USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 8 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 9 ASN : amide:sc= -0.374 K(o=-0.37,f=-0.93) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 139:sc= 1.4 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 1.17 (180deg=1.14) USER MOD Single : A 18 LYS NZ :NH3+ 154:sc= 0.567 (180deg=0.251) USER MOD Single : A 19 THR OG1 : rot 77:sc= 0.964 USER MOD Single : A 24 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.089) USER MOD Single : A 28 TYR OH : rot -175:sc= 0.382 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.432 K(o=0.43,f=-1.5) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 54 SER OG : rot 35:sc= 0.0869 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.4) USER MOD Single : A 69 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.2) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.131 X(o=0.13,f=-0.16) USER MOD Single : B 201 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 203 GLN : amide:sc= -0.009 X(o=-0.009,f=-0.009) USER MOD Single : B 204 MET CE :methyl 173:sc= 0 (180deg=-0.0214) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 35.078 44.749 39.954 1.00 0.00 N ATOM 53 CA VAL A 5 35.496 43.596 40.688 1.00 0.00 C ATOM 54 C VAL A 5 35.366 42.335 39.907 1.00 0.00 C ATOM 55 O VAL A 5 36.320 41.576 39.739 1.00 0.00 O ATOM 56 CB VAL A 5 34.690 43.509 41.950 1.00 0.00 C ATOM 57 CG1 VAL A 5 34.859 42.161 42.671 1.00 0.00 C ATOM 58 CG2 VAL A 5 35.140 44.667 42.856 1.00 0.00 C ATOM 0 HA VAL A 5 36.556 43.710 40.915 1.00 0.00 H new ATOM 0 HB VAL A 5 33.630 43.583 41.706 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.253 42.155 43.577 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.537 41.354 42.013 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.907 42.018 42.934 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.576 44.640 43.788 1.00 0.00 H new ATOM 0 HG22 VAL A 5 36.204 44.567 43.072 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.960 45.616 42.350 1.00 0.00 H new ATOM 68 N GLU A 6 34.155 42.080 39.380 1.00 0.00 N ATOM 69 CA GLU A 6 33.821 40.859 38.715 1.00 0.00 C ATOM 70 C GLU A 6 34.357 40.807 37.324 1.00 0.00 C ATOM 71 O GLU A 6 34.576 39.727 36.779 1.00 0.00 O ATOM 72 CB GLU A 6 32.326 40.520 38.838 1.00 0.00 C ATOM 73 CG GLU A 6 32.070 39.913 40.219 1.00 0.00 C ATOM 74 CD GLU A 6 30.783 40.355 40.902 1.00 0.00 C ATOM 75 OE1 GLU A 6 30.559 41.585 41.051 1.00 0.00 O ATOM 76 OE2 GLU A 6 30.022 39.476 41.385 1.00 0.00 O ATOM 0 H GLU A 6 33.383 42.746 39.418 1.00 0.00 H new ATOM 0 HA GLU A 6 34.333 40.051 39.238 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.723 41.418 38.703 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.033 39.818 38.057 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.055 38.827 40.122 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.909 40.163 40.868 1.00 0.00 H new ATOM 83 N PHE A 7 34.723 41.978 36.774 1.00 0.00 N ATOM 84 CA PHE A 7 35.579 42.058 35.632 1.00 0.00 C ATOM 85 C PHE A 7 36.870 41.361 35.894 1.00 0.00 C ATOM 86 O PHE A 7 37.249 40.446 35.164 1.00 0.00 O ATOM 87 CB PHE A 7 35.791 43.524 35.223 1.00 0.00 C ATOM 88 CG PHE A 7 36.639 43.660 34.005 1.00 0.00 C ATOM 89 CD1 PHE A 7 36.197 43.182 32.794 1.00 0.00 C ATOM 90 CD2 PHE A 7 37.890 44.226 34.084 1.00 0.00 C ATOM 91 CE1 PHE A 7 36.974 43.304 31.667 1.00 0.00 C ATOM 92 CE2 PHE A 7 38.676 44.350 32.962 1.00 0.00 C ATOM 93 CZ PHE A 7 38.210 43.900 31.749 1.00 0.00 C ATOM 0 H PHE A 7 34.419 42.885 37.128 1.00 0.00 H new ATOM 0 HA PHE A 7 35.100 41.550 34.795 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.823 43.991 35.042 1.00 0.00 H new ATOM 0 HB3 PHE A 7 36.256 44.064 36.048 1.00 0.00 H new ATOM 0 HD1 PHE A 7 35.230 42.706 32.728 1.00 0.00 H new ATOM 0 HD2 PHE A 7 38.259 44.577 35.037 1.00 0.00 H new ATOM 0 HE1 PHE A 7 36.614 42.932 30.719 1.00 0.00 H new ATOM 0 HE2 PHE A 7 39.656 44.799 33.033 1.00 0.00 H new ATOM 0 HZ PHE A 7 38.815 44.015 30.861 1.00 0.00 H new ATOM 103 N ASN A 8 37.544 41.677 37.014 1.00 0.00 N ATOM 104 CA ASN A 8 38.834 41.162 37.356 1.00 0.00 C ATOM 105 C ASN A 8 38.758 39.740 37.792 1.00 0.00 C ATOM 106 O ASN A 8 39.723 38.987 37.664 1.00 0.00 O ATOM 107 CB ASN A 8 39.487 41.998 38.469 1.00 0.00 C ATOM 108 CG ASN A 8 39.763 43.423 38.009 1.00 0.00 C ATOM 109 OD1 ASN A 8 40.080 43.708 36.856 1.00 0.00 O ATOM 110 ND2 ASN A 8 39.692 44.383 38.969 1.00 0.00 N ATOM 0 H ASN A 8 37.173 42.321 37.713 1.00 0.00 H new ATOM 0 HA ASN A 8 39.446 41.221 36.456 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.834 42.016 39.342 1.00 0.00 H new ATOM 0 HB3 ASN A 8 40.420 41.528 38.779 1.00 0.00 H new ATOM 0 HD21 ASN A 8 39.903 45.353 38.736 1.00 0.00 H new ATOM 0 HD22 ASN A 8 39.428 44.133 39.922 1.00 0.00 H new ATOM 117 N ASN A 9 37.591 39.276 38.275 1.00 0.00 N ATOM 118 CA ASN A 9 37.383 37.900 38.605 1.00 0.00 C ATOM 119 C ASN A 9 37.245 37.062 37.381 1.00 0.00 C ATOM 120 O ASN A 9 37.656 35.904 37.357 1.00 0.00 O ATOM 121 CB ASN A 9 36.150 37.663 39.492 1.00 0.00 C ATOM 122 CG ASN A 9 36.202 38.392 40.827 1.00 0.00 C ATOM 123 OD1 ASN A 9 35.176 38.859 41.319 1.00 0.00 O ATOM 124 ND2 ASN A 9 37.394 38.476 41.474 1.00 0.00 N ATOM 0 H ASN A 9 36.777 39.868 38.439 1.00 0.00 H new ATOM 0 HA ASN A 9 38.270 37.609 39.168 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.259 37.980 38.951 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.047 36.594 39.677 1.00 0.00 H new ATOM 0 HD21 ASN A 9 37.449 38.933 42.384 1.00 0.00 H new ATOM 0 HD22 ASN A 9 38.234 38.082 41.049 1.00 0.00 H new ATOM 131 N ALA A 10 36.701 37.643 36.296 1.00 0.00 N ATOM 132 CA ALA A 10 36.688 37.056 34.991 1.00 0.00 C ATOM 133 C ALA A 10 38.064 36.954 34.428 1.00 0.00 C ATOM 134 O ALA A 10 38.468 35.892 33.956 1.00 0.00 O ATOM 135 CB ALA A 10 35.735 37.824 34.060 1.00 0.00 C ATOM 0 H ALA A 10 36.252 38.558 36.329 1.00 0.00 H new ATOM 0 HA ALA A 10 36.309 36.038 35.077 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.740 37.362 33.073 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.725 37.796 34.469 1.00 0.00 H new ATOM 0 HB3 ALA A 10 36.064 38.860 33.977 1.00 0.00 H new ATOM 141 N ILE A 11 38.873 38.025 34.524 1.00 0.00 N ATOM 142 CA ILE A 11 40.237 38.073 34.100 1.00 0.00 C ATOM 143 C ILE A 11 41.085 37.003 34.699 1.00 0.00 C ATOM 144 O ILE A 11 41.783 36.276 33.995 1.00 0.00 O ATOM 145 CB ILE A 11 40.922 39.366 34.428 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.171 40.609 33.921 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.325 39.435 33.800 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.588 40.493 32.513 1.00 0.00 C ATOM 0 H ILE A 11 38.555 38.909 34.921 1.00 0.00 H new ATOM 0 HA ILE A 11 40.153 37.942 33.021 1.00 0.00 H new ATOM 0 HB ILE A 11 40.960 39.377 35.517 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.360 40.831 34.615 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.852 41.459 33.945 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.793 40.385 34.058 1.00 0.00 H new ATOM 0 HG22 ILE A 11 42.935 38.615 34.180 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.243 39.353 32.716 1.00 0.00 H new ATOM 0 HD11 ILE A 11 39.080 41.421 32.252 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.392 40.307 31.801 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.876 39.668 32.481 1.00 0.00 H new ATOM 160 N SER A 12 41.023 36.868 36.035 1.00 0.00 N ATOM 161 CA SER A 12 41.756 35.930 36.829 1.00 0.00 C ATOM 162 C SER A 12 41.683 34.522 36.347 1.00 0.00 C ATOM 163 O SER A 12 42.659 33.775 36.364 1.00 0.00 O ATOM 164 CB SER A 12 41.283 35.956 38.292 1.00 0.00 C ATOM 165 OG SER A 12 42.103 35.154 39.130 1.00 0.00 O ATOM 0 H SER A 12 40.415 37.459 36.602 1.00 0.00 H new ATOM 0 HA SER A 12 42.793 36.255 36.742 1.00 0.00 H new ATOM 0 HB2 SER A 12 41.287 36.983 38.656 1.00 0.00 H new ATOM 0 HB3 SER A 12 40.253 35.603 38.347 1.00 0.00 H new ATOM 0 HG SER A 12 41.771 35.198 40.051 1.00 0.00 H new ATOM 171 N TYR A 13 40.500 34.122 35.846 1.00 0.00 N ATOM 172 CA TYR A 13 40.224 32.831 35.297 1.00 0.00 C ATOM 173 C TYR A 13 40.915 32.630 33.991 1.00 0.00 C ATOM 174 O TYR A 13 41.701 31.697 33.838 1.00 0.00 O ATOM 175 CB TYR A 13 38.694 32.682 35.232 1.00 0.00 C ATOM 176 CG TYR A 13 38.202 31.514 34.447 1.00 0.00 C ATOM 177 CD1 TYR A 13 38.615 30.222 34.673 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.352 31.785 33.402 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.194 29.212 33.840 1.00 0.00 C ATOM 180 CE2 TYR A 13 36.935 30.782 32.558 1.00 0.00 C ATOM 181 CZ TYR A 13 37.371 29.496 32.775 1.00 0.00 C ATOM 182 OH TYR A 13 37.023 28.513 31.824 1.00 0.00 O ATOM 0 H TYR A 13 39.688 34.738 35.823 1.00 0.00 H new ATOM 0 HA TYR A 13 40.624 32.037 35.928 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.309 32.604 36.249 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.275 33.591 34.801 1.00 0.00 H new ATOM 0 HD1 TYR A 13 39.269 30.001 35.503 1.00 0.00 H new ATOM 0 HD2 TYR A 13 37.008 32.796 33.242 1.00 0.00 H new ATOM 0 HE1 TYR A 13 38.510 28.195 34.022 1.00 0.00 H new ATOM 0 HE2 TYR A 13 36.272 31.002 31.734 1.00 0.00 H new ATOM 0 HH TYR A 13 36.075 28.602 31.593 1.00 0.00 H new ATOM 192 N VAL A 14 40.695 33.512 32.999 1.00 0.00 N ATOM 193 CA VAL A 14 41.306 33.453 31.709 1.00 0.00 C ATOM 194 C VAL A 14 42.788 33.606 31.758 1.00 0.00 C ATOM 195 O VAL A 14 43.529 33.001 30.985 1.00 0.00 O ATOM 196 CB VAL A 14 40.744 34.470 30.761 1.00 0.00 C ATOM 197 CG1 VAL A 14 40.964 34.004 29.312 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.223 34.623 30.921 1.00 0.00 C ATOM 0 H VAL A 14 40.060 34.304 33.103 1.00 0.00 H new ATOM 0 HA VAL A 14 41.073 32.454 31.340 1.00 0.00 H new ATOM 0 HB VAL A 14 41.248 35.411 30.981 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.555 34.745 28.625 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.032 33.887 29.125 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.462 33.049 29.157 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.856 35.369 30.216 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.738 33.667 30.723 1.00 0.00 H new ATOM 0 HG23 VAL A 14 38.994 34.942 31.938 1.00 0.00 H new ATOM 208 N ASN A 15 43.316 34.391 32.714 1.00 0.00 N ATOM 209 CA ASN A 15 44.712 34.468 33.019 1.00 0.00 C ATOM 210 C ASN A 15 45.338 33.189 33.459 1.00 0.00 C ATOM 211 O ASN A 15 46.450 32.856 33.053 1.00 0.00 O ATOM 212 CB ASN A 15 44.931 35.544 34.095 1.00 0.00 C ATOM 213 CG ASN A 15 46.397 35.905 34.286 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.101 36.226 33.330 1.00 0.00 O ATOM 215 ND2 ASN A 15 46.874 35.865 35.559 1.00 0.00 N ATOM 0 H ASN A 15 42.745 34.999 33.301 1.00 0.00 H new ATOM 0 HA ASN A 15 45.207 34.722 32.082 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.374 36.441 33.823 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.523 35.191 35.042 1.00 0.00 H new ATOM 0 HD21 ASN A 15 47.847 36.106 35.747 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.259 35.594 36.326 1.00 0.00 H new ATOM 222 N LYS A 16 44.665 32.383 34.299 1.00 0.00 N ATOM 223 CA LYS A 16 45.129 31.084 34.677 1.00 0.00 C ATOM 224 C LYS A 16 45.179 30.127 33.536 1.00 0.00 C ATOM 225 O LYS A 16 46.106 29.328 33.415 1.00 0.00 O ATOM 226 CB LYS A 16 44.290 30.487 35.819 1.00 0.00 C ATOM 227 CG LYS A 16 44.648 31.092 37.178 1.00 0.00 C ATOM 228 CD LYS A 16 43.832 30.520 38.340 1.00 0.00 C ATOM 229 CE LYS A 16 42.417 31.092 38.448 1.00 0.00 C ATOM 230 NZ LYS A 16 41.750 30.514 39.634 1.00 0.00 N ATOM 0 H LYS A 16 43.775 32.641 34.727 1.00 0.00 H new ATOM 0 HA LYS A 16 46.150 31.233 35.028 1.00 0.00 H new ATOM 0 HB2 LYS A 16 43.232 30.655 35.616 1.00 0.00 H new ATOM 0 HB3 LYS A 16 44.441 29.408 35.853 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.707 30.925 37.373 1.00 0.00 H new ATOM 0 HG3 LYS A 16 44.498 32.171 37.137 1.00 0.00 H new ATOM 0 HD2 LYS A 16 43.768 29.438 38.227 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.363 30.712 39.272 1.00 0.00 H new ATOM 0 HE2 LYS A 16 42.456 32.178 38.531 1.00 0.00 H new ATOM 0 HE3 LYS A 16 41.848 30.861 37.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.850 31.008 39.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 41.565 29.504 39.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 42.365 30.623 40.466 1.00 0.00 H new ATOM 244 N ILE A 17 44.197 30.227 32.622 1.00 0.00 N ATOM 245 CA ILE A 17 44.125 29.539 31.370 1.00 0.00 C ATOM 246 C ILE A 17 45.245 29.913 30.462 1.00 0.00 C ATOM 247 O ILE A 17 45.971 29.039 29.989 1.00 0.00 O ATOM 248 CB ILE A 17 42.769 29.804 30.786 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.733 29.056 31.640 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.663 29.406 29.303 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.291 29.245 31.174 1.00 0.00 C ATOM 0 H ILE A 17 43.392 30.836 32.771 1.00 0.00 H new ATOM 0 HA ILE A 17 44.245 28.466 31.516 1.00 0.00 H new ATOM 0 HB ILE A 17 42.581 30.878 30.808 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.970 27.992 31.632 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.817 29.393 32.673 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.659 29.622 28.939 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.390 29.973 28.721 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.866 28.340 29.197 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.621 28.686 31.827 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.033 30.303 31.210 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.188 28.881 30.152 1.00 0.00 H new ATOM 263 N LYS A 18 45.471 31.217 30.226 1.00 0.00 N ATOM 264 CA LYS A 18 46.532 31.734 29.419 1.00 0.00 C ATOM 265 C LYS A 18 47.877 31.302 29.892 1.00 0.00 C ATOM 266 O LYS A 18 48.712 30.872 29.099 1.00 0.00 O ATOM 267 CB LYS A 18 46.447 33.255 29.206 1.00 0.00 C ATOM 268 CG LYS A 18 47.422 34.145 29.977 1.00 0.00 C ATOM 269 CD LYS A 18 47.419 35.621 29.570 1.00 0.00 C ATOM 270 CE LYS A 18 47.869 35.842 28.124 1.00 0.00 C ATOM 271 NZ LYS A 18 48.416 37.201 27.912 1.00 0.00 N ATOM 0 H LYS A 18 44.881 31.950 30.620 1.00 0.00 H new ATOM 0 HA LYS A 18 46.392 31.287 28.435 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.586 33.451 28.143 1.00 0.00 H new ATOM 0 HB3 LYS A 18 45.435 33.571 29.459 1.00 0.00 H new ATOM 0 HG2 LYS A 18 47.188 34.077 31.039 1.00 0.00 H new ATOM 0 HG3 LYS A 18 48.430 33.751 29.846 1.00 0.00 H new ATOM 0 HD2 LYS A 18 46.415 36.026 29.698 1.00 0.00 H new ATOM 0 HD3 LYS A 18 48.075 36.178 30.238 1.00 0.00 H new ATOM 0 HE2 LYS A 18 48.626 35.102 27.863 1.00 0.00 H new ATOM 0 HE3 LYS A 18 47.024 35.683 27.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 49.084 37.186 27.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 47.639 37.859 27.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 48.910 37.515 28.772 1.00 0.00 H new ATOM 285 N THR A 19 48.121 31.348 31.214 1.00 0.00 N ATOM 286 CA THR A 19 49.362 30.978 31.821 1.00 0.00 C ATOM 287 C THR A 19 49.664 29.526 31.684 1.00 0.00 C ATOM 288 O THR A 19 50.819 29.152 31.486 1.00 0.00 O ATOM 289 CB THR A 19 49.407 31.381 33.266 1.00 0.00 C ATOM 290 OG1 THR A 19 49.234 32.782 33.419 1.00 0.00 O ATOM 291 CG2 THR A 19 50.775 31.067 33.894 1.00 0.00 C ATOM 0 H THR A 19 47.422 31.657 31.890 1.00 0.00 H new ATOM 0 HA THR A 19 50.134 31.523 31.278 1.00 0.00 H new ATOM 0 HB THR A 19 48.606 30.823 33.751 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.288 33.010 33.302 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.773 31.371 34.941 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.969 29.996 33.828 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.554 31.610 33.359 1.00 0.00 H new ATOM 299 N ARG A 20 48.680 28.610 31.734 1.00 0.00 N ATOM 300 CA ARG A 20 48.946 27.238 31.427 1.00 0.00 C ATOM 301 C ARG A 20 49.102 26.975 29.969 1.00 0.00 C ATOM 302 O ARG A 20 50.084 26.362 29.555 1.00 0.00 O ATOM 303 CB ARG A 20 47.864 26.352 32.067 1.00 0.00 C ATOM 304 CG ARG A 20 47.974 24.891 31.627 1.00 0.00 C ATOM 305 CD ARG A 20 47.169 23.882 32.449 1.00 0.00 C ATOM 306 NE ARG A 20 47.852 23.712 33.763 1.00 0.00 N ATOM 307 CZ ARG A 20 48.721 22.708 34.076 1.00 0.00 C ATOM 308 NH1 ARG A 20 49.050 21.686 33.232 1.00 0.00 N ATOM 309 NH2 ARG A 20 49.301 22.725 35.312 1.00 0.00 N ATOM 0 H ARG A 20 47.712 28.815 31.983 1.00 0.00 H new ATOM 0 HA ARG A 20 49.915 26.983 31.857 1.00 0.00 H new ATOM 0 HB2 ARG A 20 47.946 26.409 33.152 1.00 0.00 H new ATOM 0 HB3 ARG A 20 46.879 26.736 31.801 1.00 0.00 H new ATOM 0 HG2 ARG A 20 47.655 24.820 30.587 1.00 0.00 H new ATOM 0 HG3 ARG A 20 49.024 24.600 31.659 1.00 0.00 H new ATOM 0 HD2 ARG A 20 46.148 24.235 32.593 1.00 0.00 H new ATOM 0 HD3 ARG A 20 47.106 22.928 31.926 1.00 0.00 H new ATOM 0 HE ARG A 20 47.653 24.403 34.487 1.00 0.00 H new ATOM 0 HH11 ARG A 20 48.637 21.641 32.300 1.00 0.00 H new ATOM 0 HH12 ARG A 20 49.709 20.968 33.533 1.00 0.00 H new ATOM 0 HH21 ARG A 20 49.080 23.473 35.969 1.00 0.00 H new ATOM 0 HH22 ARG A 20 49.955 21.989 35.578 1.00 0.00 H new ATOM 323 N PHE A 21 48.171 27.423 29.106 1.00 0.00 N ATOM 324 CA PHE A 21 48.180 27.067 27.722 1.00 0.00 C ATOM 325 C PHE A 21 49.073 27.916 26.884 1.00 0.00 C ATOM 326 O PHE A 21 48.756 28.288 25.756 1.00 0.00 O ATOM 327 CB PHE A 21 46.755 27.029 27.144 1.00 0.00 C ATOM 328 CG PHE A 21 45.901 26.055 27.879 1.00 0.00 C ATOM 329 CD1 PHE A 21 46.286 24.751 28.084 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.680 26.467 28.360 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.483 23.881 28.784 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.871 25.612 29.072 1.00 0.00 C ATOM 333 CZ PHE A 21 44.280 24.316 29.285 1.00 0.00 C ATOM 0 H PHE A 21 47.403 28.039 29.373 1.00 0.00 H new ATOM 0 HA PHE A 21 48.602 26.063 27.684 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.310 28.022 27.201 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.795 26.758 26.089 1.00 0.00 H new ATOM 0 HD1 PHE A 21 47.231 24.406 27.690 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.351 27.479 28.176 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.797 22.859 28.939 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.923 25.955 29.460 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.654 23.639 29.847 1.00 0.00 H new ATOM 343 N LEU A 22 50.299 28.176 27.371 1.00 0.00 N ATOM 344 CA LEU A 22 51.362 28.815 26.657 1.00 0.00 C ATOM 345 C LEU A 22 51.960 27.880 25.662 1.00 0.00 C ATOM 346 O LEU A 22 52.230 28.237 24.517 1.00 0.00 O ATOM 347 CB LEU A 22 52.467 29.337 27.590 1.00 0.00 C ATOM 348 CG LEU A 22 51.944 30.425 28.542 1.00 0.00 C ATOM 349 CD1 LEU A 22 53.045 30.727 29.574 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.501 31.728 27.857 1.00 0.00 C ATOM 0 H LEU A 22 50.565 27.924 28.323 1.00 0.00 H new ATOM 0 HA LEU A 22 50.922 29.671 26.146 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.872 28.509 28.172 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.286 29.739 26.994 1.00 0.00 H new ATOM 0 HG LEU A 22 51.041 30.029 29.006 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.697 31.498 30.262 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.279 29.821 30.132 1.00 0.00 H new ATOM 0 HD13 LEU A 22 53.940 31.077 29.059 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.148 32.433 28.610 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.345 32.162 27.320 1.00 0.00 H new ATOM 0 HD23 LEU A 22 50.695 31.514 27.155 1.00 0.00 H new ATOM 362 N ASP A 23 52.123 26.607 26.068 1.00 0.00 N ATOM 363 CA ASP A 23 52.572 25.570 25.193 1.00 0.00 C ATOM 364 C ASP A 23 51.491 25.073 24.297 1.00 0.00 C ATOM 365 O ASP A 23 51.710 24.253 23.407 1.00 0.00 O ATOM 366 CB ASP A 23 53.204 24.447 26.031 1.00 0.00 C ATOM 367 CG ASP A 23 53.972 23.447 25.178 1.00 0.00 C ATOM 368 OD1 ASP A 23 54.709 23.889 24.257 1.00 0.00 O ATOM 369 OD2 ASP A 23 53.853 22.219 25.437 1.00 0.00 O ATOM 0 H ASP A 23 51.939 26.293 27.021 1.00 0.00 H new ATOM 0 HA ASP A 23 53.329 25.978 24.524 1.00 0.00 H new ATOM 0 HB2 ASP A 23 53.877 24.883 26.769 1.00 0.00 H new ATOM 0 HB3 ASP A 23 52.422 23.925 26.582 1.00 0.00 H new ATOM 374 N HIS A 24 50.246 25.557 24.453 1.00 0.00 N ATOM 375 CA HIS A 24 49.163 25.129 23.623 1.00 0.00 C ATOM 376 C HIS A 24 48.342 26.284 23.163 1.00 0.00 C ATOM 377 O HIS A 24 47.194 26.376 23.594 1.00 0.00 O ATOM 378 CB HIS A 24 48.350 24.072 24.392 1.00 0.00 C ATOM 379 CG HIS A 24 49.110 22.806 24.654 1.00 0.00 C ATOM 380 ND1 HIS A 24 49.024 21.730 23.810 1.00 0.00 N ATOM 381 CD2 HIS A 24 50.012 22.466 25.614 1.00 0.00 C ATOM 382 CE1 HIS A 24 49.836 20.777 24.228 1.00 0.00 C ATOM 383 NE2 HIS A 24 50.447 21.201 25.319 1.00 0.00 N ATOM 0 H HIS A 24 49.988 26.248 25.158 1.00 0.00 H new ATOM 0 HA HIS A 24 49.544 24.670 22.711 1.00 0.00 H new ATOM 0 HB2 HIS A 24 48.026 24.495 25.343 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.449 23.835 23.825 1.00 0.00 H new ATOM 0 HD2 HIS A 24 50.325 23.076 26.448 1.00 0.00 H new ATOM 0 HE1 HIS A 24 49.977 19.815 23.758 1.00 0.00 H new ATOM 0 HE2 HIS A 24 51.133 20.671 25.856 1.00 0.00 H new ATOM 392 N PRO A 25 48.747 27.173 22.305 1.00 0.00 N ATOM 393 CA PRO A 25 48.033 28.388 22.041 1.00 0.00 C ATOM 394 C PRO A 25 46.793 28.217 21.234 1.00 0.00 C ATOM 395 O PRO A 25 46.047 29.174 21.028 1.00 0.00 O ATOM 396 CB PRO A 25 49.011 29.274 21.272 1.00 0.00 C ATOM 397 CG PRO A 25 50.390 28.700 21.633 1.00 0.00 C ATOM 398 CD PRO A 25 50.068 27.198 21.697 1.00 0.00 C ATOM 0 HA PRO A 25 47.697 28.809 22.989 1.00 0.00 H new ATOM 0 HB2 PRO A 25 48.829 29.232 20.198 1.00 0.00 H new ATOM 0 HB3 PRO A 25 48.923 30.319 21.569 1.00 0.00 H new ATOM 0 HG2 PRO A 25 51.143 28.930 20.880 1.00 0.00 H new ATOM 0 HG3 PRO A 25 50.762 29.084 22.583 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.065 26.743 20.706 1.00 0.00 H new ATOM 0 HD3 PRO A 25 50.798 26.654 22.296 1.00 0.00 H new ATOM 406 N GLU A 26 46.530 26.990 20.748 1.00 0.00 N ATOM 407 CA GLU A 26 45.366 26.593 20.018 1.00 0.00 C ATOM 408 C GLU A 26 44.216 26.360 20.935 1.00 0.00 C ATOM 409 O GLU A 26 43.058 26.392 20.522 1.00 0.00 O ATOM 410 CB GLU A 26 45.689 25.415 19.083 1.00 0.00 C ATOM 411 CG GLU A 26 46.485 24.276 19.723 1.00 0.00 C ATOM 412 CD GLU A 26 46.881 23.175 18.750 1.00 0.00 C ATOM 413 OE1 GLU A 26 47.603 23.443 17.752 1.00 0.00 O ATOM 414 OE2 GLU A 26 46.542 21.997 19.039 1.00 0.00 O ATOM 0 H GLU A 26 47.183 26.217 20.876 1.00 0.00 H new ATOM 0 HA GLU A 26 45.049 27.406 19.365 1.00 0.00 H new ATOM 0 HB2 GLU A 26 44.753 25.011 18.697 1.00 0.00 H new ATOM 0 HB3 GLU A 26 46.250 25.793 18.228 1.00 0.00 H new ATOM 0 HG2 GLU A 26 47.387 24.687 20.177 1.00 0.00 H new ATOM 0 HG3 GLU A 26 45.893 23.840 20.528 1.00 0.00 H new ATOM 421 N ILE A 27 44.457 26.183 22.247 1.00 0.00 N ATOM 422 CA ILE A 27 43.435 26.148 23.246 1.00 0.00 C ATOM 423 C ILE A 27 42.869 27.513 23.432 1.00 0.00 C ATOM 424 O ILE A 27 41.668 27.674 23.643 1.00 0.00 O ATOM 425 CB ILE A 27 43.850 25.653 24.600 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.827 24.469 24.676 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.586 25.210 25.356 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.817 23.492 23.502 1.00 0.00 C ATOM 0 H ILE A 27 45.396 26.060 22.625 1.00 0.00 H new ATOM 0 HA ILE A 27 42.714 25.428 22.859 1.00 0.00 H new ATOM 0 HB ILE A 27 44.389 26.502 25.021 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.836 24.867 24.778 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.612 23.909 25.586 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.863 24.845 26.345 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.908 26.057 25.458 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.091 24.413 24.801 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.550 22.704 23.678 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.825 23.050 23.405 1.00 0.00 H new ATOM 0 HD13 ILE A 27 45.069 24.023 22.584 1.00 0.00 H new ATOM 440 N TYR A 28 43.708 28.561 23.338 1.00 0.00 N ATOM 441 CA TYR A 28 43.332 29.925 23.541 1.00 0.00 C ATOM 442 C TYR A 28 42.261 30.363 22.602 1.00 0.00 C ATOM 443 O TYR A 28 41.326 31.058 22.994 1.00 0.00 O ATOM 444 CB TYR A 28 44.532 30.887 23.558 1.00 0.00 C ATOM 445 CG TYR A 28 44.201 32.145 24.286 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.319 32.205 25.654 1.00 0.00 C ATOM 447 CD2 TYR A 28 43.710 33.239 23.613 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.928 33.327 26.346 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.339 34.375 24.293 1.00 0.00 C ATOM 450 CZ TYR A 28 43.453 34.423 25.663 1.00 0.00 C ATOM 451 OH TYR A 28 43.074 35.575 26.383 1.00 0.00 O ATOM 0 H TYR A 28 44.696 28.451 23.109 1.00 0.00 H new ATOM 0 HA TYR A 28 42.905 29.971 24.543 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.384 30.402 24.033 1.00 0.00 H new ATOM 0 HB3 TYR A 28 44.828 31.122 22.536 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.724 31.361 26.192 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.615 33.206 22.538 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.994 33.348 27.424 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.958 35.229 23.752 1.00 0.00 H new ATOM 0 HH TYR A 28 42.686 36.232 25.768 1.00 0.00 H new ATOM 461 N ARG A 29 42.313 29.888 21.344 1.00 0.00 N ATOM 462 CA ARG A 29 41.241 30.004 20.406 1.00 0.00 C ATOM 463 C ARG A 29 40.075 29.122 20.695 1.00 0.00 C ATOM 464 O ARG A 29 38.956 29.604 20.862 1.00 0.00 O ATOM 465 CB ARG A 29 41.749 29.695 18.987 1.00 0.00 C ATOM 466 CG ARG A 29 42.617 30.794 18.372 1.00 0.00 C ATOM 467 CD ARG A 29 41.834 32.057 18.009 1.00 0.00 C ATOM 468 NE ARG A 29 42.738 32.934 17.214 1.00 0.00 N ATOM 469 CZ ARG A 29 42.901 32.846 15.862 1.00 0.00 C ATOM 470 NH1 ARG A 29 42.267 31.893 15.117 1.00 0.00 N ATOM 471 NH2 ARG A 29 43.731 33.711 15.210 1.00 0.00 N ATOM 0 H ARG A 29 43.130 29.407 20.968 1.00 0.00 H new ATOM 0 HA ARG A 29 40.890 31.033 20.491 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.323 28.768 19.014 1.00 0.00 H new ATOM 0 HB3 ARG A 29 40.891 29.520 18.337 1.00 0.00 H new ATOM 0 HG2 ARG A 29 43.409 31.056 19.074 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.101 30.405 17.476 1.00 0.00 H new ATOM 0 HD2 ARG A 29 40.943 31.803 17.434 1.00 0.00 H new ATOM 0 HD3 ARG A 29 41.497 32.570 18.909 1.00 0.00 H new ATOM 0 HE ARG A 29 43.270 33.647 17.713 1.00 0.00 H new ATOM 0 HH11 ARG A 29 41.650 31.219 15.570 1.00 0.00 H new ATOM 0 HH12 ARG A 29 42.411 31.855 14.108 1.00 0.00 H new ATOM 0 HH21 ARG A 29 44.233 34.428 15.733 1.00 0.00 H new ATOM 0 HH22 ARG A 29 43.849 33.641 14.199 1.00 0.00 H new ATOM 485 N SER A 30 40.253 27.790 20.747 1.00 0.00 N ATOM 486 CA SER A 30 39.163 26.870 20.655 1.00 0.00 C ATOM 487 C SER A 30 38.256 26.839 21.836 1.00 0.00 C ATOM 488 O SER A 30 37.078 26.516 21.687 1.00 0.00 O ATOM 489 CB SER A 30 39.605 25.425 20.364 1.00 0.00 C ATOM 490 OG SER A 30 40.226 25.352 19.089 1.00 0.00 O ATOM 0 H SER A 30 41.165 27.346 20.854 1.00 0.00 H new ATOM 0 HA SER A 30 38.605 27.270 19.809 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.298 25.086 21.134 1.00 0.00 H new ATOM 0 HB3 SER A 30 38.743 24.759 20.396 1.00 0.00 H new ATOM 0 HG SER A 30 40.505 24.429 18.914 1.00 0.00 H new ATOM 496 N PHE A 31 38.753 27.207 23.030 1.00 0.00 N ATOM 497 CA PHE A 31 37.972 27.455 24.203 1.00 0.00 C ATOM 498 C PHE A 31 36.907 28.473 23.983 1.00 0.00 C ATOM 499 O PHE A 31 35.723 28.213 24.188 1.00 0.00 O ATOM 500 CB PHE A 31 38.952 27.854 25.319 1.00 0.00 C ATOM 501 CG PHE A 31 38.413 28.469 26.565 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.207 28.129 27.133 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.171 29.435 27.185 1.00 0.00 C ATOM 504 CE1 PHE A 31 36.751 28.763 28.265 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.713 30.109 28.292 1.00 0.00 C ATOM 506 CZ PHE A 31 37.497 29.768 28.836 1.00 0.00 C ATOM 0 H PHE A 31 39.752 27.339 23.186 1.00 0.00 H new ATOM 0 HA PHE A 31 37.425 26.556 24.486 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.506 26.960 25.606 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.672 28.552 24.892 1.00 0.00 H new ATOM 0 HD1 PHE A 31 36.608 27.351 26.682 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.149 29.670 26.793 1.00 0.00 H new ATOM 0 HE1 PHE A 31 35.809 28.472 28.705 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.303 30.900 28.731 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.129 30.287 29.708 1.00 0.00 H new ATOM 516 N LEU A 32 37.278 29.681 23.523 1.00 0.00 N ATOM 517 CA LEU A 32 36.366 30.773 23.375 1.00 0.00 C ATOM 518 C LEU A 32 35.391 30.542 22.272 1.00 0.00 C ATOM 519 O LEU A 32 34.221 30.907 22.380 1.00 0.00 O ATOM 520 CB LEU A 32 37.054 32.098 23.007 1.00 0.00 C ATOM 521 CG LEU A 32 38.421 32.317 23.677 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.204 33.319 22.811 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.281 32.728 25.152 1.00 0.00 C ATOM 0 H LEU A 32 38.234 29.904 23.247 1.00 0.00 H new ATOM 0 HA LEU A 32 35.886 30.836 24.352 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.184 32.137 21.925 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.395 32.922 23.279 1.00 0.00 H new ATOM 0 HG LEU A 32 38.986 31.386 23.724 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.182 33.499 23.257 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.332 32.911 21.808 1.00 0.00 H new ATOM 0 HD13 LEU A 32 38.653 34.258 22.753 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.271 32.872 25.585 1.00 0.00 H new ATOM 0 HD22 LEU A 32 37.717 33.658 25.219 1.00 0.00 H new ATOM 0 HD23 LEU A 32 37.756 31.945 25.699 1.00 0.00 H new ATOM 535 N GLU A 33 35.848 29.919 21.171 1.00 0.00 N ATOM 536 CA GLU A 33 35.026 29.476 20.088 1.00 0.00 C ATOM 537 C GLU A 33 33.821 28.674 20.442 1.00 0.00 C ATOM 538 O GLU A 33 32.782 28.775 19.791 1.00 0.00 O ATOM 539 CB GLU A 33 35.848 28.715 19.034 1.00 0.00 C ATOM 540 CG GLU A 33 36.818 29.592 18.240 1.00 0.00 C ATOM 541 CD GLU A 33 36.107 30.513 17.258 1.00 0.00 C ATOM 542 OE1 GLU A 33 35.464 31.510 17.681 1.00 0.00 O ATOM 543 OE2 GLU A 33 36.235 30.279 16.027 1.00 0.00 O ATOM 0 H GLU A 33 36.837 29.715 21.030 1.00 0.00 H new ATOM 0 HA GLU A 33 34.637 30.412 19.687 1.00 0.00 H new ATOM 0 HB2 GLU A 33 36.413 27.926 19.531 1.00 0.00 H new ATOM 0 HB3 GLU A 33 35.164 28.228 18.339 1.00 0.00 H new ATOM 0 HG2 GLU A 33 37.409 30.192 18.932 1.00 0.00 H new ATOM 0 HG3 GLU A 33 37.515 28.955 17.695 1.00 0.00 H new ATOM 550 N ILE A 34 33.865 27.871 21.520 1.00 0.00 N ATOM 551 CA ILE A 34 32.753 27.166 22.076 1.00 0.00 C ATOM 552 C ILE A 34 31.787 28.111 22.704 1.00 0.00 C ATOM 553 O ILE A 34 30.582 28.052 22.463 1.00 0.00 O ATOM 554 CB ILE A 34 33.261 26.137 23.044 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.120 25.085 22.322 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.092 25.439 23.759 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.127 24.388 23.237 1.00 0.00 C ATOM 0 H ILE A 34 34.730 27.705 22.034 1.00 0.00 H new ATOM 0 HA ILE A 34 32.207 26.650 21.286 1.00 0.00 H new ATOM 0 HB ILE A 34 33.875 26.652 23.783 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.465 24.335 21.878 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.656 25.565 21.503 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.482 24.697 24.456 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.507 26.178 24.306 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.457 24.946 23.023 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.698 23.659 22.661 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.806 25.128 23.661 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.596 23.879 24.042 1.00 0.00 H new ATOM 569 N LEU A 35 32.264 29.092 23.490 1.00 0.00 N ATOM 570 CA LEU A 35 31.467 30.102 24.113 1.00 0.00 C ATOM 571 C LEU A 35 30.853 31.031 23.122 1.00 0.00 C ATOM 572 O LEU A 35 29.720 31.491 23.257 1.00 0.00 O ATOM 573 CB LEU A 35 32.386 30.869 25.079 1.00 0.00 C ATOM 574 CG LEU A 35 33.324 30.009 25.942 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.753 30.802 27.188 1.00 0.00 C ATOM 576 CD2 LEU A 35 32.761 28.722 26.568 1.00 0.00 C ATOM 0 H LEU A 35 33.257 29.185 23.702 1.00 0.00 H new ATOM 0 HA LEU A 35 30.635 29.637 24.642 1.00 0.00 H new ATOM 0 HB2 LEU A 35 32.993 31.563 24.498 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.763 31.469 25.742 1.00 0.00 H new ATOM 0 HG LEU A 35 34.094 29.746 25.217 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.418 30.190 27.798 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.274 31.708 26.881 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.871 31.070 27.770 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.541 28.227 27.146 1.00 0.00 H new ATOM 0 HD22 LEU A 35 31.927 28.971 27.224 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.416 28.054 25.779 1.00 0.00 H new ATOM 588 N HIS A 36 31.588 31.304 22.029 1.00 0.00 N ATOM 589 CA HIS A 36 31.217 32.070 20.880 1.00 0.00 C ATOM 590 C HIS A 36 30.082 31.466 20.128 1.00 0.00 C ATOM 591 O HIS A 36 29.272 32.199 19.562 1.00 0.00 O ATOM 592 CB HIS A 36 32.425 32.277 19.949 1.00 0.00 C ATOM 593 CG HIS A 36 32.428 33.529 19.122 1.00 0.00 C ATOM 594 ND1 HIS A 36 31.302 34.017 18.514 1.00 0.00 N ATOM 595 CD2 HIS A 36 33.458 34.331 18.742 1.00 0.00 C ATOM 596 CE1 HIS A 36 31.628 35.078 17.800 1.00 0.00 C ATOM 597 NE2 HIS A 36 32.926 35.285 17.914 1.00 0.00 N ATOM 0 H HIS A 36 32.541 30.950 21.944 1.00 0.00 H new ATOM 0 HA HIS A 36 30.878 33.039 21.248 1.00 0.00 H new ATOM 0 HB2 HIS A 36 33.330 32.268 20.557 1.00 0.00 H new ATOM 0 HB3 HIS A 36 32.486 31.423 19.275 1.00 0.00 H new ATOM 0 HD1 HIS A 36 30.364 33.624 18.599 1.00 0.00 H new ATOM 0 HD2 HIS A 36 34.493 34.235 19.035 1.00 0.00 H new ATOM 0 HE1 HIS A 36 30.944 35.678 17.218 1.00 0.00 H new ATOM 606 N THR A 37 29.948 30.128 20.143 1.00 0.00 N ATOM 607 CA THR A 37 28.852 29.384 19.605 1.00 0.00 C ATOM 608 C THR A 37 27.552 29.773 20.221 1.00 0.00 C ATOM 609 O THR A 37 26.524 29.884 19.555 1.00 0.00 O ATOM 610 CB THR A 37 29.080 27.900 19.602 1.00 0.00 C ATOM 611 OG1 THR A 37 28.827 27.345 18.320 1.00 0.00 O ATOM 612 CG2 THR A 37 28.196 27.092 20.567 1.00 0.00 C ATOM 0 H THR A 37 30.656 29.525 20.561 1.00 0.00 H new ATOM 0 HA THR A 37 28.790 29.661 18.552 1.00 0.00 H new ATOM 0 HB THR A 37 30.120 27.817 19.917 1.00 0.00 H new ATOM 0 HG1 THR A 37 28.985 26.378 18.345 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.442 26.033 20.485 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.372 27.428 21.589 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.147 27.242 20.311 1.00 0.00 H new ATOM 620 N TYR A 38 27.575 30.065 21.534 1.00 0.00 N ATOM 621 CA TYR A 38 26.481 30.606 22.280 1.00 0.00 C ATOM 622 C TYR A 38 26.265 32.048 21.975 1.00 0.00 C ATOM 623 O TYR A 38 25.187 32.448 21.536 1.00 0.00 O ATOM 624 CB TYR A 38 26.682 30.286 23.771 1.00 0.00 C ATOM 625 CG TYR A 38 26.365 31.326 24.788 1.00 0.00 C ATOM 626 CD1 TYR A 38 25.083 31.809 24.905 1.00 0.00 C ATOM 627 CD2 TYR A 38 27.359 31.824 25.598 1.00 0.00 C ATOM 628 CE1 TYR A 38 24.800 32.823 25.790 1.00 0.00 C ATOM 629 CE2 TYR A 38 27.082 32.857 26.462 1.00 0.00 C ATOM 630 CZ TYR A 38 25.804 33.354 26.564 1.00 0.00 C ATOM 631 OH TYR A 38 25.549 34.406 27.469 1.00 0.00 O ATOM 0 H TYR A 38 28.405 29.915 22.107 1.00 0.00 H new ATOM 0 HA TYR A 38 25.548 30.131 21.978 1.00 0.00 H new ATOM 0 HB2 TYR A 38 26.079 29.408 24.002 1.00 0.00 H new ATOM 0 HB3 TYR A 38 27.725 30.002 23.907 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.294 31.390 24.299 1.00 0.00 H new ATOM 0 HD2 TYR A 38 28.354 31.405 25.555 1.00 0.00 H new ATOM 0 HE1 TYR A 38 23.792 33.201 25.877 1.00 0.00 H new ATOM 0 HE2 TYR A 38 27.873 33.280 27.064 1.00 0.00 H new ATOM 0 HH TYR A 38 26.379 34.650 27.929 1.00 0.00 H new ATOM 641 N GLN A 39 27.284 32.885 22.241 1.00 0.00 N ATOM 642 CA GLN A 39 27.154 34.297 22.417 1.00 0.00 C ATOM 643 C GLN A 39 26.792 35.055 21.185 1.00 0.00 C ATOM 644 O GLN A 39 26.213 36.138 21.251 1.00 0.00 O ATOM 645 CB GLN A 39 28.454 34.797 23.070 1.00 0.00 C ATOM 646 CG GLN A 39 28.291 35.854 24.164 1.00 0.00 C ATOM 647 CD GLN A 39 27.985 37.257 23.658 1.00 0.00 C ATOM 648 OE1 GLN A 39 26.992 37.881 24.030 1.00 0.00 O ATOM 649 NE2 GLN A 39 28.901 37.810 22.819 1.00 0.00 N ATOM 0 H GLN A 39 28.246 32.560 22.338 1.00 0.00 H new ATOM 0 HA GLN A 39 26.298 34.488 23.065 1.00 0.00 H new ATOM 0 HB2 GLN A 39 28.977 33.940 23.495 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.095 35.206 22.289 1.00 0.00 H new ATOM 0 HG2 GLN A 39 27.490 35.542 24.834 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.206 35.888 24.755 1.00 0.00 H new ATOM 0 HE21 GLN A 39 29.716 37.270 22.526 1.00 0.00 H new ATOM 0 HE22 GLN A 39 28.774 38.764 22.483 1.00 0.00 H new ATOM 898 N SER A 54 22.360 24.708 25.694 1.00 0.00 N ATOM 899 CA SER A 54 22.702 24.095 26.939 1.00 0.00 C ATOM 900 C SER A 54 23.969 24.670 27.476 1.00 0.00 C ATOM 901 O SER A 54 25.021 24.595 26.844 1.00 0.00 O ATOM 902 CB SER A 54 22.898 22.572 26.846 1.00 0.00 C ATOM 903 OG SER A 54 21.780 21.956 26.225 1.00 0.00 O ATOM 0 HA SER A 54 21.855 24.297 27.595 1.00 0.00 H new ATOM 0 HB2 SER A 54 23.802 22.351 26.278 1.00 0.00 H new ATOM 0 HB3 SER A 54 23.039 22.158 27.844 1.00 0.00 H new ATOM 0 HG SER A 54 21.417 22.553 25.538 1.00 0.00 H new ATOM 909 N GLU A 55 23.942 25.241 28.693 1.00 0.00 N ATOM 910 CA GLU A 55 25.083 25.699 29.424 1.00 0.00 C ATOM 911 C GLU A 55 26.063 24.602 29.661 1.00 0.00 C ATOM 912 O GLU A 55 27.279 24.767 29.595 1.00 0.00 O ATOM 913 CB GLU A 55 24.688 26.271 30.796 1.00 0.00 C ATOM 914 CG GLU A 55 23.678 27.420 30.744 1.00 0.00 C ATOM 915 CD GLU A 55 22.223 26.989 30.638 1.00 0.00 C ATOM 916 OE1 GLU A 55 21.910 25.771 30.709 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.370 27.907 30.509 1.00 0.00 O ATOM 0 H GLU A 55 23.069 25.392 29.198 1.00 0.00 H new ATOM 0 HA GLU A 55 25.534 26.478 28.810 1.00 0.00 H new ATOM 0 HB2 GLU A 55 24.272 25.467 31.403 1.00 0.00 H new ATOM 0 HB3 GLU A 55 25.588 26.620 31.302 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.797 28.030 31.640 1.00 0.00 H new ATOM 0 HG3 GLU A 55 23.917 28.056 29.891 1.00 0.00 H new ATOM 924 N GLU A 56 25.549 23.377 29.875 1.00 0.00 N ATOM 925 CA GLU A 56 26.363 22.204 29.955 1.00 0.00 C ATOM 926 C GLU A 56 27.072 21.810 28.706 1.00 0.00 C ATOM 927 O GLU A 56 28.046 21.064 28.798 1.00 0.00 O ATOM 928 CB GLU A 56 25.572 21.027 30.551 1.00 0.00 C ATOM 929 CG GLU A 56 25.157 21.303 31.998 1.00 0.00 C ATOM 930 CD GLU A 56 24.688 20.063 32.746 1.00 0.00 C ATOM 931 OE1 GLU A 56 25.462 19.070 32.808 1.00 0.00 O ATOM 932 OE2 GLU A 56 23.566 20.093 33.318 1.00 0.00 O ATOM 0 H GLU A 56 24.552 23.198 29.994 1.00 0.00 H new ATOM 0 HA GLU A 56 27.172 22.483 30.630 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.684 20.841 29.946 1.00 0.00 H new ATOM 0 HB3 GLU A 56 26.179 20.123 30.512 1.00 0.00 H new ATOM 0 HG2 GLU A 56 26.000 21.741 32.531 1.00 0.00 H new ATOM 0 HG3 GLU A 56 24.357 22.044 32.003 1.00 0.00 H new ATOM 939 N GLU A 57 26.700 22.264 27.497 1.00 0.00 N ATOM 940 CA GLU A 57 27.404 21.886 26.311 1.00 0.00 C ATOM 941 C GLU A 57 28.593 22.758 26.099 1.00 0.00 C ATOM 942 O GLU A 57 29.654 22.328 25.650 1.00 0.00 O ATOM 943 CB GLU A 57 26.570 21.756 25.024 1.00 0.00 C ATOM 944 CG GLU A 57 26.628 22.919 24.033 1.00 0.00 C ATOM 945 CD GLU A 57 25.773 22.616 22.809 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.593 22.213 22.989 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.263 22.754 21.657 1.00 0.00 O ATOM 0 H GLU A 57 25.912 22.893 27.340 1.00 0.00 H new ATOM 0 HA GLU A 57 27.720 20.862 26.511 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.890 20.853 24.504 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.529 21.607 25.310 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.277 23.832 24.513 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.660 23.095 23.729 1.00 0.00 H new ATOM 954 N VAL A 58 28.437 24.042 26.470 1.00 0.00 N ATOM 955 CA VAL A 58 29.451 25.045 26.375 1.00 0.00 C ATOM 956 C VAL A 58 30.569 24.743 27.314 1.00 0.00 C ATOM 957 O VAL A 58 31.750 24.923 27.024 1.00 0.00 O ATOM 958 CB VAL A 58 28.806 26.394 26.481 1.00 0.00 C ATOM 959 CG1 VAL A 58 28.947 27.051 27.865 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.466 27.346 25.470 1.00 0.00 C ATOM 0 H VAL A 58 27.561 24.397 26.855 1.00 0.00 H new ATOM 0 HA VAL A 58 29.945 25.050 25.403 1.00 0.00 H new ATOM 0 HB VAL A 58 27.745 26.231 26.290 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.454 28.023 27.858 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.484 26.414 28.619 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.003 27.182 28.100 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.002 28.330 25.541 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.530 27.430 25.690 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.334 26.954 24.461 1.00 0.00 H new ATOM 970 N PHE A 59 30.192 24.150 28.460 1.00 0.00 N ATOM 971 CA PHE A 59 31.001 23.418 29.386 1.00 0.00 C ATOM 972 C PHE A 59 31.618 22.183 28.825 1.00 0.00 C ATOM 973 O PHE A 59 32.839 22.036 28.867 1.00 0.00 O ATOM 974 CB PHE A 59 30.136 23.121 30.623 1.00 0.00 C ATOM 975 CG PHE A 59 30.839 22.670 31.857 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.255 21.367 31.998 1.00 0.00 C ATOM 977 CD2 PHE A 59 30.972 23.525 32.926 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.809 20.928 33.176 1.00 0.00 C ATOM 979 CE2 PHE A 59 31.532 23.099 34.107 1.00 0.00 C ATOM 980 CZ PHE A 59 31.949 21.795 34.234 1.00 0.00 C ATOM 0 H PHE A 59 29.220 24.188 28.768 1.00 0.00 H new ATOM 0 HA PHE A 59 31.861 24.033 29.651 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.574 24.023 30.866 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.409 22.356 30.350 1.00 0.00 H new ATOM 0 HD1 PHE A 59 31.145 20.680 31.172 1.00 0.00 H new ATOM 0 HD2 PHE A 59 30.632 24.546 32.836 1.00 0.00 H new ATOM 0 HE1 PHE A 59 32.134 19.903 33.271 1.00 0.00 H new ATOM 0 HE2 PHE A 59 31.644 23.786 34.932 1.00 0.00 H new ATOM 0 HZ PHE A 59 32.385 21.453 35.161 1.00 0.00 H new ATOM 990 N THR A 60 30.831 21.236 28.285 1.00 0.00 N ATOM 991 CA THR A 60 31.240 19.964 27.773 1.00 0.00 C ATOM 992 C THR A 60 32.409 19.975 26.850 1.00 0.00 C ATOM 993 O THR A 60 33.304 19.136 26.949 1.00 0.00 O ATOM 994 CB THR A 60 30.139 19.125 27.198 1.00 0.00 C ATOM 995 OG1 THR A 60 30.176 17.789 27.679 1.00 0.00 O ATOM 996 CG2 THR A 60 30.109 19.025 25.663 1.00 0.00 C ATOM 0 H THR A 60 29.824 21.373 28.200 1.00 0.00 H new ATOM 0 HA THR A 60 31.576 19.484 28.693 1.00 0.00 H new ATOM 0 HB THR A 60 29.249 19.660 27.529 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.441 17.278 27.281 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.274 18.395 25.356 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.989 20.021 25.236 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.043 18.588 25.309 1.00 0.00 H new ATOM 1004 N GLU A 61 32.452 20.931 25.904 1.00 0.00 N ATOM 1005 CA GLU A 61 33.546 21.011 24.985 1.00 0.00 C ATOM 1006 C GLU A 61 34.789 21.489 25.653 1.00 0.00 C ATOM 1007 O GLU A 61 35.788 20.773 25.637 1.00 0.00 O ATOM 1008 CB GLU A 61 33.201 21.693 23.650 1.00 0.00 C ATOM 1009 CG GLU A 61 32.177 20.920 22.817 1.00 0.00 C ATOM 1010 CD GLU A 61 32.329 21.204 21.330 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.127 22.367 20.886 1.00 0.00 O ATOM 1012 OE2 GLU A 61 32.686 20.257 20.580 1.00 0.00 O ATOM 0 H GLU A 61 31.734 21.644 25.776 1.00 0.00 H new ATOM 0 HA GLU A 61 33.768 19.993 24.665 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.814 22.692 23.851 1.00 0.00 H new ATOM 0 HB3 GLU A 61 34.114 21.816 23.067 1.00 0.00 H new ATOM 0 HG2 GLU A 61 32.294 19.851 22.997 1.00 0.00 H new ATOM 0 HG3 GLU A 61 31.170 21.189 23.137 1.00 0.00 H new ATOM 1019 N VAL A 62 34.782 22.640 26.351 1.00 0.00 N ATOM 1020 CA VAL A 62 35.877 23.243 27.045 1.00 0.00 C ATOM 1021 C VAL A 62 36.616 22.335 27.968 1.00 0.00 C ATOM 1022 O VAL A 62 37.834 22.389 28.121 1.00 0.00 O ATOM 1023 CB VAL A 62 35.351 24.408 27.829 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.444 25.093 28.668 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.789 25.398 26.795 1.00 0.00 C ATOM 0 H VAL A 62 33.931 23.197 26.435 1.00 0.00 H new ATOM 0 HA VAL A 62 36.598 23.538 26.283 1.00 0.00 H new ATOM 0 HB VAL A 62 34.594 24.069 28.536 1.00 0.00 H new ATOM 0 HG11 VAL A 62 36.011 25.930 29.216 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.864 24.376 29.373 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.232 25.459 28.010 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.389 26.272 27.308 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.585 25.707 26.118 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.994 24.917 26.225 1.00 0.00 H new ATOM 1035 N ALA A 63 35.864 21.398 28.573 1.00 0.00 N ATOM 1036 CA ALA A 63 36.349 20.368 29.438 1.00 0.00 C ATOM 1037 C ALA A 63 37.392 19.535 28.773 1.00 0.00 C ATOM 1038 O ALA A 63 38.472 19.313 29.319 1.00 0.00 O ATOM 1039 CB ALA A 63 35.182 19.460 29.862 1.00 0.00 C ATOM 0 H ALA A 63 34.852 21.358 28.449 1.00 0.00 H new ATOM 0 HA ALA A 63 36.796 20.849 30.308 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.553 18.675 30.521 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.433 20.052 30.388 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.732 19.009 28.978 1.00 0.00 H new ATOM 1045 N ASN A 64 37.129 19.095 27.531 1.00 0.00 N ATOM 1046 CA ASN A 64 37.956 18.155 26.839 1.00 0.00 C ATOM 1047 C ASN A 64 39.240 18.735 26.354 1.00 0.00 C ATOM 1048 O ASN A 64 40.245 18.040 26.208 1.00 0.00 O ATOM 1049 CB ASN A 64 37.184 17.367 25.768 1.00 0.00 C ATOM 1050 CG ASN A 64 37.087 18.000 24.387 1.00 0.00 C ATOM 1051 OD1 ASN A 64 38.069 18.048 23.649 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.871 18.458 23.985 1.00 0.00 N ATOM 0 H ASN A 64 36.319 19.401 26.992 1.00 0.00 H new ATOM 0 HA ASN A 64 38.258 17.418 27.583 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.654 16.389 25.661 1.00 0.00 H new ATOM 0 HB3 ASN A 64 36.172 17.196 26.135 1.00 0.00 H new ATOM 0 HD21 ASN A 64 35.758 18.853 23.051 1.00 0.00 H new ATOM 0 HD22 ASN A 64 35.072 18.406 24.617 1.00 0.00 H new ATOM 1059 N LEU A 65 39.255 20.059 26.120 1.00 0.00 N ATOM 1060 CA LEU A 65 40.415 20.832 25.802 1.00 0.00 C ATOM 1061 C LEU A 65 41.406 20.832 26.915 1.00 0.00 C ATOM 1062 O LEU A 65 42.615 20.745 26.713 1.00 0.00 O ATOM 1063 CB LEU A 65 40.092 22.307 25.512 1.00 0.00 C ATOM 1064 CG LEU A 65 39.388 22.578 24.172 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.953 22.028 24.198 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.354 24.085 23.864 1.00 0.00 C ATOM 0 H LEU A 65 38.406 20.623 26.155 1.00 0.00 H new ATOM 0 HA LEU A 65 40.822 20.354 24.911 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.463 22.688 26.317 1.00 0.00 H new ATOM 0 HB3 LEU A 65 41.021 22.876 25.536 1.00 0.00 H new ATOM 0 HG LEU A 65 39.954 22.072 23.390 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.469 22.228 23.242 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.979 20.953 24.373 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.392 22.513 24.997 1.00 0.00 H new ATOM 0 HD21 LEU A 65 38.851 24.250 22.911 1.00 0.00 H new ATOM 0 HD22 LEU A 65 38.814 24.606 24.655 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.373 24.468 23.808 1.00 0.00 H new ATOM 1078 N PHE A 66 40.893 20.971 28.150 1.00 0.00 N ATOM 1079 CA PHE A 66 41.660 21.342 29.298 1.00 0.00 C ATOM 1080 C PHE A 66 42.116 20.144 30.057 1.00 0.00 C ATOM 1081 O PHE A 66 43.227 20.108 30.584 1.00 0.00 O ATOM 1082 CB PHE A 66 40.826 22.206 30.259 1.00 0.00 C ATOM 1083 CG PHE A 66 40.520 23.593 29.810 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.842 24.112 28.577 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.870 24.403 30.710 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.503 25.401 28.238 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.554 25.705 30.400 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.865 26.202 29.156 1.00 0.00 C ATOM 0 H PHE A 66 39.906 20.819 28.357 1.00 0.00 H new ATOM 0 HA PHE A 66 42.520 21.901 28.929 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.883 21.693 30.448 1.00 0.00 H new ATOM 0 HB3 PHE A 66 41.354 22.264 31.211 1.00 0.00 H new ATOM 0 HD1 PHE A 66 41.370 23.497 27.863 1.00 0.00 H new ATOM 0 HD2 PHE A 66 39.602 24.009 31.679 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.737 25.783 27.255 1.00 0.00 H new ATOM 0 HE2 PHE A 66 39.064 26.334 31.129 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.609 27.220 28.900 1.00 0.00 H new ATOM 1098 N ARG A 67 41.208 19.156 30.147 1.00 0.00 N ATOM 1099 CA ARG A 67 41.177 17.955 30.922 1.00 0.00 C ATOM 1100 C ARG A 67 42.381 17.495 31.669 1.00 0.00 C ATOM 1101 O ARG A 67 43.476 17.293 31.149 1.00 0.00 O ATOM 1102 CB ARG A 67 40.514 16.861 30.068 1.00 0.00 C ATOM 1103 CG ARG A 67 41.334 16.337 28.887 1.00 0.00 C ATOM 1104 CD ARG A 67 42.050 15.012 29.160 1.00 0.00 C ATOM 1105 NE ARG A 67 42.795 14.646 27.923 1.00 0.00 N ATOM 1106 CZ ARG A 67 43.308 13.400 27.706 1.00 0.00 C ATOM 1107 NH1 ARG A 67 43.143 12.384 28.604 1.00 0.00 N ATOM 1108 NH2 ARG A 67 44.024 13.132 26.576 1.00 0.00 N ATOM 0 H ARG A 67 40.362 19.218 29.581 1.00 0.00 H new ATOM 0 HA ARG A 67 40.589 18.220 31.801 1.00 0.00 H new ATOM 0 HB2 ARG A 67 40.271 16.020 30.717 1.00 0.00 H new ATOM 0 HB3 ARG A 67 39.571 17.250 29.685 1.00 0.00 H new ATOM 0 HG2 ARG A 67 40.674 16.211 28.029 1.00 0.00 H new ATOM 0 HG3 ARG A 67 42.075 17.088 28.612 1.00 0.00 H new ATOM 0 HD2 ARG A 67 42.732 15.111 30.004 1.00 0.00 H new ATOM 0 HD3 ARG A 67 41.332 14.234 29.420 1.00 0.00 H new ATOM 0 HE ARG A 67 42.928 15.359 27.206 1.00 0.00 H new ATOM 0 HH11 ARG A 67 42.624 12.545 29.467 1.00 0.00 H new ATOM 0 HH12 ARG A 67 43.539 11.464 28.412 1.00 0.00 H new ATOM 0 HH21 ARG A 67 44.180 13.866 25.885 1.00 0.00 H new ATOM 0 HH22 ARG A 67 44.404 12.198 26.422 1.00 0.00 H new ATOM 1122 N GLY A 68 42.208 17.330 32.993 1.00 0.00 N ATOM 1123 CA GLY A 68 43.278 17.107 33.915 1.00 0.00 C ATOM 1124 C GLY A 68 43.044 17.946 35.123 1.00 0.00 C ATOM 1125 O GLY A 68 43.039 17.455 36.251 1.00 0.00 O ATOM 0 H GLY A 68 41.290 17.353 33.437 1.00 0.00 H new ATOM 0 HA2 GLY A 68 43.328 16.053 34.190 1.00 0.00 H new ATOM 0 HA3 GLY A 68 44.233 17.362 33.456 1.00 0.00 H new ATOM 1129 N GLN A 69 42.834 19.259 34.915 1.00 0.00 N ATOM 1130 CA GLN A 69 42.585 20.202 35.961 1.00 0.00 C ATOM 1131 C GLN A 69 41.154 20.616 36.010 1.00 0.00 C ATOM 1132 O GLN A 69 40.598 21.222 35.095 1.00 0.00 O ATOM 1133 CB GLN A 69 43.541 21.406 35.928 1.00 0.00 C ATOM 1134 CG GLN A 69 43.549 22.297 34.685 1.00 0.00 C ATOM 1135 CD GLN A 69 44.347 21.724 33.522 1.00 0.00 C ATOM 1136 OE1 GLN A 69 45.172 20.822 33.660 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.093 22.274 32.305 1.00 0.00 N ATOM 0 H GLN A 69 42.838 19.678 33.985 1.00 0.00 H new ATOM 0 HA GLN A 69 42.798 19.681 36.895 1.00 0.00 H new ATOM 0 HB2 GLN A 69 43.310 22.037 36.786 1.00 0.00 H new ATOM 0 HB3 GLN A 69 44.554 21.029 36.073 1.00 0.00 H new ATOM 0 HG2 GLN A 69 42.521 22.462 34.362 1.00 0.00 H new ATOM 0 HG3 GLN A 69 43.960 23.271 34.950 1.00 0.00 H new ATOM 0 HE21 GLN A 69 43.404 23.021 32.217 1.00 0.00 H new ATOM 0 HE22 GLN A 69 44.591 21.940 31.480 1.00 0.00 H new ATOM 1146 N GLU A 70 40.493 20.307 37.139 1.00 0.00 N ATOM 1147 CA GLU A 70 39.140 20.662 37.437 1.00 0.00 C ATOM 1148 C GLU A 70 39.025 22.063 37.930 1.00 0.00 C ATOM 1149 O GLU A 70 37.953 22.663 37.884 1.00 0.00 O ATOM 1150 CB GLU A 70 38.545 19.683 38.463 1.00 0.00 C ATOM 1151 CG GLU A 70 38.576 18.222 38.009 1.00 0.00 C ATOM 1152 CD GLU A 70 37.718 17.953 36.781 1.00 0.00 C ATOM 1153 OE1 GLU A 70 36.479 17.783 36.940 1.00 0.00 O ATOM 1154 OE2 GLU A 70 38.276 17.880 35.653 1.00 0.00 O ATOM 0 H GLU A 70 40.931 19.776 37.891 1.00 0.00 H new ATOM 0 HA GLU A 70 38.573 20.597 36.508 1.00 0.00 H new ATOM 0 HB2 GLU A 70 39.094 19.775 39.400 1.00 0.00 H new ATOM 0 HB3 GLU A 70 37.513 19.969 38.669 1.00 0.00 H new ATOM 0 HG2 GLU A 70 39.606 17.938 37.793 1.00 0.00 H new ATOM 0 HG3 GLU A 70 38.235 17.588 38.827 1.00 0.00 H new ATOM 1161 N ASP A 71 40.148 22.646 38.387 1.00 0.00 N ATOM 1162 CA ASP A 71 40.372 23.968 38.882 1.00 0.00 C ATOM 1163 C ASP A 71 39.773 25.039 38.036 1.00 0.00 C ATOM 1164 O ASP A 71 39.097 25.953 38.505 1.00 0.00 O ATOM 1165 CB ASP A 71 41.898 24.124 38.991 1.00 0.00 C ATOM 1166 CG ASP A 71 42.386 25.266 39.870 1.00 0.00 C ATOM 1167 OD1 ASP A 71 41.560 25.884 40.593 1.00 0.00 O ATOM 1168 OD2 ASP A 71 43.617 25.535 39.864 1.00 0.00 O ATOM 0 H ASP A 71 41.016 22.110 38.410 1.00 0.00 H new ATOM 0 HA ASP A 71 39.876 24.088 39.845 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.313 23.192 39.375 1.00 0.00 H new ATOM 0 HB3 ASP A 71 42.302 24.264 37.989 1.00 0.00 H new ATOM 1173 N LEU A 72 39.974 24.947 36.709 1.00 0.00 N ATOM 1174 CA LEU A 72 39.478 25.880 35.744 1.00 0.00 C ATOM 1175 C LEU A 72 37.995 25.833 35.602 1.00 0.00 C ATOM 1176 O LEU A 72 37.315 26.855 35.684 1.00 0.00 O ATOM 1177 CB LEU A 72 40.196 25.638 34.406 1.00 0.00 C ATOM 1178 CG LEU A 72 41.732 25.654 34.486 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.341 25.389 33.099 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.312 26.956 35.064 1.00 0.00 C ATOM 0 H LEU A 72 40.508 24.186 36.289 1.00 0.00 H new ATOM 0 HA LEU A 72 39.696 26.889 36.093 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.877 24.675 34.008 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.875 26.399 33.695 1.00 0.00 H new ATOM 0 HG LEU A 72 42.002 24.858 35.180 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.429 25.403 33.170 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.014 24.414 32.738 1.00 0.00 H new ATOM 0 HD13 LEU A 72 42.013 26.162 32.404 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.400 26.891 35.088 1.00 0.00 H new ATOM 0 HD22 LEU A 72 42.013 27.797 34.438 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.935 27.105 36.076 1.00 0.00 H new ATOM 1192 N LEU A 73 37.403 24.633 35.468 1.00 0.00 N ATOM 1193 CA LEU A 73 35.999 24.401 35.322 1.00 0.00 C ATOM 1194 C LEU A 73 35.230 24.784 36.540 1.00 0.00 C ATOM 1195 O LEU A 73 34.037 25.082 36.503 1.00 0.00 O ATOM 1196 CB LEU A 73 35.687 22.921 35.045 1.00 0.00 C ATOM 1197 CG LEU A 73 35.984 22.413 33.624 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.074 23.068 32.573 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.476 22.525 33.266 1.00 0.00 C ATOM 0 H LEU A 73 37.942 23.767 35.461 1.00 0.00 H new ATOM 0 HA LEU A 73 35.699 25.022 34.478 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.255 22.314 35.750 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.631 22.749 35.255 1.00 0.00 H new ATOM 0 HG LEU A 73 35.747 21.349 33.615 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.320 22.679 31.585 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.032 22.843 32.803 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.223 24.148 32.585 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.636 22.154 32.254 1.00 0.00 H new ATOM 0 HD22 LEU A 73 37.787 23.568 33.324 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.064 21.932 33.967 1.00 0.00 H new ATOM 1211 N SER A 74 35.940 24.831 37.681 1.00 0.00 N ATOM 1212 CA SER A 74 35.436 25.220 38.962 1.00 0.00 C ATOM 1213 C SER A 74 35.042 26.656 38.955 1.00 0.00 C ATOM 1214 O SER A 74 33.885 27.001 39.191 1.00 0.00 O ATOM 1215 CB SER A 74 36.409 24.952 40.123 1.00 0.00 C ATOM 1216 OG SER A 74 35.714 24.852 41.357 1.00 0.00 O ATOM 0 H SER A 74 36.929 24.581 37.710 1.00 0.00 H new ATOM 0 HA SER A 74 34.563 24.592 39.138 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.959 24.030 39.936 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.144 25.755 40.179 1.00 0.00 H new ATOM 0 HG SER A 74 36.353 24.680 42.080 1.00 0.00 H new ATOM 1222 N GLU A 75 35.983 27.546 38.592 1.00 0.00 N ATOM 1223 CA GLU A 75 35.743 28.951 38.472 1.00 0.00 C ATOM 1224 C GLU A 75 34.860 29.338 37.336 1.00 0.00 C ATOM 1225 O GLU A 75 34.158 30.346 37.407 1.00 0.00 O ATOM 1226 CB GLU A 75 37.030 29.793 38.441 1.00 0.00 C ATOM 1227 CG GLU A 75 37.669 29.932 39.824 1.00 0.00 C ATOM 1228 CD GLU A 75 38.214 31.329 40.082 1.00 0.00 C ATOM 1229 OE1 GLU A 75 37.427 32.312 40.038 1.00 0.00 O ATOM 1230 OE2 GLU A 75 39.427 31.457 40.399 1.00 0.00 O ATOM 0 H GLU A 75 36.943 27.279 38.375 1.00 0.00 H new ATOM 0 HA GLU A 75 35.202 29.181 39.390 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.745 29.334 37.758 1.00 0.00 H new ATOM 0 HB3 GLU A 75 36.803 30.784 38.047 1.00 0.00 H new ATOM 0 HG2 GLU A 75 36.930 29.688 40.587 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.478 29.208 39.920 1.00 0.00 H new ATOM 1237 N PHE A 76 34.794 28.512 36.276 1.00 0.00 N ATOM 1238 CA PHE A 76 33.893 28.672 35.178 1.00 0.00 C ATOM 1239 C PHE A 76 32.466 28.492 35.569 1.00 0.00 C ATOM 1240 O PHE A 76 31.551 29.086 35.001 1.00 0.00 O ATOM 1241 CB PHE A 76 34.339 27.613 34.157 1.00 0.00 C ATOM 1242 CG PHE A 76 33.663 27.601 32.828 1.00 0.00 C ATOM 1243 CD1 PHE A 76 33.959 28.539 31.867 1.00 0.00 C ATOM 1244 CD2 PHE A 76 32.844 26.545 32.503 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.525 28.377 30.572 1.00 0.00 C ATOM 1246 CE2 PHE A 76 32.365 26.406 31.221 1.00 0.00 C ATOM 1247 CZ PHE A 76 32.726 27.306 30.247 1.00 0.00 C ATOM 0 H PHE A 76 35.397 27.695 36.181 1.00 0.00 H new ATOM 0 HA PHE A 76 33.934 29.684 34.776 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.408 27.740 33.988 1.00 0.00 H new ATOM 0 HB3 PHE A 76 34.203 26.632 34.611 1.00 0.00 H new ATOM 0 HD1 PHE A 76 34.538 29.411 32.132 1.00 0.00 H new ATOM 0 HD2 PHE A 76 32.576 25.821 33.258 1.00 0.00 H new ATOM 0 HE1 PHE A 76 33.811 29.089 29.812 1.00 0.00 H new ATOM 0 HE2 PHE A 76 31.703 25.587 30.979 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.384 27.173 29.231 1.00 0.00 H new ATOM 1257 N GLY A 77 32.229 27.697 36.627 1.00 0.00 N ATOM 1258 CA GLY A 77 30.958 27.257 37.111 1.00 0.00 C ATOM 1259 C GLY A 77 30.236 28.221 37.988 1.00 0.00 C ATOM 1260 O GLY A 77 29.041 28.050 38.224 1.00 0.00 O ATOM 0 H GLY A 77 32.995 27.331 37.192 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.323 27.026 36.255 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.101 26.328 37.663 1.00 0.00 H new ATOM 1264 N GLN A 78 30.919 29.235 38.549 1.00 0.00 N ATOM 1265 CA GLN A 78 30.452 29.992 39.670 1.00 0.00 C ATOM 1266 C GLN A 78 29.274 30.845 39.347 1.00 0.00 C ATOM 1267 O GLN A 78 28.284 30.890 40.076 1.00 0.00 O ATOM 1268 CB GLN A 78 31.565 30.909 40.203 1.00 0.00 C ATOM 1269 CG GLN A 78 32.799 30.093 40.597 1.00 0.00 C ATOM 1270 CD GLN A 78 33.959 30.952 41.076 1.00 0.00 C ATOM 1271 OE1 GLN A 78 34.391 30.886 42.226 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.530 31.764 40.146 1.00 0.00 N ATOM 0 H GLN A 78 31.831 29.540 38.209 1.00 0.00 H new ATOM 0 HA GLN A 78 30.154 29.258 40.419 1.00 0.00 H new ATOM 0 HB2 GLN A 78 31.835 31.641 39.442 1.00 0.00 H new ATOM 0 HB3 GLN A 78 31.201 31.466 41.066 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.526 29.391 41.385 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.123 29.501 39.741 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.152 31.800 39.199 1.00 0.00 H new ATOM 0 HE22 GLN A 78 35.336 32.337 40.395 1.00 0.00 H new ATOM 1466 N ASN B 201 28.622 35.427 33.924 1.00 0.00 N ATOM 1467 CA ASN B 201 28.300 34.241 33.193 1.00 0.00 C ATOM 1468 C ASN B 201 29.406 33.792 32.303 1.00 0.00 C ATOM 1469 O ASN B 201 30.584 33.864 32.651 1.00 0.00 O ATOM 1470 CB ASN B 201 26.951 34.345 32.461 1.00 0.00 C ATOM 1471 CG ASN B 201 25.811 34.670 33.415 1.00 0.00 C ATOM 1472 OD1 ASN B 201 25.456 35.828 33.632 1.00 0.00 O ATOM 1473 ND2 ASN B 201 25.175 33.622 34.004 1.00 0.00 N ATOM 0 HA ASN B 201 28.180 33.453 33.937 1.00 0.00 H new ATOM 0 HB2 ASN B 201 27.013 35.116 31.693 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.741 33.405 31.952 1.00 0.00 H new ATOM 0 HD21 ASN B 201 24.392 33.790 34.636 1.00 0.00 H new ATOM 0 HD22 ASN B 201 25.481 32.668 33.814 1.00 0.00 H new ATOM 1480 N ILE B 202 29.065 33.307 31.095 1.00 0.00 N ATOM 1481 CA ILE B 202 29.973 33.045 30.022 1.00 0.00 C ATOM 1482 C ILE B 202 30.297 34.286 29.262 1.00 0.00 C ATOM 1483 O ILE B 202 31.386 34.433 28.712 1.00 0.00 O ATOM 1484 CB ILE B 202 29.404 31.956 29.162 1.00 0.00 C ATOM 1485 CG1 ILE B 202 29.383 30.607 29.902 1.00 0.00 C ATOM 1486 CG2 ILE B 202 30.129 31.839 27.811 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.739 30.006 30.267 1.00 0.00 C ATOM 0 H ILE B 202 28.099 33.085 30.854 1.00 0.00 H new ATOM 0 HA ILE B 202 30.927 32.699 30.420 1.00 0.00 H new ATOM 0 HB ILE B 202 28.373 32.235 28.946 1.00 0.00 H new ATOM 0 HG12 ILE B 202 28.807 30.730 30.819 1.00 0.00 H new ATOM 0 HG13 ILE B 202 28.847 29.887 29.283 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.680 31.037 27.225 1.00 0.00 H new ATOM 0 HG22 ILE B 202 30.039 32.779 27.267 1.00 0.00 H new ATOM 0 HG23 ILE B 202 31.183 31.618 27.981 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.590 29.058 30.784 1.00 0.00 H new ATOM 0 HD12 ILE B 202 31.318 29.837 29.359 1.00 0.00 H new ATOM 0 HD13 ILE B 202 31.278 30.693 30.919 1.00 0.00 H new ATOM 1499 N GLN B 203 29.376 35.265 29.213 1.00 0.00 N ATOM 1500 CA GLN B 203 29.456 36.470 28.447 1.00 0.00 C ATOM 1501 C GLN B 203 30.686 37.288 28.638 1.00 0.00 C ATOM 1502 O GLN B 203 31.321 37.716 27.675 1.00 0.00 O ATOM 1503 CB GLN B 203 28.179 37.295 28.677 1.00 0.00 C ATOM 1504 CG GLN B 203 28.058 38.590 27.870 1.00 0.00 C ATOM 1505 CD GLN B 203 28.468 39.815 28.676 1.00 0.00 C ATOM 1506 OE1 GLN B 203 27.775 40.217 29.608 1.00 0.00 O ATOM 1507 NE2 GLN B 203 29.613 40.454 28.313 1.00 0.00 N ATOM 0 H GLN B 203 28.511 35.209 29.750 1.00 0.00 H new ATOM 0 HA GLN B 203 29.534 36.159 27.405 1.00 0.00 H new ATOM 0 HB2 GLN B 203 27.319 36.666 28.447 1.00 0.00 H new ATOM 0 HB3 GLN B 203 28.118 37.544 29.736 1.00 0.00 H new ATOM 0 HG2 GLN B 203 28.681 38.519 26.979 1.00 0.00 H new ATOM 0 HG3 GLN B 203 27.029 38.709 27.531 1.00 0.00 H new ATOM 0 HE21 GLN B 203 30.170 40.100 27.536 1.00 0.00 H new ATOM 0 HE22 GLN B 203 29.914 41.287 28.818 1.00 0.00 H new ATOM 1516 N MET B 204 31.116 37.501 29.894 1.00 0.00 N ATOM 1517 CA MET B 204 32.323 38.191 30.231 1.00 0.00 C ATOM 1518 C MET B 204 33.587 37.583 29.727 1.00 0.00 C ATOM 1519 O MET B 204 34.598 38.276 29.621 1.00 0.00 O ATOM 1520 CB MET B 204 32.488 38.262 31.759 1.00 0.00 C ATOM 1521 CG MET B 204 31.933 39.526 32.418 1.00 0.00 C ATOM 1522 SD MET B 204 32.579 39.689 34.110 1.00 0.00 S ATOM 1523 CE MET B 204 32.040 41.379 34.496 1.00 0.00 C ATOM 0 H MET B 204 30.599 37.178 30.712 1.00 0.00 H new ATOM 0 HA MET B 204 32.195 39.160 29.749 1.00 0.00 H new ATOM 0 HB2 MET B 204 31.997 37.396 32.202 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.549 38.183 31.998 1.00 0.00 H new ATOM 0 HG2 MET B 204 32.208 40.402 31.830 1.00 0.00 H new ATOM 0 HG3 MET B 204 30.844 39.485 32.439 1.00 0.00 H new ATOM 0 HE1 MET B 204 32.246 41.596 35.544 1.00 0.00 H new ATOM 0 HE2 MET B 204 32.580 42.086 33.866 1.00 0.00 H new ATOM 0 HE3 MET B 204 30.970 41.471 34.310 1.00 0.00 H new ATOM 1533 N LEU B 205 33.620 36.278 29.408 1.00 0.00 N ATOM 1534 CA LEU B 205 34.819 35.593 29.035 1.00 0.00 C ATOM 1535 C LEU B 205 35.409 36.077 27.756 1.00 0.00 C ATOM 1536 O LEU B 205 36.624 36.140 27.575 1.00 0.00 O ATOM 1537 CB LEU B 205 34.613 34.069 29.003 1.00 0.00 C ATOM 1538 CG LEU B 205 34.231 33.480 30.372 1.00 0.00 C ATOM 1539 CD1 LEU B 205 33.922 31.976 30.281 1.00 0.00 C ATOM 1540 CD2 LEU B 205 35.341 33.744 31.403 1.00 0.00 C ATOM 0 H LEU B 205 32.792 35.683 29.409 1.00 0.00 H new ATOM 0 HA LEU B 205 35.544 35.828 29.814 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.832 33.830 28.281 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.528 33.592 28.652 1.00 0.00 H new ATOM 0 HG LEU B 205 33.321 33.981 30.702 1.00 0.00 H new ATOM 0 HD11 LEU B 205 33.657 31.599 31.269 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.089 31.816 29.596 1.00 0.00 H new ATOM 0 HD13 LEU B 205 34.801 31.446 29.914 1.00 0.00 H new ATOM 0 HD21 LEU B 205 35.053 33.320 32.365 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.268 33.281 31.066 1.00 0.00 H new ATOM 0 HD23 LEU B 205 35.490 34.818 31.510 1.00 0.00 H new ATOM 1552 N LEU B 206 34.528 36.486 26.824 1.00 0.00 N ATOM 1553 CA LEU B 206 34.918 36.848 25.498 1.00 0.00 C ATOM 1554 C LEU B 206 35.455 38.238 25.510 1.00 0.00 C ATOM 1555 O LEU B 206 36.174 38.669 24.609 1.00 0.00 O ATOM 1556 CB LEU B 206 33.762 36.542 24.531 1.00 0.00 C ATOM 1557 CG LEU B 206 33.033 35.222 24.828 1.00 0.00 C ATOM 1558 CD1 LEU B 206 32.116 34.789 23.671 1.00 0.00 C ATOM 1559 CD2 LEU B 206 33.936 34.031 25.190 1.00 0.00 C ATOM 0 H LEU B 206 33.526 36.566 26.996 1.00 0.00 H new ATOM 0 HA LEU B 206 35.745 36.250 25.115 1.00 0.00 H new ATOM 0 HB2 LEU B 206 33.042 37.360 24.571 1.00 0.00 H new ATOM 0 HB3 LEU B 206 34.152 36.509 23.514 1.00 0.00 H new ATOM 0 HG LEU B 206 32.451 35.468 25.716 1.00 0.00 H new ATOM 0 HD11 LEU B 206 31.623 33.851 23.929 1.00 0.00 H new ATOM 0 HD12 LEU B 206 31.364 35.558 23.496 1.00 0.00 H new ATOM 0 HD13 LEU B 206 32.710 34.650 22.768 1.00 0.00 H new ATOM 0 HD21 LEU B 206 33.320 33.152 25.380 1.00 0.00 H new ATOM 0 HD22 LEU B 206 34.616 33.826 24.363 1.00 0.00 H new ATOM 0 HD23 LEU B 206 34.513 34.270 26.084 1.00 0.00 H new ATOM 1571 N GLU B 207 35.108 39.003 26.561 1.00 0.00 N ATOM 1572 CA GLU B 207 35.667 40.287 26.845 1.00 0.00 C ATOM 1573 C GLU B 207 36.958 40.266 27.587 1.00 0.00 C ATOM 1574 O GLU B 207 37.916 40.941 27.215 1.00 0.00 O ATOM 1575 CB GLU B 207 34.594 41.313 27.246 1.00 0.00 C ATOM 1576 CG GLU B 207 34.204 41.533 28.710 1.00 0.00 C ATOM 1577 CD GLU B 207 33.176 42.656 28.738 1.00 0.00 C ATOM 1578 OE1 GLU B 207 32.227 42.638 27.912 1.00 0.00 O ATOM 1579 OE2 GLU B 207 33.347 43.623 29.527 1.00 0.00 O ATOM 0 H GLU B 207 34.407 38.713 27.242 1.00 0.00 H new ATOM 0 HA GLU B 207 36.039 40.698 25.907 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.917 42.278 26.856 1.00 0.00 H new ATOM 0 HB3 GLU B 207 33.683 41.043 26.713 1.00 0.00 H new ATOM 0 HG2 GLU B 207 33.789 40.621 29.139 1.00 0.00 H new ATOM 0 HG3 GLU B 207 35.078 41.796 29.306 1.00 0.00 H new ATOM 1586 N ALA B 208 37.074 39.425 28.631 1.00 0.00 N ATOM 1587 CA ALA B 208 38.281 39.180 29.357 1.00 0.00 C ATOM 1588 C ALA B 208 39.389 38.637 28.520 1.00 0.00 C ATOM 1589 O ALA B 208 40.532 39.075 28.633 1.00 0.00 O ATOM 1590 CB ALA B 208 38.015 38.219 30.528 1.00 0.00 C ATOM 0 H ALA B 208 36.283 38.888 28.987 1.00 0.00 H new ATOM 0 HA ALA B 208 38.607 40.153 29.723 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.943 38.042 31.071 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.279 38.660 31.201 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.634 37.273 30.143 1.00 0.00 H new ATOM 1596 N ALA B 209 39.096 37.692 27.609 1.00 0.00 N ATOM 1597 CA ALA B 209 40.031 37.132 26.683 1.00 0.00 C ATOM 1598 C ALA B 209 40.634 38.119 25.745 1.00 0.00 C ATOM 1599 O ALA B 209 41.833 38.089 25.472 1.00 0.00 O ATOM 1600 CB ALA B 209 39.334 36.025 25.872 1.00 0.00 C ATOM 0 H ALA B 209 38.160 37.299 27.514 1.00 0.00 H new ATOM 0 HA ALA B 209 40.854 36.739 27.280 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.041 35.593 25.164 1.00 0.00 H new ATOM 0 HB2 ALA B 209 38.978 35.248 26.548 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.489 36.449 25.329 1.00 0.00 H new ATOM 1606 N ASP B 210 39.814 39.063 25.248 1.00 0.00 N ATOM 1607 CA ASP B 210 40.147 40.147 24.376 1.00 0.00 C ATOM 1608 C ASP B 210 41.084 41.120 25.008 1.00 0.00 C ATOM 1609 O ASP B 210 42.053 41.583 24.410 1.00 0.00 O ATOM 1610 CB ASP B 210 38.834 40.860 24.011 1.00 0.00 C ATOM 1611 CG ASP B 210 38.572 40.860 22.512 1.00 0.00 C ATOM 1612 OD1 ASP B 210 38.652 39.775 21.877 1.00 0.00 O ATOM 1613 OD2 ASP B 210 38.275 41.942 21.938 1.00 0.00 O ATOM 0 H ASP B 210 38.821 39.065 25.481 1.00 0.00 H new ATOM 0 HA ASP B 210 40.654 39.751 23.496 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.004 40.372 24.522 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.870 41.888 24.371 1.00 0.00 H new ATOM 1618 N TYR B 211 40.814 41.464 26.280 1.00 0.00 N ATOM 1619 CA TYR B 211 41.626 42.276 27.131 1.00 0.00 C ATOM 1620 C TYR B 211 42.943 41.645 27.429 1.00 0.00 C ATOM 1621 O TYR B 211 43.991 42.279 27.315 1.00 0.00 O ATOM 1622 CB TYR B 211 40.775 42.582 28.375 1.00 0.00 C ATOM 1623 CG TYR B 211 41.528 43.053 29.572 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.906 44.366 29.729 1.00 0.00 C ATOM 1625 CD2 TYR B 211 41.866 42.131 30.534 1.00 0.00 C ATOM 1626 CE1 TYR B 211 42.611 44.756 30.844 1.00 0.00 C ATOM 1627 CE2 TYR B 211 42.545 42.523 31.664 1.00 0.00 C ATOM 1628 CZ TYR B 211 42.926 43.836 31.815 1.00 0.00 C ATOM 1629 OH TYR B 211 43.673 44.213 32.951 1.00 0.00 O ATOM 0 H TYR B 211 39.963 41.150 26.747 1.00 0.00 H new ATOM 0 HA TYR B 211 41.906 43.210 26.644 1.00 0.00 H new ATOM 0 HB2 TYR B 211 40.037 43.340 28.111 1.00 0.00 H new ATOM 0 HB3 TYR B 211 40.224 41.682 28.646 1.00 0.00 H new ATOM 0 HD1 TYR B 211 41.648 45.094 28.974 1.00 0.00 H new ATOM 0 HD2 TYR B 211 41.597 41.093 30.402 1.00 0.00 H new ATOM 0 HE1 TYR B 211 42.917 45.786 30.956 1.00 0.00 H new ATOM 0 HE2 TYR B 211 42.779 41.801 32.432 1.00 0.00 H new ATOM 0 HH TYR B 211 43.801 43.434 33.532 1.00 0.00 H new ATOM 1639 N LEU B 212 42.975 40.355 27.810 1.00 0.00 N ATOM 1640 CA LEU B 212 44.172 39.659 28.162 1.00 0.00 C ATOM 1641 C LEU B 212 45.122 39.405 27.042 1.00 0.00 C ATOM 1642 O LEU B 212 46.328 39.287 27.260 1.00 0.00 O ATOM 1643 CB LEU B 212 43.832 38.373 28.934 1.00 0.00 C ATOM 1644 CG LEU B 212 43.866 38.549 30.461 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.141 37.345 31.085 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.286 38.687 31.037 1.00 0.00 C ATOM 0 H LEU B 212 42.137 39.777 27.875 1.00 0.00 H new ATOM 0 HA LEU B 212 44.724 40.339 28.811 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.840 38.032 28.637 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.536 37.591 28.650 1.00 0.00 H new ATOM 0 HG LEU B 212 43.368 39.486 30.708 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.147 37.439 32.171 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.111 37.316 30.729 1.00 0.00 H new ATOM 0 HD13 LEU B 212 43.650 36.425 30.798 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.230 38.808 32.119 1.00 0.00 H new ATOM 0 HD22 LEU B 212 45.863 37.793 30.801 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.773 39.559 30.600 1.00 0.00 H new ATOM 1658 N GLU B 213 44.635 39.386 25.789 1.00 0.00 N ATOM 1659 CA GLU B 213 45.428 39.482 24.602 1.00 0.00 C ATOM 1660 C GLU B 213 46.179 40.765 24.506 1.00 0.00 C ATOM 1661 O GLU B 213 47.379 40.811 24.241 1.00 0.00 O ATOM 1662 CB GLU B 213 44.556 39.324 23.345 1.00 0.00 C ATOM 1663 CG GLU B 213 44.426 37.877 22.863 1.00 0.00 C ATOM 1664 CD GLU B 213 45.715 37.377 22.227 1.00 0.00 C ATOM 1665 OE1 GLU B 213 46.581 36.827 22.960 1.00 0.00 O ATOM 1666 OE2 GLU B 213 45.893 37.525 20.989 1.00 0.00 O ATOM 0 H GLU B 213 43.638 39.299 25.593 1.00 0.00 H new ATOM 0 HA GLU B 213 46.153 38.670 24.663 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.561 39.719 23.552 1.00 0.00 H new ATOM 0 HB3 GLU B 213 44.979 39.928 22.542 1.00 0.00 H new ATOM 0 HG2 GLU B 213 44.163 37.236 23.704 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.613 37.806 22.141 1.00 0.00 H new ATOM 1673 N ARG B 214 45.488 41.891 24.762 1.00 0.00 N ATOM 1674 CA ARG B 214 46.040 43.209 24.704 1.00 0.00 C ATOM 1675 C ARG B 214 47.028 43.498 25.781 1.00 0.00 C ATOM 1676 O ARG B 214 47.958 44.278 25.586 1.00 0.00 O ATOM 1677 CB ARG B 214 44.907 44.248 24.660 1.00 0.00 C ATOM 1678 CG ARG B 214 44.187 44.197 23.312 1.00 0.00 C ATOM 1679 CD ARG B 214 42.869 44.974 23.273 1.00 0.00 C ATOM 1680 NE ARG B 214 42.391 44.938 21.862 1.00 0.00 N ATOM 1681 CZ ARG B 214 41.738 43.896 21.270 1.00 0.00 C ATOM 1682 NH1 ARG B 214 41.450 42.726 21.911 1.00 0.00 N ATOM 1683 NH2 ARG B 214 41.329 44.049 19.976 1.00 0.00 N ATOM 0 H ARG B 214 44.501 41.882 25.021 1.00 0.00 H new ATOM 0 HA ARG B 214 46.617 43.274 23.781 1.00 0.00 H new ATOM 0 HB2 ARG B 214 44.198 44.056 25.465 1.00 0.00 H new ATOM 0 HB3 ARG B 214 45.314 45.246 24.824 1.00 0.00 H new ATOM 0 HG2 ARG B 214 44.851 44.592 22.543 1.00 0.00 H new ATOM 0 HG3 ARG B 214 43.989 43.156 23.058 1.00 0.00 H new ATOM 0 HD2 ARG B 214 42.135 44.524 23.942 1.00 0.00 H new ATOM 0 HD3 ARG B 214 43.016 46.002 23.606 1.00 0.00 H new ATOM 0 HE ARG B 214 42.567 45.763 21.289 1.00 0.00 H new ATOM 0 HH11 ARG B 214 41.726 42.596 22.884 1.00 0.00 H new ATOM 0 HH12 ARG B 214 40.959 41.981 21.417 1.00 0.00 H new ATOM 0 HH21 ARG B 214 41.514 44.922 19.482 1.00 0.00 H new ATOM 0 HH22 ARG B 214 40.838 43.290 19.503 1.00 0.00 H new ATOM 1697 N ARG B 215 46.933 42.822 26.941 1.00 0.00 N ATOM 1698 CA ARG B 215 47.935 42.844 27.962 1.00 0.00 C ATOM 1699 C ARG B 215 49.293 42.417 27.523 1.00 0.00 C ATOM 1700 O ARG B 215 50.292 42.978 27.973 1.00 0.00 O ATOM 1701 CB ARG B 215 47.530 42.030 29.202 1.00 0.00 C ATOM 1702 CG ARG B 215 46.340 42.605 29.973 1.00 0.00 C ATOM 1703 CD ARG B 215 46.456 42.448 31.490 1.00 0.00 C ATOM 1704 NE ARG B 215 47.554 43.373 31.887 1.00 0.00 N ATOM 1705 CZ ARG B 215 48.111 43.472 33.130 1.00 0.00 C ATOM 1706 NH1 ARG B 215 47.566 42.897 34.242 1.00 0.00 N ATOM 1707 NH2 ARG B 215 49.250 44.210 33.276 1.00 0.00 N ATOM 0 H ARG B 215 46.130 42.239 27.176 1.00 0.00 H new ATOM 0 HA ARG B 215 48.001 43.901 28.219 1.00 0.00 H new ATOM 0 HB2 ARG B 215 47.290 41.013 28.892 1.00 0.00 H new ATOM 0 HB3 ARG B 215 48.386 41.964 29.874 1.00 0.00 H new ATOM 0 HG2 ARG B 215 46.240 43.664 29.733 1.00 0.00 H new ATOM 0 HG3 ARG B 215 45.428 42.114 29.635 1.00 0.00 H new ATOM 0 HD2 ARG B 215 45.521 42.708 31.987 1.00 0.00 H new ATOM 0 HD3 ARG B 215 46.688 41.419 31.764 1.00 0.00 H new ATOM 0 HE ARG B 215 47.924 43.989 31.164 1.00 0.00 H new ATOM 0 HH11 ARG B 215 46.701 42.362 34.167 1.00 0.00 H new ATOM 0 HH12 ARG B 215 48.024 43.002 35.147 1.00 0.00 H new ATOM 0 HH21 ARG B 215 49.666 44.672 32.467 1.00 0.00 H new ATOM 0 HH22 ARG B 215 49.686 44.299 34.194 1.00 0.00 H new