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 Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 85:sc= 0.419 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.378 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 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.606 K(o=-0.61,f=-2.5!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.245 (180deg=-0.627) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0405 (180deg=-0.436) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.013 F(o=-1.5!,f=-0.013) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -0.102 (180deg=-0.627) USER MOD Single : A 40 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0.291 (180deg=0.26) USER MOD Single : A 49 GLN : amide:sc=-0.00678 K(o=-0.0068,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000573 USER MOD Single : A 57 SER OG : rot 64:sc= 0.00446 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= 0.0689 X(o=0.069,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 25.522 27.873 3.326 1.00 0.00 N ATOM 21 CA GLN A 2 26.296 29.088 3.727 1.00 0.00 C ATOM 22 C GLN A 2 25.738 29.645 5.038 1.00 0.00 C ATOM 23 O GLN A 2 24.543 29.664 5.259 1.00 0.00 O ATOM 24 CB GLN A 2 26.162 30.152 2.635 1.00 0.00 C ATOM 25 CG GLN A 2 26.780 29.635 1.336 1.00 0.00 C ATOM 26 CD GLN A 2 26.464 30.607 0.198 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.371 30.600 -0.336 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.378 31.450 -0.197 1.00 0.00 N ATOM 0 HA GLN A 2 27.344 28.821 3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.111 30.396 2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.659 31.071 2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.859 29.531 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.387 28.645 1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.294 31.456 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.176 32.103 -0.954 1.00 0.00 H new ATOM 37 N ILE A 3 26.598 30.115 5.904 1.00 0.00 N ATOM 38 CA ILE A 3 26.135 30.694 7.203 1.00 0.00 C ATOM 39 C ILE A 3 26.997 31.918 7.518 1.00 0.00 C ATOM 40 O ILE A 3 28.056 32.093 6.946 1.00 0.00 O ATOM 41 CB ILE A 3 26.277 29.656 8.319 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.681 29.049 8.281 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.240 28.548 8.120 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.884 28.160 9.509 1.00 0.00 C ATOM 0 H ILE A 3 27.609 30.123 5.767 1.00 0.00 H new ATOM 0 HA ILE A 3 25.086 30.982 7.131 1.00 0.00 H new ATOM 0 HB ILE A 3 26.116 30.139 9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.812 28.465 7.370 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.431 29.840 8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.341 27.809 8.914 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.239 28.977 8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.401 28.068 7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.884 27.727 9.483 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.771 28.758 10.414 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.142 27.361 9.507 1.00 0.00 H new ATOM 56 N PHE A 4 26.558 32.768 8.417 1.00 0.00 N ATOM 57 CA PHE A 4 27.353 33.990 8.761 1.00 0.00 C ATOM 58 C PHE A 4 27.653 34.004 10.258 1.00 0.00 C ATOM 59 O PHE A 4 26.855 33.570 11.061 1.00 0.00 O ATOM 60 CB PHE A 4 26.543 35.237 8.400 1.00 0.00 C ATOM 61 CG PHE A 4 26.313 35.281 6.908 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.203 34.637 6.350 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.210 35.972 6.084 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.990 34.683 4.968 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.997 36.016 4.702 1.00 0.00 C ATOM 66 CZ PHE A 4 25.887 35.372 4.143 1.00 0.00 C ATOM 0 H PHE A 4 25.681 32.667 8.928 1.00 0.00 H new ATOM 0 HA PHE A 4 28.289 33.981 8.203 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.588 35.226 8.925 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.074 36.133 8.722 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.511 34.105 6.986 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.066 36.471 6.515 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.133 34.187 4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.690 36.547 4.066 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.723 35.407 3.076 1.00 0.00 H new ATOM 76 N VAL A 5 28.801 34.501 10.639 1.00 0.00 N ATOM 77 CA VAL A 5 29.164 34.556 12.089 1.00 0.00 C ATOM 78 C VAL A 5 29.247 36.019 12.523 1.00 0.00 C ATOM 79 O VAL A 5 30.071 36.772 12.042 1.00 0.00 O ATOM 80 CB VAL A 5 30.522 33.884 12.298 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.891 33.932 13.782 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.442 32.426 11.842 1.00 0.00 C ATOM 0 H VAL A 5 29.508 34.874 10.005 1.00 0.00 H new ATOM 0 HA VAL A 5 28.410 34.037 12.681 1.00 0.00 H new ATOM 0 HB VAL A 5 31.281 34.408 11.717 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.859 33.453 13.932 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.945 34.970 14.110 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.133 33.407 14.363 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.409 31.945 11.990 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.684 31.903 12.425 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.176 32.389 10.785 1.00 0.00 H new ATOM 92 N LYS A 6 28.401 36.426 13.431 1.00 0.00 N ATOM 93 CA LYS A 6 28.432 37.840 13.904 1.00 0.00 C ATOM 94 C LYS A 6 29.378 37.940 15.104 1.00 0.00 C ATOM 95 O LYS A 6 29.137 37.361 16.149 1.00 0.00 O ATOM 96 CB LYS A 6 27.021 38.261 14.321 1.00 0.00 C ATOM 97 CG LYS A 6 27.034 39.710 14.810 1.00 0.00 C ATOM 98 CD LYS A 6 25.603 40.157 15.110 1.00 0.00 C ATOM 99 CE LYS A 6 25.614 41.581 15.670 1.00 0.00 C ATOM 100 NZ LYS A 6 24.219 42.002 15.982 1.00 0.00 N ATOM 0 H LYS A 6 27.689 35.839 13.866 1.00 0.00 H new ATOM 0 HA LYS A 6 28.783 38.496 13.107 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.337 38.158 13.478 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.655 37.605 15.110 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.650 39.798 15.705 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.478 40.357 14.053 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.002 40.118 14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.142 39.478 15.827 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.228 41.625 16.569 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.058 42.264 14.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.225 42.970 16.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.646 41.975 15.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.811 41.355 16.687 1.00 0.00 H new ATOM 114 N THR A 7 30.463 38.658 14.959 1.00 0.00 N ATOM 115 CA THR A 7 31.434 38.789 16.087 1.00 0.00 C ATOM 116 C THR A 7 31.045 39.980 16.967 1.00 0.00 C ATOM 117 O THR A 7 30.373 40.894 16.530 1.00 0.00 O ATOM 118 CB THR A 7 32.841 39.007 15.525 1.00 0.00 C ATOM 119 OG1 THR A 7 33.095 38.050 14.505 1.00 0.00 O ATOM 120 CG2 THR A 7 33.870 38.845 16.645 1.00 0.00 C ATOM 0 H THR A 7 30.718 39.159 14.108 1.00 0.00 H new ATOM 0 HA THR A 7 31.417 37.878 16.686 1.00 0.00 H new ATOM 0 HB THR A 7 32.915 40.012 15.109 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.740 38.378 13.653 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.872 39.000 16.244 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.675 39.578 17.427 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.798 37.841 17.063 1.00 0.00 H new ATOM 128 N LEU A 8 31.458 39.972 18.204 1.00 0.00 N ATOM 129 CA LEU A 8 31.112 41.098 19.119 1.00 0.00 C ATOM 130 C LEU A 8 31.674 42.413 18.568 1.00 0.00 C ATOM 131 O LEU A 8 31.182 43.481 18.872 1.00 0.00 O ATOM 132 CB LEU A 8 31.716 40.831 20.504 1.00 0.00 C ATOM 133 CG LEU A 8 31.093 41.781 21.549 1.00 0.00 C ATOM 134 CD1 LEU A 8 29.781 41.193 22.086 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.067 41.971 22.719 1.00 0.00 C ATOM 0 H LEU A 8 32.022 39.232 18.623 1.00 0.00 H new ATOM 0 HA LEU A 8 30.027 41.175 19.196 1.00 0.00 H new ATOM 0 HB2 LEU A 8 31.539 39.795 20.792 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.796 40.973 20.471 1.00 0.00 H new ATOM 0 HG LEU A 8 30.892 42.740 21.072 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.352 41.873 22.822 1.00 0.00 H new ATOM 0 HD12 LEU A 8 29.079 41.059 21.263 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.979 40.229 22.555 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.625 42.642 23.455 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.270 41.006 23.183 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.999 42.400 22.351 1.00 0.00 H new ATOM 147 N THR A 9 32.703 42.348 17.767 1.00 0.00 N ATOM 148 CA THR A 9 33.292 43.600 17.211 1.00 0.00 C ATOM 149 C THR A 9 32.471 44.064 16.006 1.00 0.00 C ATOM 150 O THR A 9 32.703 45.122 15.455 1.00 0.00 O ATOM 151 CB THR A 9 34.736 43.338 16.777 1.00 0.00 C ATOM 152 OG1 THR A 9 34.744 42.420 15.694 1.00 0.00 O ATOM 153 CG2 THR A 9 35.525 42.755 17.950 1.00 0.00 C ATOM 0 H THR A 9 33.160 41.485 17.474 1.00 0.00 H new ATOM 0 HA THR A 9 33.279 44.376 17.977 1.00 0.00 H new ATOM 0 HB THR A 9 35.197 44.274 16.462 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.668 42.253 15.414 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.553 42.569 17.640 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.519 43.462 18.780 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.066 41.818 18.267 1.00 0.00 H new ATOM 161 N GLY A 10 31.505 43.285 15.598 1.00 0.00 N ATOM 162 CA GLY A 10 30.657 43.683 14.434 1.00 0.00 C ATOM 163 C GLY A 10 31.259 43.144 13.135 1.00 0.00 C ATOM 164 O GLY A 10 30.917 43.586 12.057 1.00 0.00 O ATOM 0 H GLY A 10 31.265 42.388 16.021 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.646 43.297 14.562 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.580 44.769 14.385 1.00 0.00 H new ATOM 168 N LYS A 11 32.149 42.188 13.218 1.00 0.00 N ATOM 169 CA LYS A 11 32.759 41.625 11.975 1.00 0.00 C ATOM 170 C LYS A 11 31.924 40.438 11.492 1.00 0.00 C ATOM 171 O LYS A 11 31.826 39.425 12.157 1.00 0.00 O ATOM 172 CB LYS A 11 34.182 41.150 12.275 1.00 0.00 C ATOM 173 CG LYS A 11 35.083 42.357 12.540 1.00 0.00 C ATOM 174 CD LYS A 11 36.506 41.875 12.834 1.00 0.00 C ATOM 175 CE LYS A 11 37.407 43.079 13.114 1.00 0.00 C ATOM 176 NZ LYS A 11 38.796 42.609 13.380 1.00 0.00 N ATOM 0 H LYS A 11 32.479 41.774 14.090 1.00 0.00 H new ATOM 0 HA LYS A 11 32.785 42.394 11.203 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.180 40.488 13.141 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.568 40.573 11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.084 43.021 11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.701 42.932 13.383 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.503 41.203 13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 11 36.892 41.309 11.986 1.00 0.00 H new ATOM 0 HE2 LYS A 11 37.399 43.759 12.262 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.030 43.637 13.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 39.409 43.427 13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 38.796 41.977 14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 39.153 42.095 12.550 1.00 0.00 H new ATOM 190 N THR A 12 31.316 40.559 10.340 1.00 0.00 N ATOM 191 CA THR A 12 30.483 39.440 9.806 1.00 0.00 C ATOM 192 C THR A 12 31.344 38.542 8.918 1.00 0.00 C ATOM 193 O THR A 12 31.866 38.972 7.907 1.00 0.00 O ATOM 194 CB THR A 12 29.329 40.015 8.980 1.00 0.00 C ATOM 195 OG1 THR A 12 28.574 40.911 9.783 1.00 0.00 O ATOM 196 CG2 THR A 12 28.426 38.877 8.497 1.00 0.00 C ATOM 0 H THR A 12 31.361 41.386 9.745 1.00 0.00 H new ATOM 0 HA THR A 12 30.084 38.856 10.635 1.00 0.00 H new ATOM 0 HB THR A 12 29.731 40.548 8.118 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.836 41.281 9.255 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.605 39.288 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.005 38.190 7.880 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.024 38.342 9.357 1.00 0.00 H new ATOM 204 N ILE A 13 31.488 37.292 9.286 1.00 0.00 N ATOM 205 CA ILE A 13 32.308 36.337 8.471 1.00 0.00 C ATOM 206 C ILE A 13 31.390 35.276 7.871 1.00 0.00 C ATOM 207 O ILE A 13 30.421 34.876 8.481 1.00 0.00 O ATOM 208 CB ILE A 13 33.344 35.659 9.367 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.027 36.720 10.233 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.385 34.953 8.493 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.220 36.102 10.964 1.00 0.00 C ATOM 0 H ILE A 13 31.069 36.888 10.124 1.00 0.00 H new ATOM 0 HA ILE A 13 32.817 36.880 7.675 1.00 0.00 H new ATOM 0 HB ILE A 13 32.857 34.925 10.009 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.360 37.551 9.611 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.318 37.126 10.954 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.126 34.468 9.129 1.00 0.00 H new ATOM 0 HG22 ILE A 13 33.892 34.203 7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.879 35.684 7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.703 36.861 11.579 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.875 35.286 11.599 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.934 35.718 10.235 1.00 0.00 H new ATOM 223 N THR A 14 31.690 34.818 6.681 1.00 0.00 N ATOM 224 CA THR A 14 30.837 33.774 6.020 1.00 0.00 C ATOM 225 C THR A 14 31.609 32.457 5.935 1.00 0.00 C ATOM 226 O THR A 14 32.771 32.427 5.584 1.00 0.00 O ATOM 227 CB THR A 14 30.456 34.235 4.608 1.00 0.00 C ATOM 228 OG1 THR A 14 29.859 33.153 3.907 1.00 0.00 O ATOM 229 CG2 THR A 14 31.702 34.706 3.853 1.00 0.00 C ATOM 0 H THR A 14 32.494 35.123 6.133 1.00 0.00 H new ATOM 0 HA THR A 14 29.932 33.626 6.609 1.00 0.00 H new ATOM 0 HB THR A 14 29.751 35.063 4.680 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.612 33.444 3.004 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.420 35.031 2.852 1.00 0.00 H new ATOM 0 HG22 THR A 14 32.159 35.538 4.389 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.415 33.885 3.780 1.00 0.00 H new ATOM 237 N LEU A 15 30.967 31.365 6.272 1.00 0.00 N ATOM 238 CA LEU A 15 31.646 30.030 6.231 1.00 0.00 C ATOM 239 C LEU A 15 30.803 29.046 5.419 1.00 0.00 C ATOM 240 O LEU A 15 29.588 29.078 5.444 1.00 0.00 O ATOM 241 CB LEU A 15 31.784 29.481 7.656 1.00 0.00 C ATOM 242 CG LEU A 15 32.623 30.435 8.522 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.340 30.159 10.000 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.121 30.218 8.254 1.00 0.00 C ATOM 0 H LEU A 15 29.994 31.340 6.576 1.00 0.00 H new ATOM 0 HA LEU A 15 32.628 30.149 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.797 29.351 8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.253 28.497 7.629 1.00 0.00 H new ATOM 0 HG LEU A 15 32.357 31.462 8.273 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.934 30.834 10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.281 30.318 10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.603 29.128 10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.704 30.900 8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.389 29.189 8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.334 30.411 7.203 1.00 0.00 H new ATOM 256 N GLU A 16 31.448 28.143 4.728 1.00 0.00 N ATOM 257 CA GLU A 16 30.710 27.111 3.937 1.00 0.00 C ATOM 258 C GLU A 16 30.777 25.802 4.721 1.00 0.00 C ATOM 259 O GLU A 16 31.848 25.328 5.047 1.00 0.00 O ATOM 260 CB GLU A 16 31.380 26.932 2.571 1.00 0.00 C ATOM 261 CG GLU A 16 31.338 28.255 1.801 1.00 0.00 C ATOM 262 CD GLU A 16 31.922 28.050 0.401 1.00 0.00 C ATOM 263 OE1 GLU A 16 31.337 27.295 -0.358 1.00 0.00 O ATOM 264 OE2 GLU A 16 32.942 28.654 0.112 1.00 0.00 O ATOM 0 H GLU A 16 32.464 28.075 4.677 1.00 0.00 H new ATOM 0 HA GLU A 16 29.675 27.412 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.413 26.608 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.870 26.153 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.311 28.614 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.905 29.017 2.335 1.00 0.00 H new ATOM 271 N VAL A 17 29.653 25.213 5.044 1.00 0.00 N ATOM 272 CA VAL A 17 29.681 23.939 5.828 1.00 0.00 C ATOM 273 C VAL A 17 28.527 23.031 5.395 1.00 0.00 C ATOM 274 O VAL A 17 27.708 23.392 4.573 1.00 0.00 O ATOM 275 CB VAL A 17 29.563 24.259 7.335 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.323 25.554 7.647 1.00 0.00 C ATOM 277 CG2 VAL A 17 28.087 24.428 7.743 1.00 0.00 C ATOM 0 H VAL A 17 28.723 25.555 4.801 1.00 0.00 H new ATOM 0 HA VAL A 17 30.623 23.423 5.641 1.00 0.00 H new ATOM 0 HB VAL A 17 29.992 23.430 7.898 1.00 0.00 H new ATOM 0 HG11 VAL A 17 30.239 25.778 8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.374 25.432 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.897 26.374 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 17 28.027 24.653 8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.644 25.245 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.544 23.506 7.536 1.00 0.00 H new ATOM 287 N GLU A 18 28.461 21.856 5.966 1.00 0.00 N ATOM 288 CA GLU A 18 27.369 20.894 5.635 1.00 0.00 C ATOM 289 C GLU A 18 26.428 20.807 6.855 1.00 0.00 C ATOM 290 O GLU A 18 26.793 21.230 7.934 1.00 0.00 O ATOM 291 CB GLU A 18 28.001 19.523 5.352 1.00 0.00 C ATOM 292 CG GLU A 18 29.068 19.667 4.267 1.00 0.00 C ATOM 293 CD GLU A 18 29.748 18.315 4.043 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.300 17.789 4.995 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.703 17.829 2.926 1.00 0.00 O ATOM 0 H GLU A 18 29.129 21.518 6.659 1.00 0.00 H new ATOM 0 HA GLU A 18 26.805 21.216 4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.445 19.121 6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.235 18.817 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.615 20.017 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.805 20.413 4.563 1.00 0.00 H new ATOM 302 N PRO A 19 25.229 20.281 6.718 1.00 0.00 N ATOM 303 CA PRO A 19 24.295 20.177 7.872 1.00 0.00 C ATOM 304 C PRO A 19 24.684 19.011 8.778 1.00 0.00 C ATOM 305 O PRO A 19 24.595 19.083 9.988 1.00 0.00 O ATOM 306 CB PRO A 19 22.909 19.961 7.245 1.00 0.00 C ATOM 307 CG PRO A 19 23.148 19.576 5.808 1.00 0.00 C ATOM 308 CD PRO A 19 24.644 19.722 5.495 1.00 0.00 C ATOM 0 HA PRO A 19 24.316 21.067 8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.362 19.178 7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.308 20.868 7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 19 22.825 18.549 5.634 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.561 20.211 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.092 18.760 5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.807 20.380 4.642 1.00 0.00 H new ATOM 316 N SER A 20 25.132 17.940 8.188 1.00 0.00 N ATOM 317 CA SER A 20 25.555 16.771 8.994 1.00 0.00 C ATOM 318 C SER A 20 26.959 17.051 9.503 1.00 0.00 C ATOM 319 O SER A 20 27.604 16.204 10.087 1.00 0.00 O ATOM 320 CB SER A 20 25.563 15.510 8.128 1.00 0.00 C ATOM 321 OG SER A 20 24.227 15.169 7.785 1.00 0.00 O ATOM 0 H SER A 20 25.223 17.827 7.178 1.00 0.00 H new ATOM 0 HA SER A 20 24.866 16.612 9.824 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.151 15.678 7.226 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.034 14.688 8.667 1.00 0.00 H new ATOM 0 HG SER A 20 24.228 14.362 7.229 1.00 0.00 H new ATOM 327 N ASP A 21 27.438 18.251 9.294 1.00 0.00 N ATOM 328 CA ASP A 21 28.815 18.582 9.786 1.00 0.00 C ATOM 329 C ASP A 21 28.811 18.559 11.321 1.00 0.00 C ATOM 330 O ASP A 21 27.804 18.830 11.948 1.00 0.00 O ATOM 331 CB ASP A 21 29.239 19.974 9.277 1.00 0.00 C ATOM 332 CG ASP A 21 30.763 20.039 9.140 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.430 19.218 9.746 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.236 20.911 8.428 1.00 0.00 O ATOM 0 H ASP A 21 26.948 19.005 8.813 1.00 0.00 H new ATOM 0 HA ASP A 21 29.527 17.847 9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.770 20.177 8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 21 28.894 20.744 9.968 1.00 0.00 H new ATOM 339 N THR A 22 29.927 18.230 11.934 1.00 0.00 N ATOM 340 CA THR A 22 29.987 18.177 13.427 1.00 0.00 C ATOM 341 C THR A 22 30.496 19.515 13.976 1.00 0.00 C ATOM 342 O THR A 22 31.062 20.310 13.260 1.00 0.00 O ATOM 343 CB THR A 22 30.952 17.057 13.844 1.00 0.00 C ATOM 344 OG1 THR A 22 30.824 15.967 12.942 1.00 0.00 O ATOM 345 CG2 THR A 22 30.625 16.586 15.260 1.00 0.00 C ATOM 0 H THR A 22 30.799 17.996 11.460 1.00 0.00 H new ATOM 0 HA THR A 22 28.991 17.983 13.826 1.00 0.00 H new ATOM 0 HB THR A 22 31.974 17.437 13.822 1.00 0.00 H new ATOM 0 HG1 THR A 22 31.440 15.251 13.204 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.314 15.792 15.548 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.724 17.421 15.953 1.00 0.00 H new ATOM 0 HG23 THR A 22 29.603 16.208 15.291 1.00 0.00 H new ATOM 353 N ILE A 23 30.316 19.760 15.244 1.00 0.00 N ATOM 354 CA ILE A 23 30.807 21.046 15.825 1.00 0.00 C ATOM 355 C ILE A 23 32.338 21.026 15.860 1.00 0.00 C ATOM 356 O ILE A 23 32.987 22.013 15.584 1.00 0.00 O ATOM 357 CB ILE A 23 30.279 21.231 17.255 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.761 21.008 17.312 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.588 22.651 17.728 1.00 0.00 C ATOM 360 CD1 ILE A 23 28.070 21.796 16.197 1.00 0.00 C ATOM 0 H ILE A 23 29.854 19.132 15.901 1.00 0.00 H new ATOM 0 HA ILE A 23 30.449 21.870 15.207 1.00 0.00 H new ATOM 0 HB ILE A 23 30.767 20.500 17.899 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.538 19.946 17.209 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.376 21.322 18.282 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.214 22.786 18.743 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.666 22.813 17.714 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.104 23.369 17.065 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.994 21.630 16.247 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.279 22.859 16.319 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.444 21.461 15.229 1.00 0.00 H new ATOM 372 N GLU A 24 32.919 19.909 16.203 1.00 0.00 N ATOM 373 CA GLU A 24 34.407 19.825 16.263 1.00 0.00 C ATOM 374 C GLU A 24 34.995 20.057 14.872 1.00 0.00 C ATOM 375 O GLU A 24 35.961 20.774 14.704 1.00 0.00 O ATOM 376 CB GLU A 24 34.816 18.432 16.748 1.00 0.00 C ATOM 377 CG GLU A 24 36.285 18.445 17.182 1.00 0.00 C ATOM 378 CD GLU A 24 36.412 19.109 18.556 1.00 0.00 C ATOM 379 OE1 GLU A 24 36.520 20.324 18.597 1.00 0.00 O ATOM 380 OE2 GLU A 24 36.400 18.391 19.542 1.00 0.00 O ATOM 0 H GLU A 24 32.427 19.049 16.445 1.00 0.00 H new ATOM 0 HA GLU A 24 34.781 20.585 16.949 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.184 18.127 17.582 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.669 17.702 15.952 1.00 0.00 H new ATOM 0 HG2 GLU A 24 36.671 17.426 17.223 1.00 0.00 H new ATOM 0 HG3 GLU A 24 36.886 18.985 16.450 1.00 0.00 H new ATOM 387 N ASN A 25 34.415 19.455 13.876 1.00 0.00 N ATOM 388 CA ASN A 25 34.934 19.629 12.488 1.00 0.00 C ATOM 389 C ASN A 25 34.697 21.068 12.026 1.00 0.00 C ATOM 390 O ASN A 25 35.530 21.668 11.375 1.00 0.00 O ATOM 391 CB ASN A 25 34.209 18.663 11.545 1.00 0.00 C ATOM 392 CG ASN A 25 34.951 18.593 10.209 1.00 0.00 C ATOM 393 OD1 ASN A 25 35.534 19.565 9.772 1.00 0.00 O ATOM 394 ND2 ASN A 25 34.954 17.473 9.538 1.00 0.00 N ATOM 0 H ASN A 25 33.600 18.847 13.960 1.00 0.00 H new ATOM 0 HA ASN A 25 36.003 19.417 12.474 1.00 0.00 H new ATOM 0 HB2 ASN A 25 34.156 17.672 11.995 1.00 0.00 H new ATOM 0 HB3 ASN A 25 33.183 18.996 11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.446 17.414 8.646 1.00 0.00 H new ATOM 0 HD22 ASN A 25 34.464 16.657 9.905 1.00 0.00 H new ATOM 401 N VAL A 26 33.563 21.625 12.352 1.00 0.00 N ATOM 402 CA VAL A 26 33.265 23.022 11.927 1.00 0.00 C ATOM 403 C VAL A 26 34.133 24.005 12.717 1.00 0.00 C ATOM 404 O VAL A 26 34.515 25.043 12.215 1.00 0.00 O ATOM 405 CB VAL A 26 31.782 23.315 12.163 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.483 24.777 11.825 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.935 22.403 11.265 1.00 0.00 C ATOM 0 H VAL A 26 32.828 21.172 12.896 1.00 0.00 H new ATOM 0 HA VAL A 26 33.490 23.137 10.867 1.00 0.00 H new ATOM 0 HB VAL A 26 31.540 23.130 13.210 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.426 24.981 11.995 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.084 25.428 12.460 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.726 24.966 10.779 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.878 22.609 11.431 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.182 22.591 10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.143 21.360 11.506 1.00 0.00 H new ATOM 417 N LYS A 27 34.467 23.686 13.943 1.00 0.00 N ATOM 418 CA LYS A 27 35.326 24.602 14.741 1.00 0.00 C ATOM 419 C LYS A 27 36.716 24.593 14.117 1.00 0.00 C ATOM 420 O LYS A 27 37.426 25.580 14.114 1.00 0.00 O ATOM 421 CB LYS A 27 35.407 24.097 16.189 1.00 0.00 C ATOM 422 CG LYS A 27 34.174 24.550 16.977 1.00 0.00 C ATOM 423 CD LYS A 27 34.267 24.023 18.414 1.00 0.00 C ATOM 424 CE LYS A 27 33.280 24.780 19.305 1.00 0.00 C ATOM 425 NZ LYS A 27 33.742 26.186 19.476 1.00 0.00 N ATOM 0 H LYS A 27 34.181 22.832 14.421 1.00 0.00 H new ATOM 0 HA LYS A 27 34.914 25.611 14.744 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.475 23.009 16.199 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.311 24.477 16.664 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.110 25.638 16.980 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.267 24.179 16.500 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.047 22.956 18.435 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.282 24.146 18.792 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.286 24.765 18.859 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.202 24.291 20.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.218 26.631 20.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.759 26.193 19.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.571 26.717 18.598 1.00 0.00 H new ATOM 439 N ALA A 28 37.091 23.476 13.570 1.00 0.00 N ATOM 440 CA ALA A 28 38.414 23.362 12.915 1.00 0.00 C ATOM 441 C ALA A 28 38.440 24.303 11.708 1.00 0.00 C ATOM 442 O ALA A 28 39.378 25.047 11.499 1.00 0.00 O ATOM 443 CB ALA A 28 38.598 21.914 12.464 1.00 0.00 C ATOM 0 H ALA A 28 36.528 22.626 13.550 1.00 0.00 H new ATOM 0 HA ALA A 28 39.219 23.635 13.598 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.567 21.805 11.978 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.550 21.254 13.330 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.808 21.648 11.762 1.00 0.00 H new ATOM 449 N LYS A 29 37.405 24.263 10.914 1.00 0.00 N ATOM 450 CA LYS A 29 37.342 25.144 9.717 1.00 0.00 C ATOM 451 C LYS A 29 37.513 26.600 10.157 1.00 0.00 C ATOM 452 O LYS A 29 38.244 27.361 9.554 1.00 0.00 O ATOM 453 CB LYS A 29 35.981 24.982 9.039 1.00 0.00 C ATOM 454 CG LYS A 29 35.834 23.553 8.513 1.00 0.00 C ATOM 455 CD LYS A 29 34.452 23.389 7.878 1.00 0.00 C ATOM 456 CE LYS A 29 34.258 21.935 7.442 1.00 0.00 C ATOM 457 NZ LYS A 29 35.263 21.593 6.396 1.00 0.00 N ATOM 0 H LYS A 29 36.597 23.654 11.045 1.00 0.00 H new ATOM 0 HA LYS A 29 38.134 24.872 9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.182 25.203 9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.886 25.693 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.612 23.341 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.960 22.839 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.677 23.672 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 29 34.354 24.053 7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.367 21.269 8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 29 33.250 21.792 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.974 20.721 5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 35.325 22.370 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.192 21.449 6.841 1.00 0.00 H new ATOM 471 N ILE A 30 36.838 26.991 11.203 1.00 0.00 N ATOM 472 CA ILE A 30 36.952 28.396 11.685 1.00 0.00 C ATOM 473 C ILE A 30 38.393 28.679 12.111 1.00 0.00 C ATOM 474 O ILE A 30 38.937 29.724 11.823 1.00 0.00 O ATOM 475 CB ILE A 30 36.018 28.600 12.879 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.569 28.404 12.423 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.190 30.023 13.428 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.639 28.395 13.639 1.00 0.00 C ATOM 0 H ILE A 30 36.211 26.397 11.745 1.00 0.00 H new ATOM 0 HA ILE A 30 36.673 29.078 10.882 1.00 0.00 H new ATOM 0 HB ILE A 30 36.260 27.879 13.660 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.282 29.204 11.740 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.474 27.467 11.874 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.524 30.168 14.279 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.222 30.168 13.746 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.946 30.745 12.649 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.610 28.255 13.309 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.920 27.580 14.306 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.724 29.343 14.169 1.00 0.00 H new ATOM 490 N GLN A 31 39.010 27.757 12.798 1.00 0.00 N ATOM 491 CA GLN A 31 40.414 27.971 13.250 1.00 0.00 C ATOM 492 C GLN A 31 41.344 28.053 12.035 1.00 0.00 C ATOM 493 O GLN A 31 42.220 28.888 11.966 1.00 0.00 O ATOM 494 CB GLN A 31 40.837 26.793 14.132 1.00 0.00 C ATOM 495 CG GLN A 31 42.187 27.090 14.789 1.00 0.00 C ATOM 496 CD GLN A 31 42.734 25.812 15.430 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.049 24.705 15.336 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 43.795 25.820 16.022 1.00 0.00 N flip ATOM 0 H GLN A 31 38.601 26.862 13.067 1.00 0.00 H new ATOM 0 HA GLN A 31 40.478 28.902 13.813 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.083 26.612 14.898 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.907 25.886 13.532 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.890 27.467 14.046 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.073 27.868 15.544 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.331 26.685 16.096 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.150 24.962 16.445 1.00 0.00 H new ATOM 507 N ASP A 32 41.169 27.178 11.087 1.00 0.00 N ATOM 508 CA ASP A 32 42.056 27.182 9.888 1.00 0.00 C ATOM 509 C ASP A 32 41.949 28.508 9.125 1.00 0.00 C ATOM 510 O ASP A 32 42.910 28.962 8.535 1.00 0.00 O ATOM 511 CB ASP A 32 41.651 26.034 8.962 1.00 0.00 C ATOM 512 CG ASP A 32 42.729 25.836 7.894 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.283 26.827 7.448 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.983 24.695 7.542 1.00 0.00 O ATOM 0 H ASP A 32 40.448 26.457 11.089 1.00 0.00 H new ATOM 0 HA ASP A 32 43.087 27.058 10.220 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.521 25.117 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.693 26.253 8.491 1.00 0.00 H new ATOM 519 N LYS A 33 40.796 29.127 9.105 1.00 0.00 N ATOM 520 CA LYS A 33 40.648 30.412 8.345 1.00 0.00 C ATOM 521 C LYS A 33 40.874 31.624 9.257 1.00 0.00 C ATOM 522 O LYS A 33 41.496 32.590 8.864 1.00 0.00 O ATOM 523 CB LYS A 33 39.241 30.485 7.744 1.00 0.00 C ATOM 524 CG LYS A 33 39.022 29.309 6.777 1.00 0.00 C ATOM 525 CD LYS A 33 39.744 29.564 5.444 1.00 0.00 C ATOM 526 CE LYS A 33 39.225 28.586 4.387 1.00 0.00 C ATOM 527 NZ LYS A 33 37.818 28.932 4.039 1.00 0.00 N ATOM 0 H LYS A 33 39.953 28.803 9.579 1.00 0.00 H new ATOM 0 HA LYS A 33 41.398 30.433 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.495 30.457 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 33 39.110 31.430 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.392 28.387 7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.956 29.171 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.577 30.591 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 33 40.820 29.441 5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.852 28.629 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 33 39.277 27.565 4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.608 28.604 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.171 28.470 4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 37.691 29.963 4.090 1.00 0.00 H new ATOM 541 N GLU A 34 40.369 31.601 10.464 1.00 0.00 N ATOM 542 CA GLU A 34 40.561 32.777 11.372 1.00 0.00 C ATOM 543 C GLU A 34 41.854 32.609 12.177 1.00 0.00 C ATOM 544 O GLU A 34 42.473 33.574 12.580 1.00 0.00 O ATOM 545 CB GLU A 34 39.364 32.886 12.321 1.00 0.00 C ATOM 546 CG GLU A 34 38.071 32.969 11.503 1.00 0.00 C ATOM 547 CD GLU A 34 38.092 34.228 10.632 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.648 35.221 11.074 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.555 34.178 9.538 1.00 0.00 O ATOM 0 H GLU A 34 39.836 30.827 10.860 1.00 0.00 H new ATOM 0 HA GLU A 34 40.634 33.687 10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.332 32.022 12.985 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.465 33.769 12.952 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.968 32.083 10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.208 32.990 12.169 1.00 0.00 H new ATOM 556 N GLY A 35 42.283 31.394 12.388 1.00 0.00 N ATOM 557 CA GLY A 35 43.552 31.167 13.140 1.00 0.00 C ATOM 558 C GLY A 35 43.327 31.277 14.653 1.00 0.00 C ATOM 559 O GLY A 35 44.266 31.255 15.424 1.00 0.00 O ATOM 0 H GLY A 35 41.810 30.548 12.072 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.949 30.181 12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.299 31.896 12.827 1.00 0.00 H new ATOM 563 N ILE A 36 42.100 31.397 15.094 1.00 0.00 N ATOM 564 CA ILE A 36 41.841 31.507 16.566 1.00 0.00 C ATOM 565 C ILE A 36 41.507 30.110 17.135 1.00 0.00 C ATOM 566 O ILE A 36 40.514 29.524 16.755 1.00 0.00 O ATOM 567 CB ILE A 36 40.646 32.439 16.794 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.788 33.685 15.912 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.598 32.860 18.265 1.00 0.00 C ATOM 570 CD1 ILE A 36 42.176 34.308 16.094 1.00 0.00 C ATOM 0 H ILE A 36 41.269 31.424 14.503 1.00 0.00 H new ATOM 0 HA ILE A 36 42.725 31.904 17.065 1.00 0.00 H new ATOM 0 HB ILE A 36 39.726 31.915 16.535 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.636 33.418 14.866 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.018 34.412 16.171 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.748 33.523 18.426 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.493 31.976 18.893 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.519 33.382 18.524 1.00 0.00 H new ATOM 0 HD11 ILE A 36 42.264 35.192 15.462 1.00 0.00 H new ATOM 0 HD12 ILE A 36 42.313 34.593 17.137 1.00 0.00 H new ATOM 0 HD13 ILE A 36 42.940 33.583 15.812 1.00 0.00 H new ATOM 582 N PRO A 37 42.308 29.565 18.036 1.00 0.00 N ATOM 583 CA PRO A 37 42.029 28.216 18.622 1.00 0.00 C ATOM 584 C PRO A 37 40.571 28.079 19.113 1.00 0.00 C ATOM 585 O PRO A 37 39.950 29.046 19.513 1.00 0.00 O ATOM 586 CB PRO A 37 43.003 28.123 19.804 1.00 0.00 C ATOM 587 CG PRO A 37 44.149 29.005 19.429 1.00 0.00 C ATOM 588 CD PRO A 37 43.557 30.140 18.585 1.00 0.00 C ATOM 0 HA PRO A 37 42.159 27.422 17.886 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.534 28.457 20.729 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.331 27.096 19.965 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.645 29.398 20.317 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.899 28.450 18.865 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.357 31.024 19.190 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.239 30.444 17.791 1.00 0.00 H new ATOM 596 N PRO A 38 40.025 26.886 19.081 1.00 0.00 N ATOM 597 CA PRO A 38 38.619 26.630 19.519 1.00 0.00 C ATOM 598 C PRO A 38 38.440 26.768 21.033 1.00 0.00 C ATOM 599 O PRO A 38 37.342 26.939 21.523 1.00 0.00 O ATOM 600 CB PRO A 38 38.368 25.191 19.065 1.00 0.00 C ATOM 601 CG PRO A 38 39.710 24.568 19.133 1.00 0.00 C ATOM 602 CD PRO A 38 40.675 25.640 18.643 1.00 0.00 C ATOM 0 HA PRO A 38 37.919 27.351 19.096 1.00 0.00 H new ATOM 0 HB2 PRO A 38 37.656 24.683 19.716 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.959 25.154 18.055 1.00 0.00 H new ATOM 0 HG2 PRO A 38 39.949 24.259 20.150 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.762 23.676 18.508 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.666 25.524 19.082 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.800 25.608 17.561 1.00 0.00 H new ATOM 610 N ASP A 39 39.506 26.692 21.777 1.00 0.00 N ATOM 611 CA ASP A 39 39.387 26.815 23.253 1.00 0.00 C ATOM 612 C ASP A 39 39.213 28.284 23.638 1.00 0.00 C ATOM 613 O ASP A 39 39.016 28.606 24.793 1.00 0.00 O ATOM 614 CB ASP A 39 40.652 26.264 23.913 1.00 0.00 C ATOM 615 CG ASP A 39 41.884 26.815 23.192 1.00 0.00 C ATOM 616 OD1 ASP A 39 42.289 26.213 22.210 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.399 27.829 23.631 1.00 0.00 O ATOM 0 H ASP A 39 40.453 26.550 21.427 1.00 0.00 H new ATOM 0 HA ASP A 39 38.520 26.249 23.592 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.678 26.545 24.966 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.651 25.175 23.873 1.00 0.00 H new ATOM 622 N GLN A 40 39.284 29.184 22.684 1.00 0.00 N ATOM 623 CA GLN A 40 39.121 30.638 23.001 1.00 0.00 C ATOM 624 C GLN A 40 37.772 31.135 22.482 1.00 0.00 C ATOM 625 O GLN A 40 37.342 32.224 22.806 1.00 0.00 O ATOM 626 CB GLN A 40 40.233 31.429 22.315 1.00 0.00 C ATOM 627 CG GLN A 40 41.587 30.957 22.837 1.00 0.00 C ATOM 628 CD GLN A 40 42.683 31.874 22.299 1.00 0.00 C ATOM 629 OE1 GLN A 40 43.632 31.418 21.692 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.590 33.161 22.495 1.00 0.00 N ATOM 0 H GLN A 40 39.448 28.973 21.700 1.00 0.00 H new ATOM 0 HA GLN A 40 39.170 30.776 24.081 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.179 31.291 21.235 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.108 32.495 22.507 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.592 30.965 23.927 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.772 29.929 22.525 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.793 33.543 23.005 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.314 33.785 22.139 1.00 0.00 H new ATOM 639 N GLN A 41 37.108 30.355 21.659 1.00 0.00 N ATOM 640 CA GLN A 41 35.791 30.791 21.091 1.00 0.00 C ATOM 641 C GLN A 41 34.665 29.912 21.619 1.00 0.00 C ATOM 642 O GLN A 41 34.802 28.713 21.754 1.00 0.00 O ATOM 643 CB GLN A 41 35.830 30.667 19.571 1.00 0.00 C ATOM 644 CG GLN A 41 37.017 31.455 19.023 1.00 0.00 C ATOM 645 CD GLN A 41 37.121 31.219 17.517 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.564 31.963 16.734 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.809 30.201 17.075 1.00 0.00 N ATOM 0 H GLN A 41 37.423 29.433 21.356 1.00 0.00 H new ATOM 0 HA GLN A 41 35.612 31.825 21.386 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.913 29.619 19.284 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.901 31.043 19.141 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.890 32.518 19.229 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.937 31.142 19.517 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.276 29.577 17.733 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.879 30.030 16.072 1.00 0.00 H new ATOM 656 N ARG A 42 33.545 30.516 21.904 1.00 0.00 N ATOM 657 CA ARG A 42 32.364 29.766 22.411 1.00 0.00 C ATOM 658 C ARG A 42 31.177 30.136 21.514 1.00 0.00 C ATOM 659 O ARG A 42 30.700 31.253 21.507 1.00 0.00 O ATOM 660 CB ARG A 42 32.143 30.138 23.889 1.00 0.00 C ATOM 661 CG ARG A 42 33.354 29.608 24.703 1.00 0.00 C ATOM 662 CD ARG A 42 33.076 29.611 26.219 1.00 0.00 C ATOM 663 NE ARG A 42 33.409 30.959 26.779 1.00 0.00 N ATOM 664 CZ ARG A 42 33.863 31.086 28.017 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.123 32.275 28.524 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.049 30.027 28.749 1.00 0.00 N ATOM 0 H ARG A 42 33.397 31.520 21.804 1.00 0.00 H new ATOM 0 HA ARG A 42 32.500 28.685 22.374 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.052 31.218 24.001 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.215 29.700 24.258 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.592 28.595 24.380 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.229 30.223 24.494 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.029 29.374 26.409 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.672 28.842 26.711 1.00 0.00 H new ATOM 0 HE ARG A 42 33.285 31.790 26.200 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.975 33.113 27.961 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.472 32.357 29.479 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.845 29.102 28.369 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.398 30.121 29.703 1.00 0.00 H new ATOM 680 N LEU A 43 30.752 29.196 20.703 1.00 0.00 N ATOM 681 CA LEU A 43 29.651 29.457 19.724 1.00 0.00 C ATOM 682 C LEU A 43 28.273 29.252 20.355 1.00 0.00 C ATOM 683 O LEU A 43 27.961 28.201 20.885 1.00 0.00 O ATOM 684 CB LEU A 43 29.808 28.500 18.539 1.00 0.00 C ATOM 685 CG LEU A 43 31.287 28.404 18.142 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.420 27.522 16.899 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.828 29.804 17.837 1.00 0.00 C ATOM 0 H LEU A 43 31.127 28.248 20.678 1.00 0.00 H new ATOM 0 HA LEU A 43 29.721 30.495 19.398 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.428 27.513 18.804 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.217 28.853 17.694 1.00 0.00 H new ATOM 0 HG LEU A 43 31.858 27.968 18.962 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.470 27.451 16.614 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.035 26.526 17.117 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.850 27.960 16.080 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.879 29.735 17.555 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.260 30.243 17.016 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.731 30.433 18.722 1.00 0.00 H new ATOM 699 N ILE A 44 27.441 30.262 20.270 1.00 0.00 N ATOM 700 CA ILE A 44 26.057 30.180 20.830 1.00 0.00 C ATOM 701 C ILE A 44 25.042 30.302 19.689 1.00 0.00 C ATOM 702 O ILE A 44 25.152 31.159 18.828 1.00 0.00 O ATOM 703 CB ILE A 44 25.835 31.332 21.815 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.953 31.344 22.867 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.477 31.169 22.502 1.00 0.00 C ATOM 706 CD1 ILE A 44 27.073 29.969 23.539 1.00 0.00 C ATOM 0 H ILE A 44 27.667 31.153 19.829 1.00 0.00 H new ATOM 0 HA ILE A 44 25.930 29.226 21.342 1.00 0.00 H new ATOM 0 HB ILE A 44 25.851 32.276 21.270 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.900 31.610 22.397 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.745 32.106 23.618 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.322 31.990 23.202 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.686 31.178 21.752 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.454 30.223 23.042 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.870 29.995 24.282 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.131 29.719 24.027 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.303 29.215 22.786 1.00 0.00 H new ATOM 718 N PHE A 45 24.046 29.454 19.685 1.00 0.00 N ATOM 719 CA PHE A 45 23.005 29.511 18.616 1.00 0.00 C ATOM 720 C PHE A 45 21.666 29.049 19.192 1.00 0.00 C ATOM 721 O PHE A 45 21.606 28.149 20.003 1.00 0.00 O ATOM 722 CB PHE A 45 23.400 28.602 17.448 1.00 0.00 C ATOM 723 CG PHE A 45 22.300 28.614 16.412 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.317 29.568 15.388 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.257 27.683 16.484 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.297 29.585 14.428 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.237 27.700 15.524 1.00 0.00 C ATOM 728 CZ PHE A 45 20.255 28.653 14.499 1.00 0.00 C ATOM 0 H PHE A 45 23.909 28.721 20.380 1.00 0.00 H new ATOM 0 HA PHE A 45 22.918 30.535 18.254 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.336 28.945 17.006 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.569 27.586 17.804 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.117 30.292 15.338 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.239 26.952 17.279 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.315 30.317 13.634 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.436 26.977 15.575 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.465 28.669 13.763 1.00 0.00 H new ATOM 738 N ALA A 46 20.594 29.670 18.781 1.00 0.00 N ATOM 739 CA ALA A 46 19.251 29.286 19.301 1.00 0.00 C ATOM 740 C ALA A 46 19.262 29.348 20.830 1.00 0.00 C ATOM 741 O ALA A 46 18.320 28.945 21.483 1.00 0.00 O ATOM 742 CB ALA A 46 18.901 27.865 18.847 1.00 0.00 C ATOM 0 H ALA A 46 20.591 30.432 18.103 1.00 0.00 H new ATOM 0 HA ALA A 46 18.504 29.978 18.912 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.918 27.592 19.231 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.889 27.824 17.758 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.646 27.167 19.229 1.00 0.00 H new ATOM 748 N GLY A 47 20.318 29.862 21.409 1.00 0.00 N ATOM 749 CA GLY A 47 20.386 29.963 22.898 1.00 0.00 C ATOM 750 C GLY A 47 21.093 28.738 23.484 1.00 0.00 C ATOM 751 O GLY A 47 20.968 28.458 24.659 1.00 0.00 O ATOM 0 H GLY A 47 21.136 30.216 20.914 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.919 30.870 23.183 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.380 30.042 23.310 1.00 0.00 H new ATOM 755 N LYS A 48 21.847 28.011 22.687 1.00 0.00 N ATOM 756 CA LYS A 48 22.575 26.810 23.217 1.00 0.00 C ATOM 757 C LYS A 48 24.035 26.880 22.820 1.00 0.00 C ATOM 758 O LYS A 48 24.401 27.432 21.801 1.00 0.00 O ATOM 759 CB LYS A 48 21.994 25.498 22.646 1.00 0.00 C ATOM 760 CG LYS A 48 20.660 25.158 23.332 1.00 0.00 C ATOM 761 CD LYS A 48 19.499 25.842 22.597 1.00 0.00 C ATOM 762 CE LYS A 48 18.268 25.893 23.503 1.00 0.00 C ATOM 763 NZ LYS A 48 17.091 26.352 22.712 1.00 0.00 N ATOM 0 H LYS A 48 21.989 28.198 21.694 1.00 0.00 H new ATOM 0 HA LYS A 48 22.462 26.814 24.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.842 25.598 21.571 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.704 24.684 22.794 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.511 24.078 23.339 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.684 25.483 24.372 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.787 26.851 22.303 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.266 25.298 21.682 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.074 24.908 23.927 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.445 26.570 24.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.287 26.518 23.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.328 27.236 22.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.835 25.623 22.015 1.00 0.00 H new ATOM 777 N GLN A 49 24.868 26.284 23.618 1.00 0.00 N ATOM 778 CA GLN A 49 26.318 26.256 23.306 1.00 0.00 C ATOM 779 C GLN A 49 26.603 24.989 22.527 1.00 0.00 C ATOM 780 O GLN A 49 26.411 23.888 23.003 1.00 0.00 O ATOM 781 CB GLN A 49 27.139 26.275 24.586 1.00 0.00 C ATOM 782 CG GLN A 49 28.630 26.366 24.247 1.00 0.00 C ATOM 783 CD GLN A 49 29.458 26.174 25.520 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.090 25.408 26.387 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.569 26.842 25.669 1.00 0.00 N ATOM 0 H GLN A 49 24.604 25.810 24.482 1.00 0.00 H new ATOM 0 HA GLN A 49 26.590 27.134 22.720 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.845 27.123 25.204 1.00 0.00 H new ATOM 0 HB3 GLN A 49 26.944 25.374 25.167 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.893 25.606 23.512 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.853 27.334 23.798 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.879 27.486 24.941 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.128 26.720 26.514 1.00 0.00 H new ATOM 794 N LEU A 50 27.047 25.140 21.328 1.00 0.00 N ATOM 795 CA LEU A 50 27.336 23.950 20.488 1.00 0.00 C ATOM 796 C LEU A 50 28.294 23.024 21.239 1.00 0.00 C ATOM 797 O LEU A 50 29.426 23.375 21.505 1.00 0.00 O ATOM 798 CB LEU A 50 27.968 24.407 19.168 1.00 0.00 C ATOM 799 CG LEU A 50 27.156 25.567 18.580 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.681 25.900 17.181 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.676 25.171 18.488 1.00 0.00 C ATOM 0 H LEU A 50 27.226 26.040 20.883 1.00 0.00 H new ATOM 0 HA LEU A 50 26.414 23.410 20.274 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.998 24.720 19.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.999 23.577 18.462 1.00 0.00 H new ATOM 0 HG LEU A 50 27.256 26.439 19.226 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.104 26.725 16.763 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.731 26.187 17.245 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.583 25.025 16.538 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.103 25.999 18.070 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.573 24.297 17.845 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.300 24.936 19.484 1.00 0.00 H new ATOM 813 N GLU A 51 27.856 21.836 21.581 1.00 0.00 N ATOM 814 CA GLU A 51 28.758 20.893 22.309 1.00 0.00 C ATOM 815 C GLU A 51 29.544 20.072 21.291 1.00 0.00 C ATOM 816 O GLU A 51 29.061 19.751 20.218 1.00 0.00 O ATOM 817 CB GLU A 51 27.946 19.943 23.193 1.00 0.00 C ATOM 818 CG GLU A 51 27.127 20.739 24.209 1.00 0.00 C ATOM 819 CD GLU A 51 26.292 19.774 25.055 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.429 18.577 24.864 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.529 20.249 25.880 1.00 0.00 O ATOM 0 H GLU A 51 26.919 21.482 21.388 1.00 0.00 H new ATOM 0 HA GLU A 51 29.435 21.470 22.940 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.283 19.337 22.575 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.615 19.256 23.712 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.789 21.323 24.849 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.476 21.446 23.695 1.00 0.00 H new ATOM 828 N ASP A 52 30.752 19.731 21.617 1.00 0.00 N ATOM 829 CA ASP A 52 31.571 18.937 20.674 1.00 0.00 C ATOM 830 C ASP A 52 30.895 17.594 20.401 1.00 0.00 C ATOM 831 O ASP A 52 30.443 16.917 21.303 1.00 0.00 O ATOM 832 CB ASP A 52 32.957 18.703 21.288 1.00 0.00 C ATOM 833 CG ASP A 52 32.808 17.940 22.604 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.086 18.418 23.462 1.00 0.00 O ATOM 835 OD2 ASP A 52 33.418 16.891 22.731 1.00 0.00 O ATOM 0 H ASP A 52 31.208 19.969 22.498 1.00 0.00 H new ATOM 0 HA ASP A 52 31.672 19.479 19.734 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.582 18.138 20.597 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.455 19.657 21.462 1.00 0.00 H new ATOM 840 N GLY A 53 30.850 17.186 19.156 1.00 0.00 N ATOM 841 CA GLY A 53 30.243 15.865 18.809 1.00 0.00 C ATOM 842 C GLY A 53 28.830 15.994 18.237 1.00 0.00 C ATOM 843 O GLY A 53 28.321 15.044 17.678 1.00 0.00 O ATOM 0 H GLY A 53 31.210 17.715 18.362 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.879 15.357 18.084 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.213 15.238 19.700 1.00 0.00 H new ATOM 847 N ARG A 54 28.168 17.119 18.361 1.00 0.00 N ATOM 848 CA ARG A 54 26.776 17.213 17.808 1.00 0.00 C ATOM 849 C ARG A 54 26.803 17.734 16.377 1.00 0.00 C ATOM 850 O ARG A 54 27.781 18.281 15.918 1.00 0.00 O ATOM 851 CB ARG A 54 25.938 18.089 18.758 1.00 0.00 C ATOM 852 CG ARG A 54 26.070 17.431 20.126 1.00 0.00 C ATOM 853 CD ARG A 54 25.104 17.949 21.173 1.00 0.00 C ATOM 854 NE ARG A 54 25.272 16.947 22.267 1.00 0.00 N ATOM 855 CZ ARG A 54 24.258 16.253 22.682 1.00 0.00 C ATOM 856 NH1 ARG A 54 24.430 15.001 23.004 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.136 16.838 22.937 1.00 0.00 N ATOM 0 H ARG A 54 28.521 17.963 18.812 1.00 0.00 H new ATOM 0 HA ARG A 54 26.311 16.229 17.755 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.307 19.114 18.777 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.896 18.131 18.440 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.921 16.357 20.014 1.00 0.00 H new ATOM 0 HG3 ARG A 54 27.088 17.576 20.487 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.358 18.957 21.500 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.079 17.982 20.803 1.00 0.00 H new ATOM 0 HE ARG A 54 26.189 16.807 22.690 1.00 0.00 H new ATOM 0 HH11 ARG A 54 25.355 14.577 22.928 1.00 0.00 H new ATOM 0 HH12 ARG A 54 23.640 14.445 23.332 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.047 17.846 22.812 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.339 16.292 23.263 1.00 0.00 H new ATOM 871 N THR A 55 25.741 17.507 15.651 1.00 0.00 N ATOM 872 CA THR A 55 25.684 17.931 14.225 1.00 0.00 C ATOM 873 C THR A 55 24.785 19.153 14.097 1.00 0.00 C ATOM 874 O THR A 55 23.870 19.354 14.872 1.00 0.00 O ATOM 875 CB THR A 55 25.123 16.772 13.399 1.00 0.00 C ATOM 876 OG1 THR A 55 23.907 16.335 13.988 1.00 0.00 O ATOM 877 CG2 THR A 55 26.131 15.620 13.403 1.00 0.00 C ATOM 0 H THR A 55 24.901 17.040 15.992 1.00 0.00 H new ATOM 0 HA THR A 55 26.679 18.191 13.864 1.00 0.00 H new ATOM 0 HB THR A 55 24.942 17.096 12.374 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.538 15.593 13.465 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.737 14.790 12.816 1.00 0.00 H new ATOM 0 HG22 THR A 55 27.072 15.958 12.968 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.303 15.290 14.428 1.00 0.00 H new ATOM 885 N LEU A 56 25.047 19.979 13.132 1.00 0.00 N ATOM 886 CA LEU A 56 24.219 21.194 12.964 1.00 0.00 C ATOM 887 C LEU A 56 22.745 20.785 12.878 1.00 0.00 C ATOM 888 O LEU A 56 21.878 21.445 13.417 1.00 0.00 O ATOM 889 CB LEU A 56 24.644 21.930 11.682 1.00 0.00 C ATOM 890 CG LEU A 56 25.818 22.870 11.978 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.000 22.069 12.527 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.238 23.576 10.689 1.00 0.00 C ATOM 0 H LEU A 56 25.799 19.865 12.452 1.00 0.00 H new ATOM 0 HA LEU A 56 24.357 21.862 13.814 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.930 21.208 10.917 1.00 0.00 H new ATOM 0 HB3 LEU A 56 23.804 22.499 11.285 1.00 0.00 H new ATOM 0 HG LEU A 56 25.510 23.608 12.719 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.831 22.743 12.735 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.702 21.565 13.447 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.310 21.327 11.791 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.073 24.245 10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.542 22.834 9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.399 24.152 10.300 1.00 0.00 H new ATOM 904 N SER A 57 22.456 19.702 12.211 1.00 0.00 N ATOM 905 CA SER A 57 21.039 19.256 12.100 1.00 0.00 C ATOM 906 C SER A 57 20.476 18.986 13.498 1.00 0.00 C ATOM 907 O SER A 57 19.280 18.967 13.704 1.00 0.00 O ATOM 908 CB SER A 57 20.974 17.975 11.269 1.00 0.00 C ATOM 909 OG SER A 57 21.410 18.252 9.944 1.00 0.00 O ATOM 0 H SER A 57 23.138 19.108 11.739 1.00 0.00 H new ATOM 0 HA SER A 57 20.450 20.035 11.616 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.602 17.205 11.717 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.955 17.588 11.255 1.00 0.00 H new ATOM 0 HG SER A 57 22.354 18.517 9.959 1.00 0.00 H new ATOM 915 N ASP A 58 21.333 18.770 14.458 1.00 0.00 N ATOM 916 CA ASP A 58 20.852 18.490 15.839 1.00 0.00 C ATOM 917 C ASP A 58 20.232 19.757 16.433 1.00 0.00 C ATOM 918 O ASP A 58 19.479 19.697 17.386 1.00 0.00 O ATOM 919 CB ASP A 58 22.023 18.037 16.713 1.00 0.00 C ATOM 920 CG ASP A 58 21.493 17.534 18.058 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.705 16.601 18.050 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.881 18.087 19.073 1.00 0.00 O ATOM 0 H ASP A 58 22.347 18.776 14.345 1.00 0.00 H new ATOM 0 HA ASP A 58 20.102 17.700 15.804 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.580 17.246 16.211 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.715 18.864 16.869 1.00 0.00 H new ATOM 927 N TYR A 59 20.552 20.904 15.885 1.00 0.00 N ATOM 928 CA TYR A 59 19.997 22.189 16.417 1.00 0.00 C ATOM 929 C TYR A 59 18.945 22.756 15.455 1.00 0.00 C ATOM 930 O TYR A 59 18.492 23.870 15.620 1.00 0.00 O ATOM 931 CB TYR A 59 21.143 23.202 16.560 1.00 0.00 C ATOM 932 CG TYR A 59 21.903 22.947 17.844 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.223 22.479 17.803 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.287 23.198 19.076 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.924 22.262 18.997 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.987 22.977 20.267 1.00 0.00 C ATOM 937 CZ TYR A 59 23.305 22.510 20.228 1.00 0.00 C ATOM 938 OH TYR A 59 23.996 22.295 21.402 1.00 0.00 O ATOM 0 H TYR A 59 21.178 21.006 15.086 1.00 0.00 H new ATOM 0 HA TYR A 59 19.529 22.003 17.384 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.817 23.123 15.707 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.745 24.217 16.559 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.699 22.286 16.853 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.271 23.562 19.107 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.942 21.903 18.967 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.510 23.167 21.217 1.00 0.00 H new ATOM 0 HH TYR A 59 23.422 22.517 22.165 1.00 0.00 H new ATOM 948 N ASN A 60 18.551 22.018 14.451 1.00 0.00 N ATOM 949 CA ASN A 60 17.531 22.552 13.502 1.00 0.00 C ATOM 950 C ASN A 60 17.972 23.928 12.991 1.00 0.00 C ATOM 951 O ASN A 60 17.214 24.877 12.997 1.00 0.00 O ATOM 952 CB ASN A 60 16.180 22.670 14.212 1.00 0.00 C ATOM 953 CG ASN A 60 15.731 21.284 14.680 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.778 20.332 13.927 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.294 21.130 15.899 1.00 0.00 N ATOM 0 H ASN A 60 18.888 21.077 14.248 1.00 0.00 H new ATOM 0 HA ASN A 60 17.433 21.871 12.656 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.262 23.345 15.064 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.438 23.097 13.537 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.992 20.210 16.220 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.255 21.929 16.531 1.00 0.00 H new ATOM 962 N ILE A 61 19.194 24.035 12.548 1.00 0.00 N ATOM 963 CA ILE A 61 19.702 25.340 12.030 1.00 0.00 C ATOM 964 C ILE A 61 19.142 25.574 10.621 1.00 0.00 C ATOM 965 O ILE A 61 18.518 24.706 10.044 1.00 0.00 O ATOM 966 CB ILE A 61 21.236 25.286 12.008 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.755 25.313 13.451 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.810 26.485 11.244 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.216 24.870 13.474 1.00 0.00 C ATOM 0 H ILE A 61 19.868 23.270 12.522 1.00 0.00 H new ATOM 0 HA ILE A 61 19.382 26.164 12.668 1.00 0.00 H new ATOM 0 HB ILE A 61 21.550 24.370 11.507 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.662 26.318 13.864 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.154 24.654 14.078 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.898 26.427 11.241 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.443 26.472 10.218 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.497 27.409 11.730 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.586 24.889 14.499 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.295 23.858 13.078 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.811 25.547 12.861 1.00 0.00 H new ATOM 981 N GLN A 62 19.358 26.741 10.060 1.00 0.00 N ATOM 982 CA GLN A 62 18.838 27.034 8.686 1.00 0.00 C ATOM 983 C GLN A 62 19.898 27.797 7.882 1.00 0.00 C ATOM 984 O GLN A 62 20.614 28.634 8.399 1.00 0.00 O ATOM 985 CB GLN A 62 17.562 27.870 8.799 1.00 0.00 C ATOM 986 CG GLN A 62 16.483 27.042 9.501 1.00 0.00 C ATOM 987 CD GLN A 62 15.163 27.815 9.514 1.00 0.00 C ATOM 988 OE1 GLN A 62 15.147 29.011 9.726 1.00 0.00 O ATOM 989 NE2 GLN A 62 14.046 27.175 9.295 1.00 0.00 N ATOM 0 H GLN A 62 19.874 27.505 10.496 1.00 0.00 H new ATOM 0 HA GLN A 62 18.613 26.100 8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.759 28.784 9.360 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.220 28.171 7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.352 26.089 8.988 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.792 26.815 10.521 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.060 26.171 9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.159 27.679 9.302 1.00 0.00 H new ATOM 998 N LYS A 63 20.008 27.499 6.616 1.00 0.00 N ATOM 999 CA LYS A 63 21.026 28.182 5.770 1.00 0.00 C ATOM 1000 C LYS A 63 20.869 29.703 5.867 1.00 0.00 C ATOM 1001 O LYS A 63 19.796 30.213 6.116 1.00 0.00 O ATOM 1002 CB LYS A 63 20.856 27.739 4.313 1.00 0.00 C ATOM 1003 CG LYS A 63 19.424 28.011 3.847 1.00 0.00 C ATOM 1004 CD LYS A 63 19.253 27.493 2.416 1.00 0.00 C ATOM 1005 CE LYS A 63 17.818 27.741 1.944 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.671 27.272 0.537 1.00 0.00 N ATOM 0 H LYS A 63 19.434 26.809 6.130 1.00 0.00 H new ATOM 0 HA LYS A 63 22.020 27.910 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.562 28.273 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.082 26.677 4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.713 27.520 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.212 29.080 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.956 27.995 1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.480 26.428 2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.115 27.215 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.580 28.802 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.696 27.440 0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.332 27.793 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.882 26.255 0.486 1.00 0.00 H new ATOM 1020 N GLU A 64 21.948 30.417 5.668 1.00 0.00 N ATOM 1021 CA GLU A 64 21.921 31.909 5.732 1.00 0.00 C ATOM 1022 C GLU A 64 21.586 32.389 7.148 1.00 0.00 C ATOM 1023 O GLU A 64 21.371 33.564 7.372 1.00 0.00 O ATOM 1024 CB GLU A 64 20.900 32.465 4.733 1.00 0.00 C ATOM 1025 CG GLU A 64 21.115 31.802 3.371 1.00 0.00 C ATOM 1026 CD GLU A 64 20.202 32.456 2.333 1.00 0.00 C ATOM 1027 OE1 GLU A 64 20.355 33.644 2.103 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.366 31.757 1.784 1.00 0.00 O ATOM 0 H GLU A 64 22.864 30.020 5.460 1.00 0.00 H new ATOM 0 HA GLU A 64 22.912 32.278 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.887 32.275 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.010 33.546 4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.157 31.901 3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.902 30.735 3.437 1.00 0.00 H new ATOM 1066 N LEU A 67 25.241 32.947 13.290 1.00 0.00 N ATOM 1067 CA LEU A 67 25.619 32.351 14.606 1.00 0.00 C ATOM 1068 C LEU A 67 26.242 33.440 15.483 1.00 0.00 C ATOM 1069 O LEU A 67 26.955 34.298 15.002 1.00 0.00 O ATOM 1070 CB LEU A 67 26.651 31.240 14.380 1.00 0.00 C ATOM 1071 CG LEU A 67 25.960 29.979 13.851 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.235 30.295 12.537 1.00 0.00 C ATOM 1073 CD2 LEU A 67 27.012 28.894 13.609 1.00 0.00 C ATOM 0 HA LEU A 67 24.735 31.939 15.093 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.407 31.575 13.670 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.167 31.017 15.314 1.00 0.00 H new ATOM 0 HG LEU A 67 25.232 29.629 14.583 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.746 29.395 12.166 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.487 31.069 12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.956 30.647 11.799 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.526 27.994 13.232 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.738 29.248 12.877 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.522 28.666 14.545 1.00 0.00 H new ATOM 1085 N HIS A 68 25.991 33.411 16.769 1.00 0.00 N ATOM 1086 CA HIS A 68 26.584 34.447 17.667 1.00 0.00 C ATOM 1087 C HIS A 68 27.937 33.952 18.169 1.00 0.00 C ATOM 1088 O HIS A 68 28.052 32.842 18.650 1.00 0.00 O ATOM 1089 CB HIS A 68 25.668 34.676 18.870 1.00 0.00 C ATOM 1090 CG HIS A 68 24.230 34.639 18.426 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.384 33.583 18.737 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.472 35.523 17.696 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.179 33.856 18.202 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.182 35.024 17.559 1.00 0.00 N ATOM 0 H HIS A 68 25.404 32.718 17.233 1.00 0.00 H new ATOM 0 HA HIS A 68 26.701 35.379 17.115 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.845 33.911 19.625 1.00 0.00 H new ATOM 0 HB3 HIS A 68 25.892 35.638 19.332 1.00 0.00 H new ATOM 0 HD1 HIS A 68 23.631 32.751 19.273 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.824 36.460 17.291 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.318 33.210 18.284 1.00 0.00 H new ATOM 1103 N LEU A 69 28.962 34.760 18.059 1.00 0.00 N ATOM 1104 CA LEU A 69 30.315 34.324 18.530 1.00 0.00 C ATOM 1105 C LEU A 69 30.665 35.028 19.850 1.00 0.00 C ATOM 1106 O LEU A 69 30.837 36.231 19.897 1.00 0.00 O ATOM 1107 CB LEU A 69 31.358 34.679 17.455 1.00 0.00 C ATOM 1108 CG LEU A 69 32.567 33.736 17.545 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.646 34.205 16.564 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.134 33.753 18.969 1.00 0.00 C ATOM 0 H LEU A 69 28.922 35.700 17.665 1.00 0.00 H new ATOM 0 HA LEU A 69 30.313 33.247 18.699 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.907 34.608 16.465 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.684 35.711 17.583 1.00 0.00 H new ATOM 0 HG LEU A 69 32.254 32.722 17.295 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.507 33.539 16.624 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.247 34.191 15.550 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.954 35.219 16.819 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.991 33.082 19.027 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.447 34.765 19.224 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.367 33.423 19.670 1.00 0.00 H new ATOM 1122 N VAL A 70 30.782 34.274 20.917 1.00 0.00 N ATOM 1123 CA VAL A 70 31.132 34.862 22.251 1.00 0.00 C ATOM 1124 C VAL A 70 32.502 34.330 22.677 1.00 0.00 C ATOM 1125 O VAL A 70 32.867 33.216 22.352 1.00 0.00 O ATOM 1126 CB VAL A 70 30.073 34.441 23.274 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.295 35.191 24.589 1.00 0.00 C ATOM 1128 CG2 VAL A 70 28.681 34.769 22.726 1.00 0.00 C ATOM 0 H VAL A 70 30.648 33.263 20.921 1.00 0.00 H new ATOM 0 HA VAL A 70 31.164 35.950 22.190 1.00 0.00 H new ATOM 0 HB VAL A 70 30.152 33.369 23.456 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.539 34.888 25.313 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.285 34.956 24.979 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.219 36.264 24.413 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.925 34.471 23.452 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.605 35.841 22.543 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.521 34.229 21.793 1.00 0.00 H new ATOM 1138 N LEU A 71 33.277 35.118 23.382 1.00 0.00 N ATOM 1139 CA LEU A 71 34.635 34.655 23.804 1.00 0.00 C ATOM 1140 C LEU A 71 34.844 34.885 25.296 1.00 0.00 C ATOM 1141 O LEU A 71 33.936 35.196 26.035 1.00 0.00 O ATOM 1142 CB LEU A 71 35.721 35.394 23.002 1.00 0.00 C ATOM 1143 CG LEU A 71 35.328 35.458 21.504 1.00 0.00 C ATOM 1144 CD1 LEU A 71 34.577 36.761 21.213 1.00 0.00 C ATOM 1145 CD2 LEU A 71 36.585 35.415 20.625 1.00 0.00 C ATOM 0 H LEU A 71 33.028 36.060 23.683 1.00 0.00 H new ATOM 0 HA LEU A 71 34.709 33.586 23.604 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.851 36.402 23.395 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.677 34.883 23.113 1.00 0.00 H new ATOM 0 HG LEU A 71 34.690 34.603 21.281 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.305 36.797 20.158 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.674 36.804 21.822 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.217 37.611 21.452 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.296 35.461 19.575 1.00 0.00 H new ATOM 0 HD22 LEU A 71 37.225 36.265 20.863 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.128 34.489 20.812 1.00 0.00 H new