31.266 28.024 20.351 1.00 0.00 H new ATOM 0 HA LEU A 43 29.851 30.228 18.933 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.183 27.224 18.438 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.118 28.224 17.470 1.00 0.00 H new ATOM 0 HG LEU A 43 31.974 29.132 17.882 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.670 27.814 15.882 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.155 26.747 17.209 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.065 27.048 15.836 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.638 30.041 15.585 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.024 29.292 15.531 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.361 30.598 16.692 1.00 0.00 H new ATOM 699 N ILE A 44 27.609 29.900 19.887 1.00 0.00 N ATOM 700 CA ILE A 44 26.244 29.745 20.470 1.00 0.00 C ATOM 701 C ILE A 44 25.209 29.934 19.356 1.00 0.00 C ATOM 702 O ILE A 44 25.288 30.859 18.568 1.00 0.00 O ATOM 703 CB ILE A 44 26.016 30.812 21.552 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.863 30.489 22.797 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.531 30.834 21.949 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.364 30.691 22.519 1.00 0.00 C ATOM 0 H ILE A 44 27.793 30.814 19.473 1.00 0.00 H new ATOM 0 HA ILE A 44 26.146 28.755 20.914 1.00 0.00 H new ATOM 0 HB ILE A 44 26.308 31.784 21.156 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.555 31.128 23.625 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.683 29.459 23.105 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.371 31.591 22.716 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.924 31.069 21.075 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.244 29.857 22.338 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.935 30.455 23.417 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.675 30.033 21.707 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.545 31.728 22.236 1.00 0.00 H new ATOM 718 N PHE A 45 24.228 29.071 19.310 1.00 0.00 N ATOM 719 CA PHE A 45 23.147 29.182 18.283 1.00 0.00 C ATOM 720 C PHE A 45 21.823 29.348 19.026 1.00 0.00 C ATOM 721 O PHE A 45 21.555 28.659 19.991 1.00 0.00 O ATOM 722 CB PHE A 45 23.113 27.910 17.421 1.00 0.00 C ATOM 723 CG PHE A 45 21.814 27.859 16.642 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.708 28.511 15.408 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.713 27.171 17.167 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.502 28.474 14.698 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.508 27.132 16.455 1.00 0.00 C ATOM 728 CZ PHE A 45 19.403 27.784 15.221 1.00 0.00 C ATOM 0 H PHE A 45 24.128 28.282 19.949 1.00 0.00 H new ATOM 0 HA PHE A 45 23.325 30.033 17.626 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.961 27.900 16.736 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.204 27.027 18.054 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.557 29.043 15.004 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.793 26.671 18.121 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.420 28.978 13.746 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.660 26.599 16.858 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.473 27.754 14.672 1.00 0.00 H new ATOM 738 N ALA A 46 20.996 30.262 18.601 1.00 0.00 N ATOM 739 CA ALA A 46 19.702 30.468 19.306 1.00 0.00 C ATOM 740 C ALA A 46 19.972 30.582 20.810 1.00 0.00 C ATOM 741 O ALA A 46 20.517 31.565 21.272 1.00 0.00 O ATOM 742 CB ALA A 46 18.773 29.283 19.022 1.00 0.00 C ATOM 0 H ALA A 46 21.159 30.872 17.800 1.00 0.00 H new ATOM 0 HA ALA A 46 19.222 31.381 18.954 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.825 29.432 19.538 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.595 29.209 17.949 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.238 28.363 19.377 1.00 0.00 H new ATOM 748 N GLY A 47 19.586 29.592 21.580 1.00 0.00 N ATOM 749 CA GLY A 47 19.806 29.639 23.060 1.00 0.00 C ATOM 750 C GLY A 47 20.522 28.369 23.526 1.00 0.00 C ATOM 751 O GLY A 47 20.306 27.904 24.629 1.00 0.00 O ATOM 0 H GLY A 47 19.124 28.747 21.243 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.399 30.516 23.320 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.850 29.737 23.575 1.00 0.00 H new ATOM 755 N LYS A 48 21.391 27.809 22.711 1.00 0.00 N ATOM 756 CA LYS A 48 22.141 26.578 23.132 1.00 0.00 C ATOM 757 C LYS A 48 23.612 26.738 22.795 1.00 0.00 C ATOM 758 O LYS A 48 23.995 27.452 21.891 1.00 0.00 O ATOM 759 CB LYS A 48 21.627 25.309 22.414 1.00 0.00 C ATOM 760 CG LYS A 48 20.289 24.846 23.021 1.00 0.00 C ATOM 761 CD LYS A 48 19.115 25.522 22.300 1.00 0.00 C ATOM 762 CE LYS A 48 17.855 25.441 23.167 1.00 0.00 C ATOM 763 NZ LYS A 48 16.738 26.150 22.483 1.00 0.00 N ATOM 0 H LYS A 48 21.612 28.151 21.776 1.00 0.00 H new ATOM 0 HA LYS A 48 21.988 26.462 24.205 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.499 25.513 21.351 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.366 24.512 22.499 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.200 23.763 22.939 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.260 25.088 24.083 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.357 26.564 22.091 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.938 25.037 21.340 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.586 24.399 23.341 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.042 25.890 24.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.881 26.096 23.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.996 27.147 22.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.555 25.703 21.562 1.00 0.00 H new ATOM 777 N GLN A 49 24.430 26.041 23.521 1.00 0.00 N ATOM 778 CA GLN A 49 25.894 26.086 23.275 1.00 0.00 C ATOM 779 C GLN A 49 26.277 24.860 22.460 1.00 0.00 C ATOM 780 O GLN A 49 26.123 23.737 22.898 1.00 0.00 O ATOM 781 CB GLN A 49 26.640 26.072 24.597 1.00 0.00 C ATOM 782 CG GLN A 49 26.041 27.129 25.521 1.00 0.00 C ATOM 783 CD GLN A 49 26.885 27.242 26.791 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.097 27.284 26.727 1.00 0.00 O ATOM 785 NE2 GLN A 49 26.291 27.293 27.953 1.00 0.00 N ATOM 0 H GLN A 49 24.144 25.432 24.287 1.00 0.00 H new ATOM 0 HA GLN A 49 26.155 26.997 22.736 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.570 25.087 25.058 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.699 26.272 24.433 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.003 28.092 25.011 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.015 26.863 25.777 1.00 0.00 H new ATOM 0 HE21 GLN A 49 25.273 27.258 28.007 1.00 0.00 H new ATOM 0 HE22 GLN A 49 26.845 27.368 28.806 1.00 0.00 H new ATOM 794 N LEU A 50 26.747 25.059 21.270 1.00 0.00 N ATOM 795 CA LEU A 50 27.110 23.896 20.413 1.00 0.00 C ATOM 796 C LEU A 50 28.075 22.977 21.166 1.00 0.00 C ATOM 797 O LEU A 50 29.152 23.380 21.561 1.00 0.00 O ATOM 798 CB LEU A 50 27.757 24.408 19.124 1.00 0.00 C ATOM 799 CG LEU A 50 26.877 25.503 18.506 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.455 25.919 17.152 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.446 24.975 18.310 1.00 0.00 C ATOM 0 H LEU A 50 26.898 25.975 20.848 1.00 0.00 H new ATOM 0 HA LEU A 50 26.215 23.326 20.164 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.751 24.802 19.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.884 23.587 18.418 1.00 0.00 H new ATOM 0 HG LEU A 50 26.854 26.364 19.175 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.830 26.697 16.713 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.466 26.301 17.290 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.481 25.056 16.487 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.827 25.757 17.871 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.465 24.111 17.646 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.031 24.682 19.274 1.00 0.00 H new ATOM 813 N GLU A 51 27.693 21.739 21.374 1.00 0.00 N ATOM 814 CA GLU A 51 28.574 20.783 22.108 1.00 0.00 C ATOM 815 C GLU A 51 29.418 19.983 21.109 1.00 0.00 C ATOM 816 O GLU A 51 28.962 19.610 20.042 1.00 0.00 O ATOM 817 CB GLU A 51 27.708 19.821 22.922 1.00 0.00 C ATOM 818 CG GLU A 51 26.843 20.615 23.902 1.00 0.00 C ATOM 819 CD GLU A 51 25.948 19.654 24.687 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.010 19.138 24.103 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.219 19.449 25.859 1.00 0.00 O ATOM 0 H GLU A 51 26.803 21.350 21.064 1.00 0.00 H new ATOM 0 HA GLU A 51 29.234 21.339 22.774 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.076 19.233 22.257 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.339 19.118 23.465 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.476 21.181 24.586 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.232 21.338 23.361 1.00 0.00 H new ATOM 828 N ASP A 52 30.645 19.711 21.457 1.00 0.00 N ATOM 829 CA ASP A 52 31.535 18.941 20.548 1.00 0.00 C ATOM 830 C ASP A 52 30.967 17.539 20.310 1.00 0.00 C ATOM 831 O ASP A 52 30.559 16.860 21.229 1.00 0.00 O ATOM 832 CB ASP A 52 32.916 18.820 21.195 1.00 0.00 C ATOM 833 CG ASP A 52 33.502 20.216 21.414 1.00 0.00 C ATOM 834 OD1 ASP A 52 33.243 20.791 22.457 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.204 20.687 20.533 1.00 0.00 O ATOM 0 H ASP A 52 31.071 19.992 22.340 1.00 0.00 H new ATOM 0 HA ASP A 52 31.608 19.460 19.592 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.839 18.293 22.146 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.577 18.232 20.558 1.00 0.00 H new ATOM 840 N GLY A 53 30.970 17.090 19.080 1.00 0.00 N ATOM 841 CA GLY A 53 30.469 15.719 18.770 1.00 0.00 C ATOM 842 C GLY A 53 29.037 15.744 18.203 1.00 0.00 C ATOM 843 O GLY A 53 28.611 14.782 17.597 1.00 0.00 O ATOM 0 H GLY A 53 31.301 17.619 18.273 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.136 15.243 18.051 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.490 15.112 19.675 1.00 0.00 H new ATOM 847 N ARG A 54 28.274 16.809 18.380 1.00 0.00 N ATOM 848 CA ARG A 54 26.871 16.805 17.821 1.00 0.00 C ATOM 849 C ARG A 54 26.872 17.376 16.397 1.00 0.00 C ATOM 850 O ARG A 54 27.798 18.043 15.979 1.00 0.00 O ATOM 851 CB ARG A 54 25.915 17.591 18.756 1.00 0.00 C ATOM 852 CG ARG A 54 25.728 16.753 20.035 1.00 0.00 C ATOM 853 CD ARG A 54 24.572 17.229 20.962 1.00 0.00 C ATOM 854 NE ARG A 54 23.870 18.475 20.499 1.00 0.00 N ATOM 855 CZ ARG A 54 22.595 18.662 20.828 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.019 19.834 20.690 1.00 0.00 N ATOM 857 NH2 ARG A 54 21.874 17.656 21.261 1.00 0.00 N ATOM 0 H ARG A 54 28.551 17.658 18.873 1.00 0.00 H new ATOM 0 HA ARG A 54 26.506 15.779 17.769 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.331 18.569 18.996 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.956 17.764 18.267 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.544 15.717 19.750 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.659 16.767 20.602 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.840 16.426 21.049 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.973 17.404 21.960 1.00 0.00 H new ATOM 0 HE ARG A 54 24.366 19.169 19.939 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.551 20.624 20.324 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.040 19.955 20.949 1.00 0.00 H new ATOM 0 HH21 ARG A 54 22.291 16.729 21.346 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.896 17.801 21.513 1.00 0.00 H new ATOM 871 N THR A 55 25.847 17.075 15.640 1.00 0.00 N ATOM 872 CA THR A 55 25.760 17.549 14.227 1.00 0.00 C ATOM 873 C THR A 55 24.794 18.727 14.132 1.00 0.00 C ATOM 874 O THR A 55 23.899 18.876 14.936 1.00 0.00 O ATOM 875 CB THR A 55 25.236 16.401 13.361 1.00 0.00 C ATOM 876 OG1 THR A 55 24.044 15.887 13.939 1.00 0.00 O ATOM 877 CG2 THR A 55 26.291 15.298 13.286 1.00 0.00 C ATOM 0 H THR A 55 25.054 16.511 15.948 1.00 0.00 H new ATOM 0 HA THR A 55 26.745 17.867 13.885 1.00 0.00 H new ATOM 0 HB THR A 55 25.025 16.764 12.355 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.295 16.028 13.323 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.919 14.480 12.669 1.00 0.00 H new ATOM 0 HG22 THR A 55 27.205 15.698 12.846 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.503 14.929 14.289 1.00 0.00 H new ATOM 885 N LEU A 56 24.967 19.561 13.151 1.00 0.00 N ATOM 886 CA LEU A 56 24.059 20.736 13.007 1.00 0.00 C ATOM 887 C LEU A 56 22.604 20.253 12.890 1.00 0.00 C ATOM 888 O LEU A 56 21.686 20.871 13.404 1.00 0.00 O ATOM 889 CB LEU A 56 24.453 21.520 11.750 1.00 0.00 C ATOM 890 CG LEU A 56 25.666 22.411 12.045 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.898 21.544 12.309 1.00 0.00 C ATOM 892 CD2 LEU A 56 25.931 23.309 10.840 1.00 0.00 C ATOM 0 H LEU A 56 25.696 19.484 12.441 1.00 0.00 H new ATOM 0 HA LEU A 56 24.147 21.381 13.881 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.687 20.830 10.940 1.00 0.00 H new ATOM 0 HB3 LEU A 56 23.615 22.132 11.416 1.00 0.00 H new ATOM 0 HG LEU A 56 25.461 23.020 12.926 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.755 22.184 12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.711 20.897 13.166 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.107 20.932 11.432 1.00 0.00 H new ATOM 0 HD21 LEU A 56 26.792 23.945 11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.134 22.692 9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.057 23.932 10.651 1.00 0.00 H new ATOM 904 N SER A 57 22.383 19.160 12.216 1.00 0.00 N ATOM 905 CA SER A 57 20.991 18.650 12.067 1.00 0.00 C ATOM 906 C SER A 57 20.373 18.436 13.452 1.00 0.00 C ATOM 907 O SER A 57 19.169 18.352 13.599 1.00 0.00 O ATOM 908 CB SER A 57 21.011 17.322 11.307 1.00 0.00 C ATOM 909 OG SER A 57 21.705 16.348 12.077 1.00 0.00 O ATOM 0 H SER A 57 23.104 18.598 11.763 1.00 0.00 H new ATOM 0 HA SER A 57 20.397 19.377 11.513 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.992 16.988 11.110 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.497 17.451 10.340 1.00 0.00 H new ATOM 0 HG SER A 57 21.718 15.496 11.593 1.00 0.00 H new ATOM 915 N ASP A 58 21.187 18.347 14.467 1.00 0.00 N ATOM 916 CA ASP A 58 20.637 18.137 15.835 1.00 0.00 C ATOM 917 C ASP A 58 20.058 19.453 16.348 1.00 0.00 C ATOM 918 O ASP A 58 19.257 19.475 17.260 1.00 0.00 O ATOM 919 CB ASP A 58 21.747 17.672 16.780 1.00 0.00 C ATOM 920 CG ASP A 58 22.301 16.330 16.302 1.00 0.00 C ATOM 921 OD1 ASP A 58 21.752 15.787 15.358 1.00 0.00 O ATOM 922 OD2 ASP A 58 23.264 15.866 16.891 1.00 0.00 O ATOM 0 H ASP A 58 22.203 18.410 14.409 1.00 0.00 H new ATOM 0 HA ASP A 58 19.858 17.376 15.797 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.544 18.415 16.813 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.358 17.576 17.794 1.00 0.00 H new ATOM 927 N TYR A 59 20.459 20.555 15.763 1.00 0.00 N ATOM 928 CA TYR A 59 19.946 21.886 16.210 1.00 0.00 C ATOM 929 C TYR A 59 18.907 22.404 15.214 1.00 0.00 C ATOM 930 O TYR A 59 18.213 23.361 15.491 1.00 0.00 O ATOM 931 CB TYR A 59 21.116 22.880 16.284 1.00 0.00 C ATOM 932 CG TYR A 59 21.830 22.734 17.609 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.155 22.283 17.656 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.163 23.067 18.793 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.809 22.168 18.889 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.816 22.948 20.022 1.00 0.00 C ATOM 937 CZ TYR A 59 23.138 22.500 20.072 1.00 0.00 C ATOM 938 OH TYR A 59 23.782 22.384 21.286 1.00 0.00 O ATOM 0 H TYR A 59 21.124 20.589 14.990 1.00 0.00 H new ATOM 0 HA TYR A 59 19.483 21.783 17.192 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.811 22.699 15.464 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.747 23.899 16.170 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.671 22.024 16.743 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.142 23.417 18.757 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.832 21.823 18.927 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.298 23.203 20.935 1.00 0.00 H new ATOM 0 HH TYR A 59 24.695 22.058 21.142 1.00 0.00 H new ATOM 948 N ASN A 60 18.789 21.797 14.063 1.00 0.00 N ATOM 949 CA ASN A 60 17.784 22.284 13.070 1.00 0.00 C ATOM 950 C ASN A 60 18.102 23.728 12.686 1.00 0.00 C ATOM 951 O ASN A 60 17.239 24.585 12.671 1.00 0.00 O ATOM 952 CB ASN A 60 16.373 22.204 13.671 1.00 0.00 C ATOM 953 CG ASN A 60 15.333 22.282 12.551 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.466 21.627 11.536 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.296 23.060 12.695 1.00 0.00 N ATOM 0 H ASN A 60 19.340 20.991 13.768 1.00 0.00 H new ATOM 0 HA ASN A 60 17.826 21.656 12.180 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.255 21.273 14.226 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.222 23.019 14.379 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.596 23.119 11.955 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.185 23.609 13.547 1.00 0.00 H new ATOM 962 N ILE A 61 19.336 24.001 12.371 1.00 0.00 N ATOM 963 CA ILE A 61 19.727 25.383 11.978 1.00 0.00 C ATOM 964 C ILE A 61 19.131 25.702 10.601 1.00 0.00 C ATOM 965 O ILE A 61 18.591 24.837 9.940 1.00 0.00 O ATOM 966 CB ILE A 61 21.258 25.467 11.938 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.796 25.325 13.367 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.702 26.813 11.356 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.310 25.114 13.332 1.00 0.00 C ATOM 0 H ILE A 61 20.096 23.321 12.369 1.00 0.00 H new ATOM 0 HA ILE A 61 19.348 26.109 12.698 1.00 0.00 H new ATOM 0 HB ILE A 61 21.648 24.669 11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.557 26.217 13.946 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.314 24.484 13.865 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.791 26.858 11.334 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.314 26.917 10.343 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.318 27.622 11.977 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.687 25.014 14.350 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.538 24.209 12.770 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.786 25.969 12.852 1.00 0.00 H new ATOM 981 N GLN A 62 19.219 26.938 10.168 1.00 0.00 N ATOM 982 CA GLN A 62 18.655 27.328 8.834 1.00 0.00 C ATOM 983 C GLN A 62 19.723 28.062 8.014 1.00 0.00 C ATOM 984 O GLN A 62 20.449 28.900 8.516 1.00 0.00 O ATOM 985 CB GLN A 62 17.448 28.246 9.046 1.00 0.00 C ATOM 986 CG GLN A 62 16.448 27.565 9.987 1.00 0.00 C ATOM 987 CD GLN A 62 15.995 26.233 9.384 1.00 0.00 C ATOM 988 OE1 GLN A 62 15.956 25.227 10.064 1.00 0.00 O ATOM 989 NE2 GLN A 62 15.651 26.182 8.126 1.00 0.00 N ATOM 0 H GLN A 62 19.660 27.699 10.685 1.00 0.00 H new ATOM 0 HA GLN A 62 18.344 26.433 8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.771 29.198 9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.973 28.466 8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.907 27.396 10.961 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.587 28.213 10.149 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.683 27.026 7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.350 25.298 7.715 1.00 0.00 H new ATOM 998 N LYS A 63 19.838 27.733 6.757 1.00 0.00 N ATOM 999 CA LYS A 63 20.868 28.384 5.900 1.00 0.00 C ATOM 1000 C LYS A 63 20.743 29.909 5.967 1.00 0.00 C ATOM 1001 O LYS A 63 19.669 30.458 6.115 1.00 0.00 O ATOM 1002 CB LYS A 63 20.697 27.915 4.451 1.00 0.00 C ATOM 1003 CG LYS A 63 19.303 28.288 3.938 1.00 0.00 C ATOM 1004 CD LYS A 63 19.113 27.711 2.532 1.00 0.00 C ATOM 1005 CE LYS A 63 17.769 28.167 1.960 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.820 29.628 1.671 1.00 0.00 N ATOM 0 H LYS A 63 19.260 27.038 6.285 1.00 0.00 H new ATOM 0 HA LYS A 63 21.856 28.102 6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.459 28.372 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.838 26.836 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.539 27.898 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.188 29.372 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.925 28.038 1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.153 26.622 2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.543 27.613 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.969 27.954 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.061 29.877 1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.693 30.161 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.741 29.867 1.251 1.00 0.00 H new ATOM 1020 N GLU A 64 21.850 30.591 5.844 1.00 0.00 N ATOM 1021 CA GLU A 64 21.844 32.082 5.879 1.00 0.00 C ATOM 1022 C GLU A 64 21.491 32.581 7.289 1.00 0.00 C ATOM 1023 O GLU A 64 21.247 33.754 7.493 1.00 0.00 O ATOM 1024 CB GLU A 64 20.834 32.622 4.842 1.00 0.00 C ATOM 1025 CG GLU A 64 21.392 33.881 4.158 1.00 0.00 C ATOM 1026 CD GLU A 64 21.776 34.917 5.216 1.00 0.00 C ATOM 1027 OE1 GLU A 64 20.928 35.721 5.565 1.00 0.00 O ATOM 1028 OE2 GLU A 64 22.911 34.887 5.663 1.00 0.00 O ATOM 0 H GLU A 64 22.771 30.172 5.719 1.00 0.00 H new ATOM 0 HA GLU A 64 22.839 32.450 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.625 31.856 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.889 32.855 5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.263 33.623 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.647 34.298 3.480 1.00 0.00 H new ATOM 1066 N LEU A 67 25.007 33.124 13.519 1.00 0.00 N ATOM 1067 CA LEU A 67 25.310 32.566 14.871 1.00 0.00 C ATOM 1068 C LEU A 67 26.007 33.644 15.707 1.00 0.00 C ATOM 1069 O LEU A 67 26.649 34.533 15.179 1.00 0.00 O ATOM 1070 CB LEU A 67 26.247 31.361 14.724 1.00 0.00 C ATOM 1071 CG LEU A 67 25.451 30.135 14.263 1.00 0.00 C ATOM 1072 CD1 LEU A 67 24.685 30.466 12.978 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.419 28.977 13.999 1.00 0.00 C ATOM 0 HA LEU A 67 24.386 32.254 15.358 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.034 31.587 14.004 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.736 31.151 15.675 1.00 0.00 H new ATOM 0 HG LEU A 67 24.740 29.851 15.039 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.121 29.591 12.655 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.998 31.291 13.166 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.390 30.752 12.197 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.858 28.102 13.671 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.128 29.265 13.223 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.960 28.739 14.915 1.00 0.00 H new ATOM 1085 N HIS A 68 25.900 33.570 17.008 1.00 0.00 N ATOM 1086 CA HIS A 68 26.568 34.589 17.875 1.00 0.00 C ATOM 1087 C HIS A 68 27.917 34.041 18.329 1.00 0.00 C ATOM 1088 O HIS A 68 27.992 32.960 18.884 1.00 0.00 O ATOM 1089 CB HIS A 68 25.703 34.859 19.109 1.00 0.00 C ATOM 1090 CG HIS A 68 24.252 34.815 18.721 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.405 33.767 18.448 1.00 0.00 N flip ATOM 1092 CD2 HIS A 68 23.493 35.967 18.565 1.00 0.00 C flip ATOM 1093 CE1 HIS A 68 22.146 34.261 18.128 1.00 0.00 C flip ATOM 1094 NE2 HIS A 68 22.249 35.588 18.212 1.00 0.00 N flip ATOM 0 H HIS A 68 25.380 32.849 17.508 1.00 0.00 H new ATOM 0 HA HIS A 68 26.704 35.514 17.314 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.907 34.116 19.880 1.00 0.00 H new ATOM 0 HB3 HIS A 68 25.948 35.833 19.533 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.837 36.982 18.702 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.268 33.690 17.866 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.482 36.235 18.032 1.00 0.00 H new ATOM 1103 N LEU A 69 28.984 34.767 18.109 1.00 0.00 N ATOM 1104 CA LEU A 69 30.322 34.264 18.544 1.00 0.00 C ATOM 1105 C LEU A 69 30.740 34.949 19.846 1.00 0.00 C ATOM 1106 O LEU A 69 30.995 36.136 19.879 1.00 0.00 O ATOM 1107 CB LEU A 69 31.361 34.567 17.458 1.00 0.00 C ATOM 1108 CG LEU A 69 32.678 33.817 17.758 1.00 0.00 C ATOM 1109 CD1 LEU A 69 32.602 32.373 17.244 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.845 34.527 17.061 1.00 0.00 C ATOM 0 H LEU A 69 28.987 35.678 17.651 1.00 0.00 H new ATOM 0 HA LEU A 69 30.261 33.188 18.706 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.977 34.267 16.483 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.547 35.640 17.411 1.00 0.00 H new ATOM 0 HG LEU A 69 32.833 33.809 18.837 1.00 0.00 H new ATOM 0 HD11 LEU A 69 33.538 31.859 17.463 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.779 31.854 17.736 1.00 0.00 H new ATOM 0 HD13 LEU A 69 32.435 32.379 16.167 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.773 33.996 17.274 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.673 34.539 15.985 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.920 35.551 17.428 1.00 0.00 H new ATOM 1122 N VAL A 70 30.822 34.200 20.918 1.00 0.00 N ATOM 1123 CA VAL A 70 31.238 34.787 22.232 1.00 0.00 C ATOM 1124 C VAL A 70 32.664 34.333 22.542 1.00 0.00 C ATOM 1125 O VAL A 70 33.015 33.192 22.326 1.00 0.00 O ATOM 1126 CB VAL A 70 30.295 34.296 23.333 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.657 34.970 24.658 1.00 0.00 C ATOM 1128 CG2 VAL A 70 28.855 34.653 22.960 1.00 0.00 C ATOM 0 H VAL A 70 30.618 33.201 20.940 1.00 0.00 H new ATOM 0 HA VAL A 70 31.196 35.875 22.183 1.00 0.00 H new ATOM 0 HB VAL A 70 30.391 33.215 23.439 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.984 34.619 25.441 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.684 34.721 24.924 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.561 36.051 24.555 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.180 34.305 23.742 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.763 35.734 22.856 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.594 34.175 22.016 1.00 0.00 H new ATOM 1138 N LEU A 71 33.493 35.215 23.042 1.00 0.00 N ATOM 1139 CA LEU A 71 34.905 34.837 23.362 1.00 0.00 C ATOM 1140 C LEU A 71 35.078 34.770 24.879 1.00 0.00 C ATOM 1141 O LEU A 71 34.241 35.213 25.642 1.00 0.00 O ATOM 1142 CB LEU A 71 35.868 35.891 22.782 1.00 0.00 C ATOM 1143 CG LEU A 71 36.200 35.557 21.325 1.00 0.00 C ATOM 1144 CD1 LEU A 71 34.906 35.381 20.523 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.028 36.698 20.732 1.00 0.00 C ATOM 0 H LEU A 71 33.252 36.185 23.243 1.00 0.00 H new ATOM 0 HA LEU A 71 35.129 33.864 22.924 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.415 36.881 22.842 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.783 35.923 23.373 1.00 0.00 H new ATOM 0 HG LEU A 71 36.769 34.628 21.281 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.149 35.144 19.487 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.319 34.570 20.953 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.328 36.305 20.557 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.270 36.470 19.694 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.455 37.624 20.776 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.949 36.814 21.303 1.00 0.00 H new