USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0.779 (180deg=0.528) USER MOD Single : A 2 GLN : amide:sc= 1.23 K(o=1.2,f=-0.3) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.117) USER MOD Single : A 7 THR OG1 : rot 56:sc= 1.12 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.08 (180deg=0.656) 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= 0.0367 USER MOD Single : A 25 ASN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 33 LYS NZ :NH3+ -127:sc= -0.675 (180deg=-0.701) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= 1.48 K(o=1.5,f=-0.88) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 55 THR OG1 : rot -82:sc= 1.78 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 154:sc= 0.248 USER MOD Single : A 60 ASN : amide:sc= -0.0979 X(o=-0.098,f=-0.25) USER MOD Single : A 62 GLN : amide:sc= 0.845 K(o=0.84,f=-5.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 89:sc= 1.1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.715 33.946 20.476 1.00 0.00 N ATOM 2 CA MET A 1 13.244 33.768 19.112 1.00 0.00 C ATOM 3 C MET A 1 14.687 33.252 19.011 1.00 0.00 C ATOM 4 O MET A 1 15.034 32.516 18.085 1.00 0.00 O ATOM 5 CB MET A 1 13.150 35.104 18.370 1.00 0.00 C ATOM 6 CG MET A 1 13.647 35.152 16.926 1.00 0.00 C ATOM 7 SD MET A 1 12.989 36.532 15.950 1.00 0.00 S ATOM 8 CE MET A 1 13.624 36.157 14.290 1.00 0.00 C ATOM 0 H1 MET A 1 11.676 33.962 20.446 1.00 0.00 H new ATOM 0 H2 MET A 1 13.032 33.158 21.077 1.00 0.00 H new ATOM 0 H3 MET A 1 13.064 34.843 20.869 1.00 0.00 H new ATOM 0 HA MET A 1 12.627 32.987 18.667 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.106 35.418 18.376 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.709 35.845 18.942 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.735 35.214 16.931 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.383 34.216 16.433 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.294 36.926 13.592 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.713 36.132 14.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.246 35.187 13.966 1.00 0.00 H new ATOM 20 N GLN A 2 15.450 33.516 20.063 1.00 0.00 N ATOM 21 CA GLN A 2 16.865 33.199 20.198 1.00 0.00 C ATOM 22 C GLN A 2 17.133 32.040 21.148 1.00 0.00 C ATOM 23 O GLN A 2 16.228 31.610 21.860 1.00 0.00 O ATOM 24 CB GLN A 2 17.466 34.463 20.821 1.00 0.00 C ATOM 25 CG GLN A 2 17.545 35.652 19.863 1.00 0.00 C ATOM 26 CD GLN A 2 18.092 36.959 20.409 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.941 37.266 21.589 1.00 0.00 O ATOM 28 NE2 GLN A 2 18.721 37.790 19.574 1.00 0.00 N ATOM 0 H GLN A 2 15.078 33.983 20.890 1.00 0.00 H new ATOM 0 HA GLN A 2 17.280 32.909 19.233 1.00 0.00 H new ATOM 0 HB2 GLN A 2 16.869 34.747 21.688 1.00 0.00 H new ATOM 0 HB3 GLN A 2 18.468 34.235 21.184 1.00 0.00 H new ATOM 0 HG2 GLN A 2 18.161 35.359 19.013 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.543 35.841 19.479 1.00 0.00 H new ATOM 0 HE21 GLN A 2 18.845 37.532 18.595 1.00 0.00 H new ATOM 0 HE22 GLN A 2 19.078 38.683 19.915 1.00 0.00 H new ATOM 37 N ILE A 3 18.329 31.464 21.154 1.00 0.00 N ATOM 38 CA ILE A 3 18.976 30.776 22.261 1.00 0.00 C ATOM 39 C ILE A 3 20.323 31.448 22.542 1.00 0.00 C ATOM 40 O ILE A 3 20.773 32.149 21.637 1.00 0.00 O ATOM 41 CB ILE A 3 19.106 29.281 21.974 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.803 28.962 20.653 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.774 28.530 22.034 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.352 27.535 20.559 1.00 0.00 C ATOM 0 H ILE A 3 18.916 31.467 20.320 1.00 0.00 H new ATOM 0 HA ILE A 3 18.365 30.855 23.160 1.00 0.00 H new ATOM 0 HB ILE A 3 19.741 28.926 22.786 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.099 29.123 19.836 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.624 29.665 20.510 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.942 27.474 21.820 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.342 28.635 23.029 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.089 28.945 21.295 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.831 27.392 19.590 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.082 27.373 21.352 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.534 26.823 20.668 1.00 0.00 H new ATOM 56 N PHE A 4 20.919 31.164 23.699 1.00 0.00 N ATOM 57 CA PHE A 4 22.113 31.847 24.172 1.00 0.00 C ATOM 58 C PHE A 4 23.339 30.929 24.199 1.00 0.00 C ATOM 59 O PHE A 4 23.328 29.875 24.840 1.00 0.00 O ATOM 60 CB PHE A 4 21.775 32.247 25.609 1.00 0.00 C ATOM 61 CG PHE A 4 20.795 33.392 25.632 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.187 34.716 25.381 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.481 33.223 26.078 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.264 35.767 25.384 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.586 34.299 26.168 1.00 0.00 C ATOM 66 CZ PHE A 4 18.952 35.607 25.840 1.00 0.00 C ATOM 0 H PHE A 4 20.580 30.445 24.338 1.00 0.00 H new ATOM 0 HA PHE A 4 22.363 32.682 23.518 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.355 31.393 26.139 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.686 32.532 26.135 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.227 34.929 25.181 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.146 32.236 26.361 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.576 36.736 25.022 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.577 34.110 26.503 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.268 36.438 25.932 1.00 0.00 H new ATOM 76 N VAL A 5 24.425 31.329 23.545 1.00 0.00 N ATOM 77 CA VAL A 5 25.701 30.654 23.493 1.00 0.00 C ATOM 78 C VAL A 5 26.485 31.390 24.582 1.00 0.00 C ATOM 79 O VAL A 5 27.094 32.435 24.385 1.00 0.00 O ATOM 80 CB VAL A 5 26.334 30.689 22.098 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.801 30.263 22.142 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.574 29.728 21.194 1.00 0.00 C ATOM 0 H VAL A 5 24.429 32.193 23.003 1.00 0.00 H new ATOM 0 HA VAL A 5 25.655 29.580 23.673 1.00 0.00 H new ATOM 0 HB VAL A 5 26.282 31.710 21.720 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.221 30.299 21.137 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.357 30.939 22.791 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.873 29.247 22.529 1.00 0.00 H new ATOM 0 HG21 VAL A 5 26.014 29.742 20.197 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.634 28.719 21.603 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.529 30.034 21.134 1.00 0.00 H new ATOM 92 N LYS A 6 26.430 30.875 25.807 1.00 0.00 N ATOM 93 CA LYS A 6 27.265 31.217 26.940 1.00 0.00 C ATOM 94 C LYS A 6 28.713 30.780 26.761 1.00 0.00 C ATOM 95 O LYS A 6 28.853 29.751 26.101 1.00 0.00 O ATOM 96 CB LYS A 6 26.736 30.453 28.147 1.00 0.00 C ATOM 97 CG LYS A 6 27.300 30.905 29.496 1.00 0.00 C ATOM 98 CD LYS A 6 26.456 30.245 30.590 1.00 0.00 C ATOM 99 CE LYS A 6 27.207 30.232 31.914 1.00 0.00 C ATOM 100 NZ LYS A 6 27.583 31.598 32.319 1.00 0.00 N ATOM 0 H LYS A 6 25.748 30.155 26.045 1.00 0.00 H new ATOM 0 HA LYS A 6 27.237 32.301 27.054 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.651 30.551 28.173 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.958 29.394 28.014 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.346 30.615 29.591 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.261 31.991 29.584 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.515 30.783 30.705 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.206 29.225 30.298 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.585 29.778 32.685 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.102 29.616 31.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.876 31.596 33.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 28.371 31.931 31.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.768 32.233 32.199 1.00 0.00 H new ATOM 114 N THR A 7 29.773 31.442 27.223 1.00 0.00 N ATOM 115 CA THR A 7 31.104 30.880 27.197 1.00 0.00 C ATOM 116 C THR A 7 32.001 31.495 28.272 1.00 0.00 C ATOM 117 O THR A 7 31.565 32.497 28.845 1.00 0.00 O ATOM 118 CB THR A 7 31.637 31.010 25.770 1.00 0.00 C ATOM 119 OG1 THR A 7 32.838 30.302 25.560 1.00 0.00 O ATOM 120 CG2 THR A 7 31.761 32.420 25.198 1.00 0.00 C ATOM 0 H THR A 7 29.724 32.379 27.623 1.00 0.00 H new ATOM 0 HA THR A 7 31.087 29.821 27.454 1.00 0.00 H new ATOM 0 HB THR A 7 30.830 30.545 25.204 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.707 29.359 25.794 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.150 32.367 24.181 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.780 32.896 25.187 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.441 33.005 25.817 1.00 0.00 H new ATOM 128 N LEU A 8 33.199 30.962 28.486 1.00 0.00 N ATOM 129 CA LEU A 8 34.109 31.132 29.599 1.00 0.00 C ATOM 130 C LEU A 8 34.766 32.503 29.752 1.00 0.00 C ATOM 131 O LEU A 8 35.249 32.789 30.851 1.00 0.00 O ATOM 132 CB LEU A 8 35.225 30.091 29.540 1.00 0.00 C ATOM 133 CG LEU A 8 34.683 28.677 29.419 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.968 27.847 29.427 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.829 28.210 30.601 1.00 0.00 C ATOM 0 H LEU A 8 33.597 30.325 27.796 1.00 0.00 H new ATOM 0 HA LEU A 8 33.458 31.012 30.465 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.874 30.304 28.690 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.839 30.168 30.437 1.00 0.00 H new ATOM 0 HG LEU A 8 34.033 28.592 28.548 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.718 26.789 29.344 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.595 28.139 28.585 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.508 28.021 30.358 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.488 27.190 30.423 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.424 28.240 31.514 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.966 28.867 30.709 1.00 0.00 H new ATOM 147 N THR A 9 34.759 33.319 28.707 1.00 0.00 N ATOM 148 CA THR A 9 35.225 34.694 28.751 1.00 0.00 C ATOM 149 C THR A 9 34.288 35.671 29.463 1.00 0.00 C ATOM 150 O THR A 9 34.616 36.850 29.537 1.00 0.00 O ATOM 151 CB THR A 9 35.507 35.194 27.337 1.00 0.00 C ATOM 152 OG1 THR A 9 34.269 35.329 26.683 1.00 0.00 O ATOM 153 CG2 THR A 9 36.414 34.362 26.426 1.00 0.00 C ATOM 0 H THR A 9 34.422 33.036 27.787 1.00 0.00 H new ATOM 0 HA THR A 9 36.136 34.670 29.349 1.00 0.00 H new ATOM 0 HB THR A 9 36.068 36.115 27.495 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.415 35.651 25.769 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.511 34.856 25.459 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.398 34.264 26.884 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.979 33.372 26.285 1.00 0.00 H new ATOM 161 N GLY A 10 33.098 35.208 29.818 1.00 0.00 N ATOM 162 CA GLY A 10 32.077 36.001 30.486 1.00 0.00 C ATOM 163 C GLY A 10 30.935 36.516 29.619 1.00 0.00 C ATOM 164 O GLY A 10 29.878 36.865 30.152 1.00 0.00 O ATOM 0 H GLY A 10 32.809 34.245 29.645 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.650 35.400 31.289 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.563 36.858 30.953 1.00 0.00 H new ATOM 168 N LYS A 11 31.208 36.562 28.321 1.00 0.00 N ATOM 169 CA LYS A 11 30.452 37.042 27.184 1.00 0.00 C ATOM 170 C LYS A 11 29.422 35.942 26.922 1.00 0.00 C ATOM 171 O LYS A 11 29.608 34.749 27.147 1.00 0.00 O ATOM 172 CB LYS A 11 31.467 37.137 26.042 1.00 0.00 C ATOM 173 CG LYS A 11 30.802 37.820 24.856 1.00 0.00 C ATOM 174 CD LYS A 11 31.902 38.023 23.814 1.00 0.00 C ATOM 175 CE LYS A 11 31.639 39.165 22.831 1.00 0.00 C ATOM 176 NZ LYS A 11 32.732 39.171 21.850 1.00 0.00 N ATOM 0 H LYS A 11 32.108 36.205 28.001 1.00 0.00 H new ATOM 0 HA LYS A 11 29.954 38.003 27.312 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.343 37.701 26.361 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.813 36.143 25.760 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.994 37.207 24.456 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.363 38.773 25.151 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.843 38.213 24.330 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.028 37.098 23.252 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.679 39.028 22.333 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.592 40.119 23.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.380 39.532 20.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.501 39.783 22.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.090 38.203 21.723 1.00 0.00 H new ATOM 190 N THR A 12 28.279 36.320 26.344 1.00 0.00 N ATOM 191 CA THR A 12 27.324 35.474 25.670 1.00 0.00 C ATOM 192 C THR A 12 27.078 35.913 24.223 1.00 0.00 C ATOM 193 O THR A 12 27.207 37.104 23.974 1.00 0.00 O ATOM 194 CB THR A 12 26.150 35.451 26.649 1.00 0.00 C ATOM 195 OG1 THR A 12 26.440 34.871 27.910 1.00 0.00 O ATOM 196 CG2 THR A 12 24.869 34.760 26.196 1.00 0.00 C ATOM 0 H THR A 12 27.987 37.297 26.341 1.00 0.00 H new ATOM 0 HA THR A 12 27.642 34.450 25.475 1.00 0.00 H new ATOM 0 HB THR A 12 25.982 36.526 26.710 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.639 34.898 28.474 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.123 34.820 26.989 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.488 35.251 25.301 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.079 33.714 25.974 1.00 0.00 H new ATOM 204 N ILE A 13 26.795 34.993 23.301 1.00 0.00 N ATOM 205 CA ILE A 13 26.556 35.099 21.871 1.00 0.00 C ATOM 206 C ILE A 13 25.160 34.552 21.610 1.00 0.00 C ATOM 207 O ILE A 13 24.696 33.719 22.396 1.00 0.00 O ATOM 208 CB ILE A 13 27.656 34.416 21.057 1.00 0.00 C ATOM 209 CG1 ILE A 13 29.090 34.863 21.344 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.472 34.393 19.534 1.00 0.00 C ATOM 211 CD1 ILE A 13 30.093 33.711 21.418 1.00 0.00 C ATOM 0 H ILE A 13 26.719 34.018 23.589 1.00 0.00 H new ATOM 0 HA ILE A 13 26.596 36.137 21.540 1.00 0.00 H new ATOM 0 HB ILE A 13 27.518 33.404 21.438 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.406 35.558 20.566 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.108 35.409 22.287 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.317 33.882 19.073 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.550 33.866 19.287 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.417 35.415 19.159 1.00 0.00 H new ATOM 0 HD11 ILE A 13 31.087 34.107 21.624 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.802 33.026 22.215 1.00 0.00 H new ATOM 0 HD13 ILE A 13 30.105 33.177 20.468 1.00 0.00 H new ATOM 223 N THR A 14 24.426 34.925 20.564 1.00 0.00 N ATOM 224 CA THR A 14 23.003 34.715 20.343 1.00 0.00 C ATOM 225 C THR A 14 22.758 34.058 18.986 1.00 0.00 C ATOM 226 O THR A 14 23.420 34.499 18.034 1.00 0.00 O ATOM 227 CB THR A 14 22.267 36.039 20.516 1.00 0.00 C ATOM 228 OG1 THR A 14 22.871 37.228 20.050 1.00 0.00 O ATOM 229 CG2 THR A 14 21.930 36.295 21.983 1.00 0.00 C ATOM 0 H THR A 14 24.852 35.425 19.784 1.00 0.00 H new ATOM 0 HA THR A 14 22.605 34.022 21.084 1.00 0.00 H new ATOM 0 HB THR A 14 21.407 35.863 19.870 1.00 0.00 H new ATOM 0 HG1 THR A 14 22.279 37.988 20.230 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.406 37.246 22.075 1.00 0.00 H new ATOM 0 HG22 THR A 14 21.294 35.492 22.356 1.00 0.00 H new ATOM 0 HG23 THR A 14 22.850 36.330 22.567 1.00 0.00 H new ATOM 237 N LEU A 15 21.881 33.062 18.942 1.00 0.00 N ATOM 238 CA LEU A 15 21.544 32.334 17.737 1.00 0.00 C ATOM 239 C LEU A 15 20.019 32.287 17.634 1.00 0.00 C ATOM 240 O LEU A 15 19.387 31.722 18.529 1.00 0.00 O ATOM 241 CB LEU A 15 22.204 30.958 17.744 1.00 0.00 C ATOM 242 CG LEU A 15 23.684 30.712 18.054 1.00 0.00 C ATOM 243 CD1 LEU A 15 23.924 29.200 18.059 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.563 31.354 16.971 1.00 0.00 C ATOM 0 H LEU A 15 21.376 32.735 19.766 1.00 0.00 H new ATOM 0 HA LEU A 15 21.928 32.831 16.846 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.641 30.356 18.457 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.026 30.532 16.757 1.00 0.00 H new ATOM 0 HG LEU A 15 23.937 31.149 19.020 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.973 28.999 18.278 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.299 28.735 18.821 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.672 28.788 17.082 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.613 31.174 17.201 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.323 30.917 16.002 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.377 32.428 16.941 1.00 0.00 H new ATOM 256 N GLU A 16 19.475 32.888 16.578 1.00 0.00 N ATOM 257 CA GLU A 16 18.102 32.802 16.137 1.00 0.00 C ATOM 258 C GLU A 16 18.039 31.624 15.155 1.00 0.00 C ATOM 259 O GLU A 16 18.506 31.782 14.034 1.00 0.00 O ATOM 260 CB GLU A 16 17.728 34.129 15.471 1.00 0.00 C ATOM 261 CG GLU A 16 17.561 35.402 16.298 1.00 0.00 C ATOM 262 CD GLU A 16 18.759 36.336 16.323 1.00 0.00 C ATOM 263 OE1 GLU A 16 19.905 36.030 15.968 1.00 0.00 O ATOM 264 OE2 GLU A 16 18.567 37.426 16.917 1.00 0.00 O ATOM 0 H GLU A 16 20.031 33.490 15.970 1.00 0.00 H new ATOM 0 HA GLU A 16 17.398 32.634 16.952 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.489 34.334 14.718 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.790 33.967 14.940 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.703 35.953 15.913 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.324 35.118 17.323 1.00 0.00 H new ATOM 271 N VAL A 17 17.419 30.521 15.547 1.00 0.00 N ATOM 272 CA VAL A 17 17.300 29.178 15.011 1.00 0.00 C ATOM 273 C VAL A 17 15.848 28.710 15.170 1.00 0.00 C ATOM 274 O VAL A 17 15.056 29.231 15.951 1.00 0.00 O ATOM 275 CB VAL A 17 18.391 28.272 15.575 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.857 28.633 15.384 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.172 27.854 17.031 1.00 0.00 C ATOM 0 H VAL A 17 16.888 30.566 16.417 1.00 0.00 H new ATOM 0 HA VAL A 17 17.491 29.144 13.938 1.00 0.00 H new ATOM 0 HB VAL A 17 18.233 27.437 14.892 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.483 27.873 15.852 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.083 28.684 14.319 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.056 29.601 15.844 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.992 27.212 17.353 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.137 28.741 17.663 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.231 27.310 17.116 1.00 0.00 H new ATOM 287 N GLU A 18 15.515 27.684 14.387 1.00 0.00 N ATOM 288 CA GLU A 18 14.305 26.906 14.292 1.00 0.00 C ATOM 289 C GLU A 18 14.626 25.419 14.434 1.00 0.00 C ATOM 290 O GLU A 18 15.709 25.012 14.025 1.00 0.00 O ATOM 291 CB GLU A 18 13.630 27.346 13.000 1.00 0.00 C ATOM 292 CG GLU A 18 12.822 28.625 13.155 1.00 0.00 C ATOM 293 CD GLU A 18 11.623 28.553 14.096 1.00 0.00 C ATOM 294 OE1 GLU A 18 10.754 27.671 13.913 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.660 29.424 15.001 1.00 0.00 O ATOM 0 H GLU A 18 16.197 27.340 13.711 1.00 0.00 H new ATOM 0 HA GLU A 18 13.594 27.076 15.101 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.390 27.494 12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.974 26.549 12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.489 29.411 13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.467 28.928 12.170 1.00 0.00 H new ATOM 302 N PRO A 19 13.688 24.613 14.923 1.00 0.00 N ATOM 303 CA PRO A 19 13.873 23.240 15.372 1.00 0.00 C ATOM 304 C PRO A 19 14.667 22.364 14.402 1.00 0.00 C ATOM 305 O PRO A 19 15.544 21.614 14.822 1.00 0.00 O ATOM 306 CB PRO A 19 12.453 22.744 15.657 1.00 0.00 C ATOM 307 CG PRO A 19 11.666 23.955 16.143 1.00 0.00 C ATOM 308 CD PRO A 19 12.386 25.068 15.387 1.00 0.00 C ATOM 0 HA PRO A 19 14.502 23.186 16.261 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.001 22.322 14.759 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.460 21.957 16.411 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.609 23.894 15.885 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.724 24.082 17.224 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.782 25.387 14.537 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.508 25.936 16.035 1.00 0.00 H new ATOM 316 N SER A 20 14.276 22.402 13.128 1.00 0.00 N ATOM 317 CA SER A 20 14.844 21.607 12.063 1.00 0.00 C ATOM 318 C SER A 20 16.323 21.781 11.712 1.00 0.00 C ATOM 319 O SER A 20 16.906 21.053 10.916 1.00 0.00 O ATOM 320 CB SER A 20 14.075 21.689 10.737 1.00 0.00 C ATOM 321 OG SER A 20 12.675 21.719 10.898 1.00 0.00 O ATOM 0 H SER A 20 13.526 23.014 12.808 1.00 0.00 H new ATOM 0 HA SER A 20 14.745 20.635 12.546 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.390 22.583 10.199 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.343 20.833 10.118 1.00 0.00 H new ATOM 0 HG SER A 20 12.246 21.773 10.019 1.00 0.00 H new ATOM 327 N ASP A 21 16.889 22.883 12.198 1.00 0.00 N ATOM 328 CA ASP A 21 18.324 23.061 12.105 1.00 0.00 C ATOM 329 C ASP A 21 19.108 21.957 12.812 1.00 0.00 C ATOM 330 O ASP A 21 19.029 21.853 14.029 1.00 0.00 O ATOM 331 CB ASP A 21 18.631 24.448 12.672 1.00 0.00 C ATOM 332 CG ASP A 21 18.392 25.590 11.704 1.00 0.00 C ATOM 333 OD1 ASP A 21 19.222 25.790 10.788 1.00 0.00 O ATOM 334 OD2 ASP A 21 17.295 26.203 11.605 1.00 0.00 O ATOM 0 H ASP A 21 16.385 23.646 12.649 1.00 0.00 H new ATOM 0 HA ASP A 21 18.644 22.990 11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.019 24.607 13.560 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.672 24.473 12.994 1.00 0.00 H new ATOM 339 N THR A 22 19.935 21.269 12.022 1.00 0.00 N ATOM 340 CA THR A 22 21.082 20.410 12.226 1.00 0.00 C ATOM 341 C THR A 22 22.248 21.212 12.806 1.00 0.00 C ATOM 342 O THR A 22 22.533 22.339 12.402 1.00 0.00 O ATOM 343 CB THR A 22 21.370 19.882 10.823 1.00 0.00 C ATOM 344 OG1 THR A 22 21.613 20.966 9.953 1.00 0.00 O ATOM 345 CG2 THR A 22 20.234 19.008 10.293 1.00 0.00 C ATOM 0 H THR A 22 19.764 21.326 11.018 1.00 0.00 H new ATOM 0 HA THR A 22 20.916 19.602 12.939 1.00 0.00 H new ATOM 0 HB THR A 22 22.256 19.250 10.875 1.00 0.00 H new ATOM 0 HG1 THR A 22 21.800 20.627 9.053 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.483 18.655 9.292 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.093 18.153 10.955 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.314 19.591 10.253 1.00 0.00 H new ATOM 353 N ILE A 23 22.919 20.636 13.802 1.00 0.00 N ATOM 354 CA ILE A 23 23.979 21.262 14.560 1.00 0.00 C ATOM 355 C ILE A 23 25.185 21.698 13.725 1.00 0.00 C ATOM 356 O ILE A 23 25.718 22.748 14.092 1.00 0.00 O ATOM 357 CB ILE A 23 24.327 20.248 15.655 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.206 19.986 16.667 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.561 20.570 16.495 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.711 21.243 17.365 1.00 0.00 C ATOM 0 H ILE A 23 22.725 19.683 14.108 1.00 0.00 H new ATOM 0 HA ILE A 23 23.648 22.213 14.977 1.00 0.00 H new ATOM 0 HB ILE A 23 24.515 19.371 15.035 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.369 19.511 16.155 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.563 19.280 17.417 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.711 19.786 17.237 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.436 20.630 15.848 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.418 21.525 17.001 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.919 20.982 18.066 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.536 21.708 17.906 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.324 21.942 16.624 1.00 0.00 H new ATOM 372 N GLU A 24 25.531 21.007 12.638 1.00 0.00 N ATOM 373 CA GLU A 24 26.496 21.368 11.618 1.00 0.00 C ATOM 374 C GLU A 24 26.346 22.784 11.070 1.00 0.00 C ATOM 375 O GLU A 24 27.350 23.470 10.857 1.00 0.00 O ATOM 376 CB GLU A 24 26.582 20.401 10.440 1.00 0.00 C ATOM 377 CG GLU A 24 25.399 20.316 9.480 1.00 0.00 C ATOM 378 CD GLU A 24 25.350 18.952 8.791 1.00 0.00 C ATOM 379 OE1 GLU A 24 25.702 17.930 9.411 1.00 0.00 O ATOM 380 OE2 GLU A 24 25.023 19.020 7.586 1.00 0.00 O ATOM 0 H GLU A 24 25.102 20.103 12.439 1.00 0.00 H new ATOM 0 HA GLU A 24 27.428 21.308 12.181 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.464 20.667 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.755 19.403 10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 24 24.471 20.486 10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 24 25.477 21.104 8.730 1.00 0.00 H new ATOM 387 N ASN A 25 25.090 23.203 10.955 1.00 0.00 N ATOM 388 CA ASN A 25 24.665 24.430 10.336 1.00 0.00 C ATOM 389 C ASN A 25 24.801 25.572 11.350 1.00 0.00 C ATOM 390 O ASN A 25 25.072 26.714 10.982 1.00 0.00 O ATOM 391 CB ASN A 25 23.192 24.345 9.909 1.00 0.00 C ATOM 392 CG ASN A 25 22.652 25.290 8.845 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.140 25.339 7.722 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.529 25.959 9.106 1.00 0.00 N ATOM 0 H ASN A 25 24.307 22.657 11.315 1.00 0.00 H new ATOM 0 HA ASN A 25 25.286 24.607 9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.014 23.328 9.560 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.586 24.485 10.804 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.080 26.508 8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.118 25.922 10.039 1.00 0.00 H new ATOM 401 N VAL A 26 24.451 25.233 12.585 1.00 0.00 N ATOM 402 CA VAL A 26 24.612 26.048 13.776 1.00 0.00 C ATOM 403 C VAL A 26 26.051 26.290 14.222 1.00 0.00 C ATOM 404 O VAL A 26 26.279 27.464 14.485 1.00 0.00 O ATOM 405 CB VAL A 26 23.604 25.579 14.829 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.424 26.582 15.971 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.190 25.335 14.315 1.00 0.00 C ATOM 0 H VAL A 26 24.023 24.330 12.790 1.00 0.00 H new ATOM 0 HA VAL A 26 24.358 27.082 13.543 1.00 0.00 H new ATOM 0 HB VAL A 26 24.056 24.642 15.155 1.00 0.00 H new ATOM 0 HG11 VAL A 26 22.698 26.194 16.685 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.379 26.737 16.473 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.067 27.530 15.569 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.555 25.006 15.138 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.791 26.258 13.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.211 24.565 13.543 1.00 0.00 H new ATOM 417 N LYS A 27 27.001 25.361 14.118 1.00 0.00 N ATOM 418 CA LYS A 27 28.400 25.438 14.449 1.00 0.00 C ATOM 419 C LYS A 27 29.006 26.570 13.609 1.00 0.00 C ATOM 420 O LYS A 27 29.763 27.370 14.163 1.00 0.00 O ATOM 421 CB LYS A 27 29.159 24.151 14.119 1.00 0.00 C ATOM 422 CG LYS A 27 28.814 22.868 14.866 1.00 0.00 C ATOM 423 CD LYS A 27 29.908 21.793 14.831 1.00 0.00 C ATOM 424 CE LYS A 27 29.510 20.431 15.400 1.00 0.00 C ATOM 425 NZ LYS A 27 30.714 19.568 15.354 1.00 0.00 N ATOM 0 H LYS A 27 26.768 24.436 13.757 1.00 0.00 H new ATOM 0 HA LYS A 27 28.487 25.607 15.522 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.026 23.956 13.055 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.220 24.347 14.277 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.599 23.115 15.906 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.900 22.451 14.442 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.226 21.657 13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.772 22.160 15.385 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.148 20.532 16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.700 19.992 14.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.482 18.628 15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.036 19.473 14.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.470 19.996 15.926 1.00 0.00 H new ATOM 439 N ALA A 28 28.695 26.587 12.314 1.00 0.00 N ATOM 440 CA ALA A 28 28.977 27.586 11.305 1.00 0.00 C ATOM 441 C ALA A 28 28.390 28.981 11.489 1.00 0.00 C ATOM 442 O ALA A 28 28.903 29.984 10.991 1.00 0.00 O ATOM 443 CB ALA A 28 28.573 26.985 9.960 1.00 0.00 C ATOM 0 H ALA A 28 28.179 25.806 11.908 1.00 0.00 H new ATOM 0 HA ALA A 28 30.043 27.799 11.384 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.768 27.706 9.166 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.151 26.079 9.778 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.511 26.741 9.975 1.00 0.00 H new ATOM 449 N LYS A 29 27.368 29.145 12.320 1.00 0.00 N ATOM 450 CA LYS A 29 26.986 30.423 12.890 1.00 0.00 C ATOM 451 C LYS A 29 28.023 30.977 13.875 1.00 0.00 C ATOM 452 O LYS A 29 28.383 32.151 13.817 1.00 0.00 O ATOM 453 CB LYS A 29 25.551 30.269 13.396 1.00 0.00 C ATOM 454 CG LYS A 29 24.476 31.248 12.936 1.00 0.00 C ATOM 455 CD LYS A 29 23.323 30.572 12.196 1.00 0.00 C ATOM 456 CE LYS A 29 23.891 29.925 10.925 1.00 0.00 C ATOM 457 NZ LYS A 29 22.880 29.419 9.988 1.00 0.00 N ATOM 0 H LYS A 29 26.771 28.374 12.620 1.00 0.00 H new ATOM 0 HA LYS A 29 26.985 31.219 12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.216 29.268 13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.584 30.310 14.485 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.082 31.778 13.803 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.929 31.995 12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.852 29.820 12.829 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.554 31.301 11.942 1.00 0.00 H new ATOM 0 HE2 LYS A 29 24.512 30.657 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 29 24.543 29.101 11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.352 29.000 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.301 28.695 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 22.270 30.203 9.679 1.00 0.00 H new ATOM 471 N ILE A 30 28.482 30.186 14.835 1.00 0.00 N ATOM 472 CA ILE A 30 29.297 30.556 15.984 1.00 0.00 C ATOM 473 C ILE A 30 30.671 30.958 15.458 1.00 0.00 C ATOM 474 O ILE A 30 31.237 31.941 15.936 1.00 0.00 O ATOM 475 CB ILE A 30 29.448 29.395 16.962 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.095 28.971 17.523 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.296 29.792 18.177 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.080 27.688 18.357 1.00 0.00 C ATOM 0 H ILE A 30 28.277 29.187 14.830 1.00 0.00 H new ATOM 0 HA ILE A 30 28.817 31.375 16.521 1.00 0.00 H new ATOM 0 HB ILE A 30 29.919 28.589 16.398 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.710 29.784 18.138 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.403 28.846 16.690 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.383 28.942 18.853 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.289 30.095 17.844 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.819 30.622 18.698 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.065 27.489 18.701 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.427 26.854 17.747 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.738 27.806 19.218 1.00 0.00 H new ATOM 490 N GLN A 31 31.200 30.275 14.451 1.00 0.00 N ATOM 491 CA GLN A 31 32.263 30.761 13.602 1.00 0.00 C ATOM 492 C GLN A 31 31.942 32.161 13.063 1.00 0.00 C ATOM 493 O GLN A 31 32.570 33.150 13.413 1.00 0.00 O ATOM 494 CB GLN A 31 32.668 29.848 12.444 1.00 0.00 C ATOM 495 CG GLN A 31 33.992 30.151 11.747 1.00 0.00 C ATOM 496 CD GLN A 31 34.498 29.089 10.782 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.888 28.053 10.537 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.686 29.347 10.238 1.00 0.00 N ATOM 0 H GLN A 31 30.886 29.338 14.200 1.00 0.00 H new ATOM 0 HA GLN A 31 33.128 30.788 14.264 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.710 28.825 12.819 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.877 29.881 11.695 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.886 31.088 11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.753 30.311 12.511 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.170 30.217 10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.111 28.675 9.600 1.00 0.00 H new ATOM 507 N ASP A 32 30.908 32.309 12.227 1.00 0.00 N ATOM 508 CA ASP A 32 30.401 33.501 11.594 1.00 0.00 C ATOM 509 C ASP A 32 30.324 34.713 12.519 1.00 0.00 C ATOM 510 O ASP A 32 30.742 35.793 12.091 1.00 0.00 O ATOM 511 CB ASP A 32 29.124 33.255 10.780 1.00 0.00 C ATOM 512 CG ASP A 32 28.534 34.457 10.064 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.149 34.926 9.095 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.489 34.930 10.572 1.00 0.00 O ATOM 0 H ASP A 32 30.354 31.496 11.957 1.00 0.00 H new ATOM 0 HA ASP A 32 31.159 33.777 10.860 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.336 32.486 10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.365 32.851 11.450 1.00 0.00 H new ATOM 519 N LYS A 33 29.953 34.560 13.792 1.00 0.00 N ATOM 520 CA LYS A 33 29.943 35.478 14.918 1.00 0.00 C ATOM 521 C LYS A 33 31.230 35.768 15.703 1.00 0.00 C ATOM 522 O LYS A 33 31.403 36.945 15.999 1.00 0.00 O ATOM 523 CB LYS A 33 28.875 34.944 15.858 1.00 0.00 C ATOM 524 CG LYS A 33 27.378 35.096 15.565 1.00 0.00 C ATOM 525 CD LYS A 33 26.987 36.552 15.819 1.00 0.00 C ATOM 526 CE LYS A 33 25.544 36.898 15.445 1.00 0.00 C ATOM 527 NZ LYS A 33 24.593 36.217 16.336 1.00 0.00 N ATOM 0 H LYS A 33 29.602 33.651 14.092 1.00 0.00 H new ATOM 0 HA LYS A 33 29.767 36.460 14.479 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.065 33.877 15.974 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.053 35.406 16.829 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.163 34.819 14.533 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.796 34.430 16.202 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.139 36.776 16.875 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.660 37.199 15.256 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.397 37.976 15.506 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.352 36.608 14.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.899 35.692 15.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.107 35.555 16.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.099 36.921 16.921 1.00 0.00 H new ATOM 541 N GLU A 34 32.005 34.754 16.057 1.00 0.00 N ATOM 542 CA GLU A 34 33.072 34.879 17.027 1.00 0.00 C ATOM 543 C GLU A 34 34.434 34.446 16.477 1.00 0.00 C ATOM 544 O GLU A 34 35.533 34.781 16.918 1.00 0.00 O ATOM 545 CB GLU A 34 32.726 34.258 18.375 1.00 0.00 C ATOM 546 CG GLU A 34 33.353 34.961 19.572 1.00 0.00 C ATOM 547 CD GLU A 34 33.020 36.402 19.935 1.00 0.00 C ATOM 548 OE1 GLU A 34 31.960 36.925 19.512 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.705 37.063 20.743 1.00 0.00 O ATOM 0 H GLU A 34 31.907 33.814 15.673 1.00 0.00 H new ATOM 0 HA GLU A 34 33.175 35.946 17.226 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.643 34.260 18.495 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.045 33.216 18.374 1.00 0.00 H new ATOM 0 HG2 GLU A 34 33.120 34.356 20.448 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.433 34.915 19.431 1.00 0.00 H new ATOM 556 N GLY A 35 34.404 33.651 15.410 1.00 0.00 N ATOM 557 CA GLY A 35 35.531 33.264 14.580 1.00 0.00 C ATOM 558 C GLY A 35 36.301 32.029 15.033 1.00 0.00 C ATOM 559 O GLY A 35 37.518 31.902 14.889 1.00 0.00 O ATOM 0 H GLY A 35 33.531 33.235 15.085 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.168 33.090 13.567 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.225 34.103 14.530 1.00 0.00 H new ATOM 563 N ILE A 36 35.544 31.162 15.701 1.00 0.00 N ATOM 564 CA ILE A 36 36.060 29.962 16.321 1.00 0.00 C ATOM 565 C ILE A 36 35.572 28.833 15.402 1.00 0.00 C ATOM 566 O ILE A 36 34.390 28.507 15.363 1.00 0.00 O ATOM 567 CB ILE A 36 35.583 29.816 17.764 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.477 28.763 18.437 1.00 0.00 C ATOM 569 CG2 ILE A 36 34.091 29.591 17.991 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.361 28.902 19.958 1.00 0.00 C ATOM 0 H ILE A 36 34.539 31.283 15.824 1.00 0.00 H new ATOM 0 HA ILE A 36 37.146 29.963 16.411 1.00 0.00 H new ATOM 0 HB ILE A 36 35.694 30.791 18.238 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.177 27.762 18.127 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.513 28.896 18.126 1.00 0.00 H new ATOM 0 HG21 ILE A 36 33.894 29.505 19.060 1.00 0.00 H new ATOM 0 HG22 ILE A 36 33.530 30.433 17.585 1.00 0.00 H new ATOM 0 HG23 ILE A 36 33.781 28.674 17.490 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.993 28.157 20.441 1.00 0.00 H new ATOM 0 HD12 ILE A 36 36.682 29.900 20.258 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.325 28.748 20.259 1.00 0.00 H new ATOM 582 N PRO A 37 36.424 28.133 14.667 1.00 0.00 N ATOM 583 CA PRO A 37 36.056 27.130 13.698 1.00 0.00 C ATOM 584 C PRO A 37 35.720 25.819 14.420 1.00 0.00 C ATOM 585 O PRO A 37 36.243 25.557 15.494 1.00 0.00 O ATOM 586 CB PRO A 37 37.257 27.000 12.764 1.00 0.00 C ATOM 587 CG PRO A 37 38.483 27.381 13.600 1.00 0.00 C ATOM 588 CD PRO A 37 37.863 28.349 14.607 1.00 0.00 C ATOM 0 HA PRO A 37 35.167 27.394 13.125 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.346 25.983 12.381 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.153 27.657 11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.936 26.516 14.085 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.261 27.853 13.000 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.305 28.198 15.592 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.075 29.378 14.316 1.00 0.00 H new ATOM 596 N PRO A 38 34.853 25.003 13.830 1.00 0.00 N ATOM 597 CA PRO A 38 34.227 23.875 14.500 1.00 0.00 C ATOM 598 C PRO A 38 35.183 22.969 15.282 1.00 0.00 C ATOM 599 O PRO A 38 34.683 22.563 16.332 1.00 0.00 O ATOM 600 CB PRO A 38 33.535 23.089 13.385 1.00 0.00 C ATOM 601 CG PRO A 38 33.085 24.194 12.424 1.00 0.00 C ATOM 602 CD PRO A 38 34.205 25.222 12.557 1.00 0.00 C ATOM 0 HA PRO A 38 33.547 24.247 15.267 1.00 0.00 H new ATOM 0 HB2 PRO A 38 34.214 22.386 12.904 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.691 22.511 13.761 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.989 23.829 11.402 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.117 24.609 12.707 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.920 25.117 11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.804 26.234 12.501 1.00 0.00 H new ATOM 610 N ASP A 39 36.389 22.699 14.801 1.00 0.00 N ATOM 611 CA ASP A 39 37.418 21.930 15.472 1.00 0.00 C ATOM 612 C ASP A 39 37.843 22.418 16.856 1.00 0.00 C ATOM 613 O ASP A 39 38.372 21.609 17.623 1.00 0.00 O ATOM 614 CB ASP A 39 38.561 21.739 14.486 1.00 0.00 C ATOM 615 CG ASP A 39 39.957 21.352 14.951 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.682 22.096 15.653 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.310 20.184 14.705 1.00 0.00 O ATOM 0 H ASP A 39 36.687 23.030 13.883 1.00 0.00 H new ATOM 0 HA ASP A 39 36.992 20.964 15.745 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.242 20.977 13.775 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.659 22.672 13.931 1.00 0.00 H new ATOM 622 N GLN A 40 37.495 23.631 17.279 1.00 0.00 N ATOM 623 CA GLN A 40 37.869 24.289 18.523 1.00 0.00 C ATOM 624 C GLN A 40 36.627 24.553 19.383 1.00 0.00 C ATOM 625 O GLN A 40 36.708 24.971 20.546 1.00 0.00 O ATOM 626 CB GLN A 40 38.619 25.591 18.288 1.00 0.00 C ATOM 627 CG GLN A 40 39.726 25.493 17.235 1.00 0.00 C ATOM 628 CD GLN A 40 40.593 26.744 17.350 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.047 27.810 17.655 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.862 26.601 16.976 1.00 0.00 N ATOM 0 H GLN A 40 36.893 24.227 16.710 1.00 0.00 H new ATOM 0 HA GLN A 40 38.542 23.612 19.049 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.907 26.358 17.981 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.057 25.921 19.230 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.326 24.597 17.394 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.297 25.416 16.236 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.224 25.676 16.743 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.473 27.416 16.923 1.00 0.00 H new ATOM 639 N GLN A 41 35.423 24.324 18.892 1.00 0.00 N ATOM 640 CA GLN A 41 34.219 24.467 19.683 1.00 0.00 C ATOM 641 C GLN A 41 34.011 23.120 20.362 1.00 0.00 C ATOM 642 O GLN A 41 34.168 22.035 19.798 1.00 0.00 O ATOM 643 CB GLN A 41 32.995 24.586 18.767 1.00 0.00 C ATOM 644 CG GLN A 41 33.093 25.901 17.998 1.00 0.00 C ATOM 645 CD GLN A 41 31.879 26.209 17.124 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.795 25.652 17.272 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.064 26.926 16.016 1.00 0.00 N ATOM 0 H GLN A 41 35.254 24.032 17.929 1.00 0.00 H new ATOM 0 HA GLN A 41 34.317 25.327 20.346 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.956 23.744 18.075 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.078 24.558 19.355 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.230 26.715 18.710 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.982 25.875 17.368 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.952 27.403 15.859 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.318 26.998 15.325 1.00 0.00 H new ATOM 656 N ARG A 42 33.493 23.172 21.581 1.00 0.00 N ATOM 657 CA ARG A 42 32.849 22.124 22.343 1.00 0.00 C ATOM 658 C ARG A 42 31.473 22.650 22.738 1.00 0.00 C ATOM 659 O ARG A 42 31.436 23.854 22.983 1.00 0.00 O ATOM 660 CB ARG A 42 33.758 21.599 23.451 1.00 0.00 C ATOM 661 CG ARG A 42 34.812 20.565 23.037 1.00 0.00 C ATOM 662 CD ARG A 42 35.486 20.135 24.331 1.00 0.00 C ATOM 663 NE ARG A 42 36.464 21.148 24.733 1.00 0.00 N ATOM 664 CZ ARG A 42 36.944 21.352 25.962 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.430 20.703 27.019 1.00 0.00 N ATOM 666 NH2 ARG A 42 37.999 22.145 26.197 1.00 0.00 N ATOM 0 H ARG A 42 33.519 24.043 22.111 1.00 0.00 H new ATOM 0 HA ARG A 42 32.675 21.214 21.768 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.271 22.448 23.902 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.132 21.157 24.226 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.352 19.715 22.532 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.533 20.996 22.343 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.741 20.003 25.115 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.979 19.173 24.194 1.00 0.00 H new ATOM 0 HE ARG A 42 36.815 21.762 23.998 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.663 20.044 26.889 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.807 20.869 27.952 1.00 0.00 H new ATOM 0 HH21 ARG A 42 38.464 22.618 25.422 1.00 0.00 H new ATOM 0 HH22 ARG A 42 38.336 22.276 27.151 1.00 0.00 H new ATOM 680 N LEU A 43 30.375 21.936 22.488 1.00 0.00 N ATOM 681 CA LEU A 43 29.022 22.441 22.443 1.00 0.00 C ATOM 682 C LEU A 43 28.163 21.733 23.496 1.00 0.00 C ATOM 683 O LEU A 43 28.039 20.534 23.269 1.00 0.00 O ATOM 684 CB LEU A 43 28.456 22.266 21.031 1.00 0.00 C ATOM 685 CG LEU A 43 29.111 22.998 19.863 1.00 0.00 C ATOM 686 CD1 LEU A 43 30.246 22.167 19.268 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.097 23.203 18.738 1.00 0.00 C ATOM 0 H LEU A 43 30.420 20.934 22.302 1.00 0.00 H new ATOM 0 HA LEU A 43 29.015 23.505 22.677 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.475 21.201 20.801 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.409 22.567 21.059 1.00 0.00 H new ATOM 0 HG LEU A 43 29.484 23.947 20.247 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.697 22.709 18.437 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.000 21.981 20.033 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.851 21.216 18.909 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.574 23.726 17.909 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.734 22.234 18.395 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.259 23.795 19.107 1.00 0.00 H new ATOM 699 N ILE A 44 27.759 22.252 24.657 1.00 0.00 N ATOM 700 CA ILE A 44 27.244 21.544 25.814 1.00 0.00 C ATOM 701 C ILE A 44 25.800 21.977 26.053 1.00 0.00 C ATOM 702 O ILE A 44 25.540 23.177 26.135 1.00 0.00 O ATOM 703 CB ILE A 44 28.101 21.656 27.070 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.571 22.048 26.870 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.932 20.453 27.987 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.473 20.917 26.382 1.00 0.00 C ATOM 0 H ILE A 44 27.789 23.259 24.818 1.00 0.00 H new ATOM 0 HA ILE A 44 27.281 20.479 25.584 1.00 0.00 H new ATOM 0 HB ILE A 44 27.692 22.531 27.576 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.620 22.868 26.154 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.964 22.426 27.814 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.561 20.576 28.869 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.889 20.373 28.294 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.225 19.547 27.456 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.492 21.287 26.270 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.460 20.103 27.107 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.111 20.552 25.421 1.00 0.00 H new ATOM 718 N PHE A 45 24.856 21.065 26.247 1.00 0.00 N ATOM 719 CA PHE A 45 23.525 21.299 26.797 1.00 0.00 C ATOM 720 C PHE A 45 23.352 20.669 28.176 1.00 0.00 C ATOM 721 O PHE A 45 23.508 19.452 28.303 1.00 0.00 O ATOM 722 CB PHE A 45 22.434 20.658 25.942 1.00 0.00 C ATOM 723 CG PHE A 45 21.001 21.082 26.178 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.735 22.343 26.709 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.951 20.218 25.845 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.401 22.785 26.717 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.615 20.551 26.062 1.00 0.00 C ATOM 728 CZ PHE A 45 18.370 21.877 26.447 1.00 0.00 C ATOM 0 H PHE A 45 25.007 20.084 26.011 1.00 0.00 H new ATOM 0 HA PHE A 45 23.433 22.384 26.833 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.672 20.854 24.896 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.490 19.579 26.084 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.529 22.961 27.102 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.184 19.260 25.405 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.172 23.819 26.930 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.818 19.832 25.941 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.347 22.211 26.539 1.00 0.00 H new ATOM 738 N ALA A 46 23.192 21.470 29.227 1.00 0.00 N ATOM 739 CA ALA A 46 23.271 21.201 30.652 1.00 0.00 C ATOM 740 C ALA A 46 24.700 20.842 31.050 1.00 0.00 C ATOM 741 O ALA A 46 25.565 21.696 31.201 1.00 0.00 O ATOM 742 CB ALA A 46 22.202 20.214 31.118 1.00 0.00 C ATOM 0 H ALA A 46 22.975 22.454 29.071 1.00 0.00 H new ATOM 0 HA ALA A 46 23.032 22.114 31.197 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.304 20.047 32.190 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.213 20.622 30.907 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.325 19.268 30.590 1.00 0.00 H new ATOM 748 N GLY A 47 24.954 19.535 31.024 1.00 0.00 N ATOM 749 CA GLY A 47 26.272 18.949 31.154 1.00 0.00 C ATOM 750 C GLY A 47 26.645 17.893 30.108 1.00 0.00 C ATOM 751 O GLY A 47 27.750 17.378 30.149 1.00 0.00 O ATOM 0 H GLY A 47 24.218 18.838 30.908 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.010 19.750 31.111 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.350 18.496 32.142 1.00 0.00 H new ATOM 755 N LYS A 48 25.762 17.621 29.156 1.00 0.00 N ATOM 756 CA LYS A 48 25.746 16.625 28.103 1.00 0.00 C ATOM 757 C LYS A 48 26.290 17.353 26.859 1.00 0.00 C ATOM 758 O LYS A 48 25.765 18.406 26.530 1.00 0.00 O ATOM 759 CB LYS A 48 24.320 16.137 27.833 1.00 0.00 C ATOM 760 CG LYS A 48 23.569 15.790 29.112 1.00 0.00 C ATOM 761 CD LYS A 48 22.182 15.166 28.946 1.00 0.00 C ATOM 762 CE LYS A 48 21.565 14.943 30.325 1.00 0.00 C ATOM 763 NZ LYS A 48 20.477 13.953 30.352 1.00 0.00 N ATOM 0 H LYS A 48 24.913 18.184 29.103 1.00 0.00 H new ATOM 0 HA LYS A 48 26.337 15.749 28.371 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.772 16.908 27.292 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.356 15.259 27.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.184 15.102 29.692 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.464 16.700 29.703 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.545 15.820 28.350 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.257 14.220 28.410 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.348 14.623 31.012 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.184 15.894 30.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.115 13.862 31.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.709 14.264 29.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.837 13.032 30.029 1.00 0.00 H new ATOM 777 N GLN A 49 27.283 16.759 26.201 1.00 0.00 N ATOM 778 CA GLN A 49 27.996 17.135 24.995 1.00 0.00 C ATOM 779 C GLN A 49 27.104 16.794 23.794 1.00 0.00 C ATOM 780 O GLN A 49 26.586 15.679 23.728 1.00 0.00 O ATOM 781 CB GLN A 49 29.477 16.764 24.895 1.00 0.00 C ATOM 782 CG GLN A 49 30.339 17.341 26.027 1.00 0.00 C ATOM 783 CD GLN A 49 30.759 16.420 27.162 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.261 15.307 27.319 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.479 16.990 28.122 1.00 0.00 N ATOM 0 H GLN A 49 27.653 15.878 26.559 1.00 0.00 H new ATOM 0 HA GLN A 49 28.152 18.213 25.020 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.571 15.678 24.897 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.866 17.116 23.939 1.00 0.00 H new ATOM 0 HG2 GLN A 49 31.245 17.749 25.579 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.795 18.178 26.464 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.885 17.914 27.975 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.626 16.504 29.006 1.00 0.00 H new ATOM 794 N LEU A 50 27.051 17.663 22.794 1.00 0.00 N ATOM 795 CA LEU A 50 26.369 17.373 21.546 1.00 0.00 C ATOM 796 C LEU A 50 27.417 16.831 20.569 1.00 0.00 C ATOM 797 O LEU A 50 28.590 17.193 20.541 1.00 0.00 O ATOM 798 CB LEU A 50 25.793 18.700 21.032 1.00 0.00 C ATOM 799 CG LEU A 50 24.420 19.168 21.504 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.203 19.168 23.019 1.00 0.00 C ATOM 801 CD2 LEU A 50 24.137 20.573 20.956 1.00 0.00 C ATOM 0 H LEU A 50 27.480 18.588 22.828 1.00 0.00 H new ATOM 0 HA LEU A 50 25.568 16.643 21.662 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.507 19.483 21.285 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.759 18.639 19.944 1.00 0.00 H new ATOM 0 HG LEU A 50 23.723 18.428 21.111 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.195 19.518 23.242 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.330 18.156 23.405 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.930 19.830 23.491 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.156 20.905 21.295 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.898 21.264 21.317 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.156 20.549 19.866 1.00 0.00 H new ATOM 813 N GLU A 51 26.882 16.042 19.644 1.00 0.00 N ATOM 814 CA GLU A 51 27.517 15.629 18.413 1.00 0.00 C ATOM 815 C GLU A 51 26.507 15.765 17.272 1.00 0.00 C ATOM 816 O GLU A 51 25.349 15.376 17.398 1.00 0.00 O ATOM 817 CB GLU A 51 28.107 14.237 18.642 1.00 0.00 C ATOM 818 CG GLU A 51 29.449 13.987 17.955 1.00 0.00 C ATOM 819 CD GLU A 51 30.587 14.748 18.621 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.833 14.591 19.840 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.358 15.392 17.873 1.00 0.00 O ATOM 0 H GLU A 51 25.943 15.657 19.745 1.00 0.00 H new ATOM 0 HA GLU A 51 28.355 16.258 18.113 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.229 14.082 19.714 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.392 13.493 18.292 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.670 12.920 17.971 1.00 0.00 H new ATOM 0 HG3 GLU A 51 29.380 14.283 16.908 1.00 0.00 H new ATOM 828 N ASP A 52 27.046 16.153 16.120 1.00 0.00 N ATOM 829 CA ASP A 52 26.423 16.175 14.817 1.00 0.00 C ATOM 830 C ASP A 52 25.707 14.893 14.406 1.00 0.00 C ATOM 831 O ASP A 52 26.168 13.803 14.747 1.00 0.00 O ATOM 832 CB ASP A 52 27.394 16.566 13.705 1.00 0.00 C ATOM 833 CG ASP A 52 28.385 15.498 13.273 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.242 15.057 14.059 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.433 15.205 12.057 1.00 0.00 O ATOM 0 H ASP A 52 28.009 16.486 16.080 1.00 0.00 H new ATOM 0 HA ASP A 52 25.659 16.942 14.939 1.00 0.00 H new ATOM 0 HB2 ASP A 52 26.813 16.867 12.833 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.955 17.442 14.032 1.00 0.00 H new ATOM 840 N GLY A 53 24.615 14.970 13.641 1.00 0.00 N ATOM 841 CA GLY A 53 23.742 13.852 13.382 1.00 0.00 C ATOM 842 C GLY A 53 22.498 13.902 14.269 1.00 0.00 C ATOM 843 O GLY A 53 21.749 12.928 14.206 1.00 0.00 O ATOM 0 H GLY A 53 24.319 15.832 13.182 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.444 13.856 12.334 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.279 12.920 13.557 1.00 0.00 H new ATOM 847 N ARG A 54 22.146 15.026 14.903 1.00 0.00 N ATOM 848 CA ARG A 54 20.909 15.242 15.625 1.00 0.00 C ATOM 849 C ARG A 54 20.624 16.721 15.371 1.00 0.00 C ATOM 850 O ARG A 54 21.411 17.578 14.963 1.00 0.00 O ATOM 851 CB ARG A 54 21.005 14.789 17.086 1.00 0.00 C ATOM 852 CG ARG A 54 20.845 13.278 17.279 1.00 0.00 C ATOM 853 CD ARG A 54 20.926 12.884 18.747 1.00 0.00 C ATOM 854 NE ARG A 54 21.822 11.735 18.806 1.00 0.00 N ATOM 855 CZ ARG A 54 21.534 10.450 18.591 1.00 0.00 C ATOM 856 NH1 ARG A 54 20.259 10.029 18.506 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.551 9.583 18.537 1.00 0.00 N ATOM 0 H ARG A 54 22.754 15.845 14.921 1.00 0.00 H new ATOM 0 HA ARG A 54 20.066 14.637 15.292 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.970 15.097 17.489 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.239 15.303 17.667 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.887 12.959 16.869 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.621 12.756 16.719 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.307 13.707 19.351 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.941 12.631 19.138 1.00 0.00 H new ATOM 0 HE ARG A 54 22.793 11.940 19.042 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.494 10.696 18.606 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.057 9.043 18.341 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.509 9.912 18.659 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.369 8.593 18.374 1.00 0.00 H new ATOM 871 N THR A 55 19.362 17.096 15.522 1.00 0.00 N ATOM 872 CA THR A 55 18.850 18.446 15.385 1.00 0.00 C ATOM 873 C THR A 55 18.590 19.058 16.766 1.00 0.00 C ATOM 874 O THR A 55 18.892 18.555 17.845 1.00 0.00 O ATOM 875 CB THR A 55 17.529 18.299 14.650 1.00 0.00 C ATOM 876 OG1 THR A 55 16.571 17.515 15.329 1.00 0.00 O ATOM 877 CG2 THR A 55 17.670 17.656 13.274 1.00 0.00 C ATOM 0 H THR A 55 18.629 16.426 15.757 1.00 0.00 H new ATOM 0 HA THR A 55 19.555 19.091 14.860 1.00 0.00 H new ATOM 0 HB THR A 55 17.195 19.334 14.576 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.745 16.566 15.159 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.689 17.582 12.805 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.324 18.267 12.652 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.098 16.659 13.380 1.00 0.00 H new ATOM 885 N LEU A 56 18.237 20.339 16.752 1.00 0.00 N ATOM 886 CA LEU A 56 17.881 21.071 17.948 1.00 0.00 C ATOM 887 C LEU A 56 16.628 20.403 18.520 1.00 0.00 C ATOM 888 O LEU A 56 16.522 20.266 19.742 1.00 0.00 O ATOM 889 CB LEU A 56 17.630 22.509 17.508 1.00 0.00 C ATOM 890 CG LEU A 56 18.943 23.279 17.330 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.798 24.359 16.253 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.509 23.868 18.615 1.00 0.00 C ATOM 0 H LEU A 56 18.192 20.897 15.900 1.00 0.00 H new ATOM 0 HA LEU A 56 18.649 21.070 18.721 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.075 22.512 16.570 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.008 23.014 18.248 1.00 0.00 H new ATOM 0 HG LEU A 56 19.673 22.537 17.006 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.742 24.893 16.144 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.533 23.893 15.304 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.016 25.060 16.544 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.438 24.395 18.396 1.00 0.00 H new ATOM 0 HD22 LEU A 56 18.789 24.565 19.044 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.706 23.066 19.327 1.00 0.00 H new ATOM 904 N SER A 57 15.742 19.942 17.649 1.00 0.00 N ATOM 905 CA SER A 57 14.555 19.211 18.078 1.00 0.00 C ATOM 906 C SER A 57 14.898 17.882 18.741 1.00 0.00 C ATOM 907 O SER A 57 14.349 17.572 19.798 1.00 0.00 O ATOM 908 CB SER A 57 13.642 19.030 16.862 1.00 0.00 C ATOM 909 OG SER A 57 12.295 18.693 17.129 1.00 0.00 O ATOM 0 H SER A 57 15.822 20.061 16.639 1.00 0.00 H new ATOM 0 HA SER A 57 14.035 19.785 18.845 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.654 19.955 16.285 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.069 18.253 16.228 1.00 0.00 H new ATOM 0 HG SER A 57 11.806 18.605 16.284 1.00 0.00 H new ATOM 915 N ASP A 58 15.811 17.113 18.152 1.00 0.00 N ATOM 916 CA ASP A 58 16.230 15.849 18.728 1.00 0.00 C ATOM 917 C ASP A 58 16.694 16.011 20.184 1.00 0.00 C ATOM 918 O ASP A 58 16.393 15.140 20.990 1.00 0.00 O ATOM 919 CB ASP A 58 17.396 15.313 17.909 1.00 0.00 C ATOM 920 CG ASP A 58 16.865 14.473 16.753 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.308 13.395 17.029 1.00 0.00 O ATOM 922 OD2 ASP A 58 16.982 14.957 15.604 1.00 0.00 O ATOM 0 H ASP A 58 16.273 17.349 17.274 1.00 0.00 H new ATOM 0 HA ASP A 58 15.380 15.167 18.714 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.995 16.139 17.526 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.050 14.710 18.539 1.00 0.00 H new ATOM 927 N TYR A 59 17.521 16.999 20.498 1.00 0.00 N ATOM 928 CA TYR A 59 18.100 17.215 21.806 1.00 0.00 C ATOM 929 C TYR A 59 17.119 17.799 22.821 1.00 0.00 C ATOM 930 O TYR A 59 17.381 17.938 24.015 1.00 0.00 O ATOM 931 CB TYR A 59 19.324 18.116 21.658 1.00 0.00 C ATOM 932 CG TYR A 59 20.578 17.405 21.187 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.242 16.631 22.151 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.176 17.605 19.935 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.420 15.926 21.884 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.380 16.953 19.676 1.00 0.00 C ATOM 937 CZ TYR A 59 22.943 16.053 20.593 1.00 0.00 C ATOM 938 OH TYR A 59 24.055 15.312 20.340 1.00 0.00 O ATOM 0 H TYR A 59 17.815 17.698 19.816 1.00 0.00 H new ATOM 0 HA TYR A 59 18.385 16.241 22.204 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.088 18.914 20.954 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.529 18.589 22.619 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.824 16.577 23.145 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.718 18.244 19.195 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.900 15.316 22.635 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.893 17.146 18.745 1.00 0.00 H new ATOM 0 HH TYR A 59 24.109 15.120 19.380 1.00 0.00 H new ATOM 948 N ASN A 60 15.967 18.222 22.311 1.00 0.00 N ATOM 949 CA ASN A 60 14.870 18.942 22.930 1.00 0.00 C ATOM 950 C ASN A 60 15.215 20.363 23.367 1.00 0.00 C ATOM 951 O ASN A 60 14.871 20.719 24.493 1.00 0.00 O ATOM 952 CB ASN A 60 14.291 18.089 24.061 1.00 0.00 C ATOM 953 CG ASN A 60 12.913 18.484 24.571 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.010 18.809 23.799 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.506 18.460 25.831 1.00 0.00 N ATOM 0 H ASN A 60 15.760 18.042 21.329 1.00 0.00 H new ATOM 0 HA ASN A 60 14.104 19.098 22.170 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.245 17.055 23.719 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.986 18.117 24.900 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.540 18.696 26.060 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.158 18.206 26.573 1.00 0.00 H new ATOM 962 N ILE A 61 15.882 21.091 22.474 1.00 0.00 N ATOM 963 CA ILE A 61 16.292 22.437 22.798 1.00 0.00 C ATOM 964 C ILE A 61 15.147 23.357 22.361 1.00 0.00 C ATOM 965 O ILE A 61 14.504 23.039 21.359 1.00 0.00 O ATOM 966 CB ILE A 61 17.602 22.662 22.048 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.639 21.691 22.620 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.084 24.111 22.062 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.944 21.658 21.823 1.00 0.00 C ATOM 0 H ILE A 61 16.142 20.772 21.541 1.00 0.00 H new ATOM 0 HA ILE A 61 16.474 22.632 23.855 1.00 0.00 H new ATOM 0 HB ILE A 61 17.439 22.459 20.989 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.858 21.971 23.650 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.212 20.688 22.646 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.020 24.189 21.509 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.333 24.749 21.596 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.244 24.431 23.092 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.633 20.950 22.283 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.737 21.349 20.798 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.393 22.651 21.819 1.00 0.00 H new ATOM 981 N GLN A 62 14.847 24.415 23.101 1.00 0.00 N ATOM 982 CA GLN A 62 13.816 25.375 22.774 1.00 0.00 C ATOM 983 C GLN A 62 14.141 26.856 22.972 1.00 0.00 C ATOM 984 O GLN A 62 15.243 27.180 23.422 1.00 0.00 O ATOM 985 CB GLN A 62 12.532 24.991 23.517 1.00 0.00 C ATOM 986 CG GLN A 62 11.557 24.224 22.616 1.00 0.00 C ATOM 987 CD GLN A 62 11.027 25.086 21.472 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.907 26.280 21.756 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.784 24.670 20.234 1.00 0.00 N ATOM 0 H GLN A 62 15.333 24.631 23.972 1.00 0.00 H new ATOM 0 HA GLN A 62 13.703 25.305 21.692 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.783 24.379 24.383 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.047 25.892 23.893 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.058 23.347 22.206 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.720 23.863 23.214 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.883 23.682 19.999 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.498 25.338 19.518 1.00 0.00 H new ATOM 998 N LYS A 63 13.179 27.693 22.619 1.00 0.00 N ATOM 999 CA LYS A 63 13.223 29.147 22.615 1.00 0.00 C ATOM 1000 C LYS A 63 13.756 29.721 23.928 1.00 0.00 C ATOM 1001 O LYS A 63 13.193 29.489 25.005 1.00 0.00 O ATOM 1002 CB LYS A 63 11.873 29.754 22.226 1.00 0.00 C ATOM 1003 CG LYS A 63 11.625 29.876 20.717 1.00 0.00 C ATOM 1004 CD LYS A 63 10.199 30.331 20.377 1.00 0.00 C ATOM 1005 CE LYS A 63 9.995 30.734 18.918 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.673 31.360 18.791 1.00 0.00 N ATOM 0 H LYS A 63 12.274 27.345 22.302 1.00 0.00 H new ATOM 0 HA LYS A 63 13.938 29.436 21.845 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.080 29.146 22.661 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.796 30.745 22.673 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.337 30.585 20.294 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.815 28.912 20.244 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.506 29.525 20.619 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.939 31.176 21.014 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.775 31.428 18.603 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.065 29.860 18.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.516 31.642 17.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.939 30.682 19.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.627 32.200 19.402 1.00 0.00 H new ATOM 1020 N GLU A 64 14.881 30.419 23.934 1.00 0.00 N ATOM 1021 CA GLU A 64 15.470 31.233 24.972 1.00 0.00 C ATOM 1022 C GLU A 64 16.203 30.405 26.029 1.00 0.00 C ATOM 1023 O GLU A 64 16.477 30.897 27.120 1.00 0.00 O ATOM 1024 CB GLU A 64 14.644 32.421 25.455 1.00 0.00 C ATOM 1025 CG GLU A 64 14.753 33.711 24.631 1.00 0.00 C ATOM 1026 CD GLU A 64 14.190 33.799 23.216 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.335 32.964 22.848 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.495 34.746 22.465 1.00 0.00 O ATOM 0 H GLU A 64 15.472 30.424 23.103 1.00 0.00 H new ATOM 0 HA GLU A 64 16.269 31.787 24.480 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.597 32.120 25.481 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.937 32.646 26.481 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.276 34.500 25.212 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.813 33.958 24.567 1.00 0.00 H new ATOM 1035 N SER A 65 16.620 29.205 25.642 1.00 0.00 N ATOM 1036 CA SER A 65 17.520 28.329 26.377 1.00 0.00 C ATOM 1037 C SER A 65 18.957 28.883 26.371 1.00 0.00 C ATOM 1038 O SER A 65 19.368 29.619 25.489 1.00 0.00 O ATOM 1039 CB SER A 65 17.688 26.959 25.729 1.00 0.00 C ATOM 1040 OG SER A 65 16.437 26.297 25.776 1.00 0.00 O ATOM 0 H SER A 65 16.321 28.796 24.757 1.00 0.00 H new ATOM 0 HA SER A 65 17.070 28.262 27.367 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.025 27.064 24.698 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.446 26.379 26.255 1.00 0.00 H new ATOM 0 HG SER A 65 15.918 26.522 24.976 1.00 0.00 H new ATOM 1046 N THR A 66 19.739 28.615 27.403 1.00 0.00 N ATOM 1047 CA THR A 66 21.179 28.763 27.317 1.00 0.00 C ATOM 1048 C THR A 66 21.820 27.389 27.061 1.00 0.00 C ATOM 1049 O THR A 66 21.721 26.483 27.878 1.00 0.00 O ATOM 1050 CB THR A 66 21.580 29.280 28.699 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.688 30.326 29.014 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.004 29.825 28.768 1.00 0.00 C ATOM 0 H THR A 66 19.399 28.294 28.310 1.00 0.00 H new ATOM 0 HA THR A 66 21.496 29.427 26.513 1.00 0.00 H new ATOM 0 HB THR A 66 21.538 28.444 29.397 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.908 30.688 29.898 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.212 30.172 29.780 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.709 29.037 28.503 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.110 30.656 28.071 1.00 0.00 H new ATOM 1060 N LEU A 67 22.694 27.368 26.058 1.00 0.00 N ATOM 1061 CA LEU A 67 23.628 26.315 25.743 1.00 0.00 C ATOM 1062 C LEU A 67 25.043 26.799 26.057 1.00 0.00 C ATOM 1063 O LEU A 67 25.266 27.971 25.764 1.00 0.00 O ATOM 1064 CB LEU A 67 23.523 26.056 24.236 1.00 0.00 C ATOM 1065 CG LEU A 67 22.412 25.144 23.707 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.678 23.642 23.738 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.015 25.464 24.237 1.00 0.00 C ATOM 0 H LEU A 67 22.765 28.147 25.403 1.00 0.00 H new ATOM 0 HA LEU A 67 23.413 25.414 26.317 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.415 27.023 23.744 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.474 25.637 23.909 1.00 0.00 H new ATOM 0 HG LEU A 67 22.434 25.410 22.650 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.815 23.111 23.337 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.556 23.415 23.133 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.853 23.325 24.766 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.295 24.767 23.808 1.00 0.00 H new ATOM 0 HD22 LEU A 67 21.008 25.371 25.323 1.00 0.00 H new ATOM 0 HD23 LEU A 67 20.745 26.483 23.958 1.00 0.00 H new ATOM 1079 N HIS A 68 25.953 25.991 26.599 1.00 0.00 N ATOM 1080 CA HIS A 68 27.286 26.514 26.842 1.00 0.00 C ATOM 1081 C HIS A 68 28.357 26.120 25.808 1.00 0.00 C ATOM 1082 O HIS A 68 28.122 25.213 25.009 1.00 0.00 O ATOM 1083 CB HIS A 68 27.649 25.757 28.116 1.00 0.00 C ATOM 1084 CG HIS A 68 28.731 26.358 28.960 1.00 0.00 C ATOM 1085 ND1 HIS A 68 28.564 27.705 29.287 1.00 0.00 N ATOM 1086 CD2 HIS A 68 29.760 25.845 29.699 1.00 0.00 C ATOM 1087 CE1 HIS A 68 29.587 28.034 30.065 1.00 0.00 C ATOM 1088 NE2 HIS A 68 30.233 26.917 30.442 1.00 0.00 N ATOM 0 H HIS A 68 25.800 25.018 26.866 1.00 0.00 H new ATOM 0 HA HIS A 68 27.271 27.604 26.846 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.751 25.664 28.726 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.952 24.747 27.839 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.125 24.828 29.704 1.00 0.00 H new ATOM 0 HE1 HIS A 68 29.858 29.040 30.350 1.00 0.00 H new ATOM 0 HE2 HIS A 68 30.956 26.866 31.160 1.00 0.00 H new ATOM 1096 N LEU A 69 29.512 26.776 25.742 1.00 0.00 N ATOM 1097 CA LEU A 69 30.600 26.617 24.802 1.00 0.00 C ATOM 1098 C LEU A 69 31.910 26.768 25.582 1.00 0.00 C ATOM 1099 O LEU A 69 31.978 27.770 26.283 1.00 0.00 O ATOM 1100 CB LEU A 69 30.389 27.454 23.550 1.00 0.00 C ATOM 1101 CG LEU A 69 31.572 27.507 22.581 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.123 26.891 21.255 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.223 28.865 22.302 1.00 0.00 C ATOM 0 H LEU A 69 29.723 27.507 26.421 1.00 0.00 H new ATOM 0 HA LEU A 69 30.647 25.621 24.362 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.523 27.064 23.016 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.145 28.472 23.853 1.00 0.00 H new ATOM 0 HG LEU A 69 32.361 26.955 23.092 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.949 26.916 20.544 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.816 25.858 21.419 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.283 27.460 20.856 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.045 28.737 21.597 1.00 0.00 H new ATOM 0 HD22 LEU A 69 31.483 29.543 21.877 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.605 29.283 23.233 1.00 0.00 H new ATOM 1115 N VAL A 70 32.898 25.906 25.319 1.00 0.00 N ATOM 1116 CA VAL A 70 34.183 25.815 25.975 1.00 0.00 C ATOM 1117 C VAL A 70 35.184 26.466 25.018 1.00 0.00 C ATOM 1118 O VAL A 70 35.271 26.102 23.850 1.00 0.00 O ATOM 1119 CB VAL A 70 34.616 24.397 26.363 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.603 24.457 27.533 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.494 23.424 26.739 1.00 0.00 C ATOM 0 H VAL A 70 32.801 25.205 24.584 1.00 0.00 H new ATOM 0 HA VAL A 70 34.127 26.324 26.937 1.00 0.00 H new ATOM 0 HB VAL A 70 35.063 24.000 25.451 1.00 0.00 H new ATOM 0 HG11 VAL A 70 35.907 23.446 27.804 1.00 0.00 H new ATOM 0 HG12 VAL A 70 36.480 25.034 27.240 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.125 24.934 28.388 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.923 22.455 26.994 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.946 23.815 27.596 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.814 23.309 25.895 1.00 0.00 H new ATOM 1131 N LEU A 71 35.747 27.519 25.605 1.00 0.00 N ATOM 1132 CA LEU A 71 36.856 28.228 25.007 1.00 0.00 C ATOM 1133 C LEU A 71 38.150 27.716 25.643 1.00 0.00 C ATOM 1134 O LEU A 71 38.163 27.490 26.850 1.00 0.00 O ATOM 1135 CB LEU A 71 36.568 29.719 25.188 1.00 0.00 C ATOM 1136 CG LEU A 71 36.805 30.440 23.861 1.00 0.00 C ATOM 1137 CD1 LEU A 71 36.273 31.871 23.807 1.00 0.00 C ATOM 1138 CD2 LEU A 71 38.285 30.498 23.461 1.00 0.00 C ATOM 0 H LEU A 71 35.444 27.897 26.503 1.00 0.00 H new ATOM 0 HA LEU A 71 36.980 28.059 23.937 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.539 29.866 25.517 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.213 30.135 25.962 1.00 0.00 H new ATOM 0 HG LEU A 71 36.240 29.824 23.161 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.487 32.302 22.829 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.196 31.865 23.974 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.756 32.468 24.580 1.00 0.00 H new ATOM 0 HD21 LEU A 71 38.385 31.022 22.511 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.849 31.028 24.229 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.674 29.485 23.359 1.00 0.00 H new ATOM 1150 N ARG A 72 39.191 27.664 24.814 1.00 0.00 N ATOM 1151 CA ARG A 72 40.552 27.389 25.223 1.00 0.00 C ATOM 1152 C ARG A 72 41.075 28.688 25.836 1.00 0.00 C ATOM 1153 O ARG A 72 41.134 29.674 25.106 1.00 0.00 O ATOM 1154 CB ARG A 72 41.296 26.938 23.954 1.00 0.00 C ATOM 1155 CG ARG A 72 42.826 26.962 23.982 1.00 0.00 C ATOM 1156 CD ARG A 72 43.586 26.118 22.961 1.00 0.00 C ATOM 1157 NE ARG A 72 44.970 26.565 22.857 1.00 0.00 N ATOM 1158 CZ ARG A 72 45.917 26.123 22.025 1.00 0.00 C ATOM 1159 NH1 ARG A 72 45.763 24.958 21.374 1.00 0.00 N ATOM 1160 NH2 ARG A 72 47.107 26.716 21.905 1.00 0.00 N ATOM 0 H ARG A 72 39.099 27.818 23.810 1.00 0.00 H new ATOM 0 HA ARG A 72 40.673 26.602 25.967 1.00 0.00 H new ATOM 0 HB2 ARG A 72 40.980 25.920 23.724 1.00 0.00 H new ATOM 0 HB3 ARG A 72 40.965 27.569 23.129 1.00 0.00 H new ATOM 0 HG2 ARG A 72 43.144 27.997 23.859 1.00 0.00 H new ATOM 0 HG3 ARG A 72 43.145 26.647 24.976 1.00 0.00 H new ATOM 0 HD2 ARG A 72 43.558 25.069 23.255 1.00 0.00 H new ATOM 0 HD3 ARG A 72 43.100 26.190 21.988 1.00 0.00 H new ATOM 0 HE ARG A 72 45.250 27.307 23.499 1.00 0.00 H new ATOM 0 HH11 ARG A 72 44.918 24.404 21.513 1.00 0.00 H new ATOM 0 HH12 ARG A 72 46.491 24.628 20.740 1.00 0.00 H new ATOM 0 HH21 ARG A 72 47.323 27.542 22.462 1.00 0.00 H new ATOM 0 HH22 ARG A 72 47.800 26.343 21.256 1.00 0.00 H new ATOM 1174 N LEU A 73 41.453 28.669 27.104 1.00 0.00 N ATOM 1175 CA LEU A 73 41.999 29.845 27.765 1.00 0.00 C ATOM 1176 C LEU A 73 43.486 29.853 27.370 1.00 0.00 C ATOM 1177 O LEU A 73 44.055 28.834 27.011 1.00 0.00 O ATOM 1178 CB LEU A 73 41.907 29.744 29.284 1.00 0.00 C ATOM 1179 CG LEU A 73 40.474 29.830 29.817 1.00 0.00 C ATOM 1180 CD1 LEU A 73 40.398 29.511 31.307 1.00 0.00 C ATOM 1181 CD2 LEU A 73 39.701 31.113 29.501 1.00 0.00 C ATOM 0 H LEU A 73 41.391 27.844 27.701 1.00 0.00 H new ATOM 0 HA LEU A 73 41.452 30.741 27.471 1.00 0.00 H new ATOM 0 HB2 LEU A 73 42.349 28.801 29.605 1.00 0.00 H new ATOM 0 HB3 LEU A 73 42.500 30.542 29.730 1.00 0.00 H new ATOM 0 HG LEU A 73 39.959 29.056 29.247 1.00 0.00 H new ATOM 0 HD11 LEU A 73 39.363 29.584 31.642 1.00 0.00 H new ATOM 0 HD12 LEU A 73 40.766 28.500 31.482 1.00 0.00 H new ATOM 0 HD13 LEU A 73 41.011 30.221 31.863 1.00 0.00 H new ATOM 0 HD21 LEU A 73 38.702 31.051 29.932 1.00 0.00 H new ATOM 0 HD22 LEU A 73 40.227 31.968 29.925 1.00 0.00 H new ATOM 0 HD23 LEU A 73 39.623 31.234 28.421 1.00 0.00 H new ATOM 1193 N ARG A 74 44.126 30.996 27.573 1.00 0.00 N ATOM 1194 CA ARG A 74 45.477 31.212 27.091 1.00 0.00 C ATOM 1195 C ARG A 74 46.469 31.121 28.260 1.00 0.00 C ATOM 1196 O ARG A 74 47.563 30.581 28.106 1.00 0.00 O ATOM 1197 CB ARG A 74 45.556 32.595 26.445 1.00 0.00 C ATOM 1198 CG ARG A 74 44.669 32.590 25.193 1.00 0.00 C ATOM 1199 CD ARG A 74 44.713 33.822 24.287 1.00 0.00 C ATOM 1200 NE ARG A 74 46.016 33.956 23.646 1.00 0.00 N ATOM 1201 CZ ARG A 74 46.505 33.567 22.462 1.00 0.00 C ATOM 1202 NH1 ARG A 74 45.781 32.838 21.596 1.00 0.00 N ATOM 1203 NH2 ARG A 74 47.770 33.795 22.104 1.00 0.00 N ATOM 0 H ARG A 74 43.726 31.791 28.072 1.00 0.00 H new ATOM 0 HA ARG A 74 45.733 30.449 26.356 1.00 0.00 H new ATOM 0 HB2 ARG A 74 45.222 33.361 27.145 1.00 0.00 H new ATOM 0 HB3 ARG A 74 46.586 32.833 26.180 1.00 0.00 H new ATOM 0 HG2 ARG A 74 44.941 31.722 24.593 1.00 0.00 H new ATOM 0 HG3 ARG A 74 43.637 32.446 25.513 1.00 0.00 H new ATOM 0 HD2 ARG A 74 43.936 33.746 23.526 1.00 0.00 H new ATOM 0 HD3 ARG A 74 44.499 34.716 24.873 1.00 0.00 H new ATOM 0 HE ARG A 74 46.699 34.450 24.221 1.00 0.00 H new ATOM 0 HH11 ARG A 74 44.827 32.564 21.833 1.00 0.00 H new ATOM 0 HH12 ARG A 74 46.185 32.559 20.702 1.00 0.00 H new ATOM 0 HH21 ARG A 74 48.401 34.281 22.741 1.00 0.00 H new ATOM 0 HH22 ARG A 74 48.106 33.483 21.193 1.00 0.00 H new ATOM 1217 N GLY A 75 46.004 31.648 29.385 1.00 0.00 N ATOM 1218 CA GLY A 75 46.842 31.685 30.568 1.00 0.00 C ATOM 1219 C GLY A 75 46.985 33.123 31.075 1.00 0.00 C ATOM 1220 O GLY A 75 46.249 33.980 30.598 1.00 0.00 O ATOM 0 H GLY A 75 45.072 32.047 29.500 1.00 0.00 H new ATOM 0 HA2 GLY A 75 46.409 31.059 31.348 1.00 0.00 H new ATOM 0 HA3 GLY A 75 47.825 31.274 30.338 1.00 0.00 H new ATOM 1224 N GLY A 76 47.883 33.418 32.014 1.00 0.00 N ATOM 1225 CA GLY A 76 47.905 34.664 32.753 1.00 0.00 C ATOM 1226 C GLY A 76 47.593 34.349 34.207 1.00 0.00 C ATOM 1227 O GLY A 76 46.499 33.803 34.451 1.00 0.00 O ATOM 1228 OXT GLY A 76 48.596 34.268 34.941 1.00 0.00 O ATOM 0 H GLY A 76 48.630 32.777 32.283 1.00 0.00 H new ATOM 0 HA2 GLY A 76 48.881 35.142 32.667 1.00 0.00 H new ATOM 0 HA3 GLY A 76 47.172 35.361 32.348 1.00 0.00 H new TER 1232 GLY A 76