USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= 0.158 K(o=0.16,f=-1.9!) USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -152:sc= 0 (180deg=-0.116) USER MOD Single : A 1 MET N :NH3+ -145:sc= 2.4 (180deg=2.25) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.17) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.106 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.63) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 0.749 (180deg=0.43) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 1.35 (180deg=0.981) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.05 K(o=1,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0766! C(o=0.077!,f=-5.9!) USER MOD Single : A 55 THR OG1 : rot -48:sc= 0.722 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 0.522 USER MOD Single : A 60 ASN : amide:sc= 0.0591 X(o=0.059,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 104:sc= 0.718 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0308 K(o=-0.031,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.584 31.276 16.676 1.00 0.00 N ATOM 2 CA MET A 1 13.564 30.746 18.049 1.00 0.00 C ATOM 3 C MET A 1 14.939 31.174 18.575 1.00 0.00 C ATOM 4 O MET A 1 15.939 30.709 18.015 1.00 0.00 O ATOM 5 CB MET A 1 13.442 29.231 18.022 1.00 0.00 C ATOM 6 CG MET A 1 13.235 28.702 19.446 1.00 0.00 C ATOM 7 SD MET A 1 13.401 26.932 19.751 1.00 0.00 S ATOM 8 CE MET A 1 15.211 26.836 19.792 1.00 0.00 C ATOM 0 H1 MET A 1 12.630 31.594 16.413 1.00 0.00 H new ATOM 0 H2 MET A 1 14.243 32.079 16.623 1.00 0.00 H new ATOM 0 H3 MET A 1 13.893 30.530 16.020 1.00 0.00 H new ATOM 0 HA MET A 1 12.733 31.104 18.657 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.605 28.935 17.389 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.340 28.792 17.588 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.944 29.216 20.095 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.236 28.999 19.766 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.530 25.843 19.477 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.630 27.583 19.118 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.562 27.025 20.806 1.00 0.00 H new ATOM 20 N GLN A 2 15.066 32.014 19.608 1.00 0.00 N ATOM 21 CA GLN A 2 16.327 32.474 20.126 1.00 0.00 C ATOM 22 C GLN A 2 16.932 31.570 21.206 1.00 0.00 C ATOM 23 O GLN A 2 16.208 31.175 22.113 1.00 0.00 O ATOM 24 CB GLN A 2 15.982 33.871 20.639 1.00 0.00 C ATOM 25 CG GLN A 2 17.203 34.678 21.087 1.00 0.00 C ATOM 26 CD GLN A 2 17.412 34.657 22.589 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.427 34.580 23.334 1.00 0.00 O ATOM 28 NE2 GLN A 2 18.618 34.770 23.131 1.00 0.00 N ATOM 0 H GLN A 2 14.263 32.394 20.110 1.00 0.00 H new ATOM 0 HA GLN A 2 17.113 32.468 19.371 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.463 34.420 19.853 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.289 33.781 21.476 1.00 0.00 H new ATOM 0 HG2 GLN A 2 18.092 34.282 20.597 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.090 35.710 20.756 1.00 0.00 H new ATOM 0 HE21 GLN A 2 19.442 34.835 22.533 1.00 0.00 H new ATOM 0 HE22 GLN A 2 18.721 34.792 24.146 1.00 0.00 H new ATOM 37 N ILE A 3 18.232 31.319 21.103 1.00 0.00 N ATOM 38 CA ILE A 3 19.116 30.702 22.076 1.00 0.00 C ATOM 39 C ILE A 3 20.267 31.604 22.522 1.00 0.00 C ATOM 40 O ILE A 3 20.704 32.454 21.747 1.00 0.00 O ATOM 41 CB ILE A 3 19.441 29.331 21.487 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.142 29.276 20.133 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.223 28.425 21.339 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.680 27.904 19.733 1.00 0.00 C ATOM 0 H ILE A 3 18.739 31.568 20.253 1.00 0.00 H new ATOM 0 HA ILE A 3 18.659 30.552 23.054 1.00 0.00 H new ATOM 0 HB ILE A 3 20.143 28.991 22.248 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.443 29.612 19.367 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.970 29.985 20.142 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.530 27.469 20.915 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.772 28.260 22.317 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.496 28.898 20.679 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.159 27.972 18.756 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.408 27.569 20.472 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.857 27.191 19.685 1.00 0.00 H new ATOM 56 N PHE A 4 20.729 31.487 23.763 1.00 0.00 N ATOM 57 CA PHE A 4 21.931 32.080 24.323 1.00 0.00 C ATOM 58 C PHE A 4 23.077 31.077 24.365 1.00 0.00 C ATOM 59 O PHE A 4 22.902 30.033 24.985 1.00 0.00 O ATOM 60 CB PHE A 4 21.714 32.590 25.754 1.00 0.00 C ATOM 61 CG PHE A 4 20.768 33.764 25.724 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.161 34.995 25.189 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.576 33.644 26.435 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.342 36.126 25.135 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.821 34.815 26.576 1.00 0.00 C ATOM 66 CZ PHE A 4 19.235 36.008 25.983 1.00 0.00 C ATOM 0 H PHE A 4 20.230 30.929 24.456 1.00 0.00 H new ATOM 0 HA PHE A 4 22.178 32.916 23.669 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.306 31.795 26.378 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.666 32.886 26.196 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.162 35.077 24.792 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.253 32.702 26.853 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.539 36.987 24.514 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.907 34.794 27.151 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.663 36.900 26.192 1.00 0.00 H new ATOM 76 N VAL A 5 24.136 31.366 23.605 1.00 0.00 N ATOM 77 CA VAL A 5 25.424 30.696 23.535 1.00 0.00 C ATOM 78 C VAL A 5 26.244 31.414 24.601 1.00 0.00 C ATOM 79 O VAL A 5 26.805 32.477 24.365 1.00 0.00 O ATOM 80 CB VAL A 5 25.869 30.939 22.086 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.380 30.784 21.894 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.128 30.232 20.957 1.00 0.00 C ATOM 0 H VAL A 5 24.102 32.156 22.961 1.00 0.00 H new ATOM 0 HA VAL A 5 25.481 29.625 23.728 1.00 0.00 H new ATOM 0 HB VAL A 5 25.565 31.980 21.974 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.635 30.967 20.850 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.903 31.501 22.527 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.680 29.773 22.168 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.568 30.513 20.000 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.207 29.153 21.090 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.078 30.523 20.973 1.00 0.00 H new ATOM 92 N LYS A 6 26.393 30.827 25.783 1.00 0.00 N ATOM 93 CA LYS A 6 27.405 31.238 26.744 1.00 0.00 C ATOM 94 C LYS A 6 28.832 30.822 26.387 1.00 0.00 C ATOM 95 O LYS A 6 29.003 29.902 25.599 1.00 0.00 O ATOM 96 CB LYS A 6 27.153 30.611 28.106 1.00 0.00 C ATOM 97 CG LYS A 6 27.670 31.412 29.302 1.00 0.00 C ATOM 98 CD LYS A 6 27.381 30.657 30.608 1.00 0.00 C ATOM 99 CE LYS A 6 28.034 31.315 31.817 1.00 0.00 C ATOM 100 NZ LYS A 6 27.565 30.823 33.130 1.00 0.00 N ATOM 0 H LYS A 6 25.813 30.051 26.101 1.00 0.00 H new ATOM 0 HA LYS A 6 27.324 32.325 26.742 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.080 30.463 28.226 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.615 29.624 28.124 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.742 31.581 29.200 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.194 32.392 29.326 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.303 30.606 30.764 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.739 29.631 30.518 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.112 31.165 31.754 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.858 32.389 31.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.065 31.328 33.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.542 30.990 33.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.757 29.804 33.208 1.00 0.00 H new ATOM 114 N THR A 7 29.836 31.522 26.914 1.00 0.00 N ATOM 115 CA THR A 7 31.229 31.131 26.796 1.00 0.00 C ATOM 116 C THR A 7 32.009 31.635 28.016 1.00 0.00 C ATOM 117 O THR A 7 31.455 32.439 28.771 1.00 0.00 O ATOM 118 CB THR A 7 31.628 31.352 25.337 1.00 0.00 C ATOM 119 OG1 THR A 7 32.929 30.873 25.081 1.00 0.00 O ATOM 120 CG2 THR A 7 31.651 32.826 24.919 1.00 0.00 C ATOM 0 H THR A 7 29.697 32.385 27.440 1.00 0.00 H new ATOM 0 HA THR A 7 31.498 30.080 26.906 1.00 0.00 H new ATOM 0 HB THR A 7 30.866 30.814 24.774 1.00 0.00 H new ATOM 0 HG1 THR A 7 33.155 31.027 24.140 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.943 32.903 23.872 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.659 33.257 25.052 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.368 33.368 25.536 1.00 0.00 H new ATOM 128 N LEU A 8 33.216 31.157 28.302 1.00 0.00 N ATOM 129 CA LEU A 8 34.062 31.363 29.465 1.00 0.00 C ATOM 130 C LEU A 8 34.291 32.758 30.045 1.00 0.00 C ATOM 131 O LEU A 8 34.295 32.997 31.253 1.00 0.00 O ATOM 132 CB LEU A 8 35.399 30.720 29.112 1.00 0.00 C ATOM 133 CG LEU A 8 36.269 30.376 30.328 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.788 29.139 31.080 1.00 0.00 C ATOM 135 CD2 LEU A 8 37.733 30.260 29.871 1.00 0.00 C ATOM 0 H LEU A 8 33.679 30.538 27.636 1.00 0.00 H new ATOM 0 HA LEU A 8 33.501 30.922 30.289 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.213 29.809 28.543 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.954 31.395 28.461 1.00 0.00 H new ATOM 0 HG LEU A 8 36.184 31.183 31.056 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.446 28.950 31.928 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.772 29.303 31.438 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.802 28.278 30.411 1.00 0.00 H new ATOM 0 HD21 LEU A 8 38.363 30.016 30.726 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.819 29.474 29.121 1.00 0.00 H new ATOM 0 HD23 LEU A 8 38.056 31.208 29.442 1.00 0.00 H new ATOM 147 N THR A 9 34.447 33.743 29.165 1.00 0.00 N ATOM 148 CA THR A 9 34.839 35.103 29.467 1.00 0.00 C ATOM 149 C THR A 9 33.646 35.938 29.930 1.00 0.00 C ATOM 150 O THR A 9 33.725 37.118 30.265 1.00 0.00 O ATOM 151 CB THR A 9 35.451 35.752 28.218 1.00 0.00 C ATOM 152 OG1 THR A 9 34.613 35.950 27.112 1.00 0.00 O ATOM 153 CG2 THR A 9 36.726 35.127 27.639 1.00 0.00 C ATOM 0 H THR A 9 34.293 33.598 28.167 1.00 0.00 H new ATOM 0 HA THR A 9 35.571 35.070 30.274 1.00 0.00 H new ATOM 0 HB THR A 9 35.678 36.701 28.704 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.071 36.510 26.451 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.041 35.691 26.761 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.516 35.152 28.389 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.528 34.094 27.355 1.00 0.00 H new ATOM 161 N GLY A 10 32.443 35.383 29.982 1.00 0.00 N ATOM 162 CA GLY A 10 31.238 36.012 30.467 1.00 0.00 C ATOM 163 C GLY A 10 30.314 36.619 29.414 1.00 0.00 C ATOM 164 O GLY A 10 29.451 37.454 29.685 1.00 0.00 O ATOM 0 H GLY A 10 32.281 34.427 29.667 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.671 35.272 31.032 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.522 36.799 31.166 1.00 0.00 H new ATOM 168 N LYS A 11 30.648 36.326 28.158 1.00 0.00 N ATOM 169 CA LYS A 11 29.950 36.647 26.930 1.00 0.00 C ATOM 170 C LYS A 11 28.761 35.679 26.831 1.00 0.00 C ATOM 171 O LYS A 11 28.857 34.458 26.935 1.00 0.00 O ATOM 172 CB LYS A 11 30.846 36.607 25.698 1.00 0.00 C ATOM 173 CG LYS A 11 30.205 37.014 24.367 1.00 0.00 C ATOM 174 CD LYS A 11 31.296 37.355 23.339 1.00 0.00 C ATOM 175 CE LYS A 11 30.819 38.206 22.163 1.00 0.00 C ATOM 176 NZ LYS A 11 31.778 38.282 21.045 1.00 0.00 N ATOM 0 H LYS A 11 31.503 35.804 27.964 1.00 0.00 H new ATOM 0 HA LYS A 11 29.602 37.680 26.960 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.701 37.259 25.878 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.235 35.594 25.593 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.581 36.203 23.992 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.553 37.875 24.516 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.104 37.882 23.847 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.715 36.426 22.952 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.878 37.800 21.793 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.612 39.215 22.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.540 39.092 20.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.740 38.402 21.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.731 37.406 20.487 1.00 0.00 H new ATOM 190 N THR A 12 27.669 36.371 26.529 1.00 0.00 N ATOM 191 CA THR A 12 26.493 35.728 25.991 1.00 0.00 C ATOM 192 C THR A 12 26.412 36.280 24.566 1.00 0.00 C ATOM 193 O THR A 12 26.496 37.479 24.328 1.00 0.00 O ATOM 194 CB THR A 12 25.286 36.028 26.884 1.00 0.00 C ATOM 195 OG1 THR A 12 25.092 37.362 27.278 1.00 0.00 O ATOM 196 CG2 THR A 12 25.368 35.214 28.169 1.00 0.00 C ATOM 0 H THR A 12 27.581 37.380 26.651 1.00 0.00 H new ATOM 0 HA THR A 12 26.522 34.639 25.964 1.00 0.00 H new ATOM 0 HB THR A 12 24.447 35.766 26.239 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.292 37.424 27.841 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.504 35.436 28.796 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.377 34.151 27.927 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.281 35.472 28.705 1.00 0.00 H new ATOM 204 N ILE A 13 26.210 35.374 23.609 1.00 0.00 N ATOM 205 CA ILE A 13 25.689 35.727 22.304 1.00 0.00 C ATOM 206 C ILE A 13 24.210 35.333 22.305 1.00 0.00 C ATOM 207 O ILE A 13 23.871 34.276 22.842 1.00 0.00 O ATOM 208 CB ILE A 13 26.442 34.935 21.236 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.836 35.546 21.180 1.00 0.00 C ATOM 210 CG2 ILE A 13 25.835 34.932 19.835 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.819 34.436 20.802 1.00 0.00 C ATOM 0 H ILE A 13 26.405 34.379 23.724 1.00 0.00 H new ATOM 0 HA ILE A 13 25.808 36.790 22.093 1.00 0.00 H new ATOM 0 HB ILE A 13 26.413 33.885 21.528 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.870 36.352 20.447 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.102 35.980 22.144 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.460 34.337 19.169 1.00 0.00 H new ATOM 0 HG22 ILE A 13 24.834 34.502 19.873 1.00 0.00 H new ATOM 0 HG23 ILE A 13 25.777 35.954 19.461 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.828 34.845 20.754 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.782 33.646 21.553 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.547 34.025 19.830 1.00 0.00 H new ATOM 223 N THR A 14 23.385 36.240 21.795 1.00 0.00 N ATOM 224 CA THR A 14 22.051 35.931 21.323 1.00 0.00 C ATOM 225 C THR A 14 22.076 35.364 19.906 1.00 0.00 C ATOM 226 O THR A 14 22.562 36.002 18.966 1.00 0.00 O ATOM 227 CB THR A 14 21.330 37.271 21.456 1.00 0.00 C ATOM 228 OG1 THR A 14 19.945 37.045 21.293 1.00 0.00 O ATOM 229 CG2 THR A 14 21.642 38.358 20.419 1.00 0.00 C ATOM 0 H THR A 14 23.633 37.225 21.699 1.00 0.00 H new ATOM 0 HA THR A 14 21.544 35.147 21.885 1.00 0.00 H new ATOM 0 HB THR A 14 21.667 37.634 22.427 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.463 37.894 21.377 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.057 39.251 20.641 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.704 38.601 20.455 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.387 37.995 19.423 1.00 0.00 H new ATOM 237 N LEU A 15 21.665 34.117 19.722 1.00 0.00 N ATOM 238 CA LEU A 15 21.571 33.500 18.405 1.00 0.00 C ATOM 239 C LEU A 15 20.187 33.074 17.920 1.00 0.00 C ATOM 240 O LEU A 15 19.489 32.441 18.710 1.00 0.00 O ATOM 241 CB LEU A 15 22.438 32.233 18.345 1.00 0.00 C ATOM 242 CG LEU A 15 22.667 31.545 16.999 1.00 0.00 C ATOM 243 CD1 LEU A 15 23.267 32.575 16.048 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.636 30.366 17.097 1.00 0.00 C ATOM 0 H LEU A 15 21.386 33.501 20.486 1.00 0.00 H new ATOM 0 HA LEU A 15 21.901 34.310 17.754 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.416 32.486 18.754 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.992 31.499 19.016 1.00 0.00 H new ATOM 0 HG LEU A 15 21.710 31.158 16.649 1.00 0.00 H new ATOM 0 HD11 LEU A 15 23.443 32.114 15.076 1.00 0.00 H new ATOM 0 HD12 LEU A 15 22.576 33.410 15.934 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.211 32.938 16.453 1.00 0.00 H new ATOM 0 HD21 LEU A 15 23.761 29.915 16.113 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.601 30.718 17.461 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.237 29.623 17.788 1.00 0.00 H new ATOM 256 N GLU A 16 19.749 33.434 16.722 1.00 0.00 N ATOM 257 CA GLU A 16 18.532 32.890 16.149 1.00 0.00 C ATOM 258 C GLU A 16 18.789 31.503 15.542 1.00 0.00 C ATOM 259 O GLU A 16 19.800 31.212 14.904 1.00 0.00 O ATOM 260 CB GLU A 16 18.105 33.861 15.038 1.00 0.00 C ATOM 261 CG GLU A 16 16.614 33.815 14.745 1.00 0.00 C ATOM 262 CD GLU A 16 15.808 34.331 15.929 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.085 35.448 16.426 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.891 33.566 16.298 1.00 0.00 O ATOM 0 H GLU A 16 20.227 34.109 16.124 1.00 0.00 H new ATOM 0 HA GLU A 16 17.763 32.780 16.913 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.382 34.876 15.325 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.655 33.626 14.127 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.395 34.416 13.862 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.316 32.792 14.516 1.00 0.00 H new ATOM 271 N VAL A 17 17.799 30.619 15.666 1.00 0.00 N ATOM 272 CA VAL A 17 17.607 29.372 14.953 1.00 0.00 C ATOM 273 C VAL A 17 16.108 29.108 14.761 1.00 0.00 C ATOM 274 O VAL A 17 15.216 29.669 15.379 1.00 0.00 O ATOM 275 CB VAL A 17 18.322 28.248 15.702 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.844 28.210 15.718 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.759 28.227 17.129 1.00 0.00 C ATOM 0 H VAL A 17 17.044 30.780 16.333 1.00 0.00 H new ATOM 0 HA VAL A 17 18.045 29.427 13.956 1.00 0.00 H new ATOM 0 HB VAL A 17 18.110 27.350 15.122 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.180 27.348 16.294 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.217 28.132 14.697 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.226 29.123 16.175 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.245 27.436 17.700 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.947 29.188 17.608 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.685 28.043 17.094 1.00 0.00 H new ATOM 287 N GLU A 18 15.922 28.119 13.893 1.00 0.00 N ATOM 288 CA GLU A 18 14.773 27.230 13.833 1.00 0.00 C ATOM 289 C GLU A 18 15.256 25.890 14.393 1.00 0.00 C ATOM 290 O GLU A 18 16.435 25.553 14.275 1.00 0.00 O ATOM 291 CB GLU A 18 14.399 27.284 12.356 1.00 0.00 C ATOM 292 CG GLU A 18 12.908 27.055 12.087 1.00 0.00 C ATOM 293 CD GLU A 18 12.360 27.463 10.720 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.092 27.392 9.716 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.193 27.897 10.780 1.00 0.00 O ATOM 0 H GLU A 18 16.611 27.906 13.172 1.00 0.00 H new ATOM 0 HA GLU A 18 13.882 27.467 14.415 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.686 28.255 11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.976 26.532 11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.701 25.994 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.344 27.593 12.848 1.00 0.00 H new ATOM 302 N PRO A 19 14.409 25.118 15.061 1.00 0.00 N ATOM 303 CA PRO A 19 14.842 23.921 15.756 1.00 0.00 C ATOM 304 C PRO A 19 15.131 22.795 14.758 1.00 0.00 C ATOM 305 O PRO A 19 15.799 21.849 15.161 1.00 0.00 O ATOM 306 CB PRO A 19 13.767 23.524 16.764 1.00 0.00 C ATOM 307 CG PRO A 19 12.530 24.234 16.220 1.00 0.00 C ATOM 308 CD PRO A 19 13.049 25.446 15.431 1.00 0.00 C ATOM 0 HA PRO A 19 15.771 24.115 16.292 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.629 22.444 16.807 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.014 23.854 17.773 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.950 23.570 15.579 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.873 24.549 17.031 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.437 25.630 14.548 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.015 26.351 16.037 1.00 0.00 H new ATOM 316 N SER A 20 14.551 22.747 13.551 1.00 0.00 N ATOM 317 CA SER A 20 14.847 21.810 12.500 1.00 0.00 C ATOM 318 C SER A 20 16.247 21.829 11.873 1.00 0.00 C ATOM 319 O SER A 20 16.630 20.865 11.217 1.00 0.00 O ATOM 320 CB SER A 20 13.786 22.025 11.419 1.00 0.00 C ATOM 321 OG SER A 20 13.365 23.355 11.229 1.00 0.00 O ATOM 0 H SER A 20 13.822 23.408 13.283 1.00 0.00 H new ATOM 0 HA SER A 20 14.831 20.827 12.970 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.177 21.649 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.914 21.420 11.667 1.00 0.00 H new ATOM 0 HG SER A 20 12.690 23.386 10.519 1.00 0.00 H new ATOM 327 N ASP A 21 17.019 22.848 12.226 1.00 0.00 N ATOM 328 CA ASP A 21 18.426 23.082 11.974 1.00 0.00 C ATOM 329 C ASP A 21 19.302 22.086 12.742 1.00 0.00 C ATOM 330 O ASP A 21 18.873 21.469 13.721 1.00 0.00 O ATOM 331 CB ASP A 21 18.793 24.524 12.310 1.00 0.00 C ATOM 332 CG ASP A 21 20.006 25.036 11.553 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.740 24.231 10.929 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.102 26.279 11.461 1.00 0.00 O ATOM 0 H ASP A 21 16.621 23.620 12.760 1.00 0.00 H new ATOM 0 HA ASP A 21 18.615 22.923 10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.941 25.167 12.091 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.984 24.601 13.380 1.00 0.00 H new ATOM 339 N THR A 22 20.567 21.974 12.358 1.00 0.00 N ATOM 340 CA THR A 22 21.523 20.926 12.668 1.00 0.00 C ATOM 341 C THR A 22 22.718 21.654 13.298 1.00 0.00 C ATOM 342 O THR A 22 23.117 22.768 12.978 1.00 0.00 O ATOM 343 CB THR A 22 21.935 20.115 11.435 1.00 0.00 C ATOM 344 OG1 THR A 22 22.247 21.022 10.403 1.00 0.00 O ATOM 345 CG2 THR A 22 20.800 19.322 10.792 1.00 0.00 C ATOM 0 H THR A 22 20.988 22.687 11.763 1.00 0.00 H new ATOM 0 HA THR A 22 21.091 20.186 13.342 1.00 0.00 H new ATOM 0 HB THR A 22 22.730 19.458 11.786 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.516 20.526 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.180 18.778 9.927 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.395 18.615 11.516 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.013 20.006 10.473 1.00 0.00 H new ATOM 353 N ILE A 23 23.313 20.880 14.205 1.00 0.00 N ATOM 354 CA ILE A 23 24.356 21.253 15.138 1.00 0.00 C ATOM 355 C ILE A 23 25.589 21.844 14.451 1.00 0.00 C ATOM 356 O ILE A 23 26.184 22.831 14.881 1.00 0.00 O ATOM 357 CB ILE A 23 24.738 20.141 16.131 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.660 19.419 16.931 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.950 20.466 17.006 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.898 20.208 17.999 1.00 0.00 C ATOM 0 H ILE A 23 23.052 19.899 14.308 1.00 0.00 H new ATOM 0 HA ILE A 23 23.910 22.047 15.737 1.00 0.00 H new ATOM 0 HB ILE A 23 25.005 19.386 15.392 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.930 19.025 16.224 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.126 18.563 17.419 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.150 19.630 17.676 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.820 20.640 16.373 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.745 21.361 17.594 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.167 19.558 18.479 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.599 20.580 18.746 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.385 21.049 17.533 1.00 0.00 H new ATOM 372 N GLU A 24 26.039 21.129 13.412 1.00 0.00 N ATOM 373 CA GLU A 24 27.210 21.571 12.688 1.00 0.00 C ATOM 374 C GLU A 24 27.025 22.875 11.903 1.00 0.00 C ATOM 375 O GLU A 24 27.982 23.628 11.813 1.00 0.00 O ATOM 376 CB GLU A 24 27.649 20.436 11.751 1.00 0.00 C ATOM 377 CG GLU A 24 26.699 19.982 10.640 1.00 0.00 C ATOM 378 CD GLU A 24 26.038 18.658 11.016 1.00 0.00 C ATOM 379 OE1 GLU A 24 25.110 18.750 11.863 1.00 0.00 O ATOM 380 OE2 GLU A 24 26.511 17.550 10.698 1.00 0.00 O ATOM 0 H GLU A 24 25.615 20.267 13.070 1.00 0.00 H new ATOM 0 HA GLU A 24 27.977 21.802 13.427 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.584 20.741 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.872 19.566 12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 24 25.936 20.742 10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.249 19.869 9.706 1.00 0.00 H new ATOM 387 N ASN A 25 25.844 23.070 11.323 1.00 0.00 N ATOM 388 CA ASN A 25 25.446 24.210 10.517 1.00 0.00 C ATOM 389 C ASN A 25 25.434 25.386 11.505 1.00 0.00 C ATOM 390 O ASN A 25 25.858 26.489 11.162 1.00 0.00 O ATOM 391 CB ASN A 25 24.023 23.988 10.003 1.00 0.00 C ATOM 392 CG ASN A 25 23.566 25.071 9.051 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.326 25.522 8.190 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.335 25.556 9.203 1.00 0.00 N ATOM 0 H ASN A 25 25.092 22.387 11.413 1.00 0.00 H new ATOM 0 HA ASN A 25 26.104 24.373 9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.970 23.023 9.500 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.339 23.943 10.850 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.007 26.312 8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.720 25.171 9.920 1.00 0.00 H new ATOM 401 N VAL A 26 24.970 25.194 12.729 1.00 0.00 N ATOM 402 CA VAL A 26 24.915 26.199 13.787 1.00 0.00 C ATOM 403 C VAL A 26 26.319 26.523 14.286 1.00 0.00 C ATOM 404 O VAL A 26 26.678 27.690 14.351 1.00 0.00 O ATOM 405 CB VAL A 26 23.845 25.821 14.818 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.897 26.821 15.969 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.420 25.781 14.279 1.00 0.00 C ATOM 0 H VAL A 26 24.603 24.291 13.030 1.00 0.00 H new ATOM 0 HA VAL A 26 24.567 27.164 13.419 1.00 0.00 H new ATOM 0 HB VAL A 26 24.081 24.805 15.133 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.140 26.563 16.710 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.883 26.791 16.432 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.705 27.824 15.588 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.735 25.505 15.081 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.149 26.764 13.893 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.355 25.046 13.477 1.00 0.00 H new ATOM 417 N LYS A 27 27.195 25.523 14.416 1.00 0.00 N ATOM 418 CA LYS A 27 28.603 25.746 14.638 1.00 0.00 C ATOM 419 C LYS A 27 29.334 26.607 13.595 1.00 0.00 C ATOM 420 O LYS A 27 30.232 27.373 13.914 1.00 0.00 O ATOM 421 CB LYS A 27 29.279 24.407 14.943 1.00 0.00 C ATOM 422 CG LYS A 27 28.896 23.797 16.296 1.00 0.00 C ATOM 423 CD LYS A 27 29.643 22.501 16.593 1.00 0.00 C ATOM 424 CE LYS A 27 29.715 21.368 15.577 1.00 0.00 C ATOM 425 NZ LYS A 27 30.357 20.117 15.998 1.00 0.00 N ATOM 0 H LYS A 27 26.935 24.538 14.368 1.00 0.00 H new ATOM 0 HA LYS A 27 28.684 26.393 15.511 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.026 23.698 14.154 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.360 24.545 14.913 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.102 24.519 17.086 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.823 23.604 16.312 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.670 22.776 16.833 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.205 22.085 17.500 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.698 21.134 15.262 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.244 21.738 14.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.719 19.614 15.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.145 20.331 16.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.662 19.518 16.489 1.00 0.00 H new ATOM 439 N ALA A 28 28.854 26.572 12.353 1.00 0.00 N ATOM 440 CA ALA A 28 29.245 27.530 11.343 1.00 0.00 C ATOM 441 C ALA A 28 28.661 28.939 11.488 1.00 0.00 C ATOM 442 O ALA A 28 29.414 29.899 11.580 1.00 0.00 O ATOM 443 CB ALA A 28 28.914 26.973 9.948 1.00 0.00 C ATOM 0 H ALA A 28 28.184 25.875 12.027 1.00 0.00 H new ATOM 0 HA ALA A 28 30.318 27.660 11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.209 27.696 9.188 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.455 26.040 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.842 26.787 9.875 1.00 0.00 H new ATOM 449 N LYS A 29 27.382 29.062 11.844 1.00 0.00 N ATOM 450 CA LYS A 29 26.791 30.357 12.094 1.00 0.00 C ATOM 451 C LYS A 29 27.468 31.000 13.309 1.00 0.00 C ATOM 452 O LYS A 29 27.666 32.215 13.248 1.00 0.00 O ATOM 453 CB LYS A 29 25.280 30.148 12.193 1.00 0.00 C ATOM 454 CG LYS A 29 24.893 29.748 10.773 1.00 0.00 C ATOM 455 CD LYS A 29 23.374 29.695 10.602 1.00 0.00 C ATOM 456 CE LYS A 29 22.637 28.420 11.000 1.00 0.00 C ATOM 457 NZ LYS A 29 21.181 28.621 10.872 1.00 0.00 N ATOM 0 H LYS A 29 26.744 28.275 11.963 1.00 0.00 H new ATOM 0 HA LYS A 29 26.953 31.076 11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.027 29.371 12.914 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.767 31.056 12.510 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.316 30.461 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.321 28.773 10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.948 30.517 11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.152 29.891 9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.956 27.592 10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.887 28.150 12.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.699 27.700 10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.844 29.222 11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.973 29.083 9.964 1.00 0.00 H new ATOM 471 N ILE A 30 27.954 30.323 14.337 1.00 0.00 N ATOM 472 CA ILE A 30 28.849 30.747 15.408 1.00 0.00 C ATOM 473 C ILE A 30 30.207 31.166 14.841 1.00 0.00 C ATOM 474 O ILE A 30 30.737 32.168 15.317 1.00 0.00 O ATOM 475 CB ILE A 30 28.798 29.776 16.587 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.366 29.793 17.130 1.00 0.00 C ATOM 477 CG2 ILE A 30 29.702 30.143 17.760 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.024 28.545 17.933 1.00 0.00 C ATOM 0 H ILE A 30 27.700 29.342 14.457 1.00 0.00 H new ATOM 0 HA ILE A 30 28.509 31.669 15.879 1.00 0.00 H new ATOM 0 HB ILE A 30 29.134 28.812 16.205 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.232 30.673 17.760 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.668 29.887 16.298 1.00 0.00 H new ATOM 0 HG21 ILE A 30 29.598 29.396 18.547 1.00 0.00 H new ATOM 0 HG22 ILE A 30 30.739 30.174 17.425 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.416 31.121 18.147 1.00 0.00 H new ATOM 0 HD11 ILE A 30 25.997 28.613 18.292 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.129 27.664 17.299 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.701 28.463 18.783 1.00 0.00 H new ATOM 490 N GLN A 31 30.750 30.563 13.792 1.00 0.00 N ATOM 491 CA GLN A 31 32.096 30.923 13.369 1.00 0.00 C ATOM 492 C GLN A 31 31.995 32.304 12.712 1.00 0.00 C ATOM 493 O GLN A 31 32.937 33.056 12.936 1.00 0.00 O ATOM 494 CB GLN A 31 32.600 29.779 12.478 1.00 0.00 C ATOM 495 CG GLN A 31 33.870 30.021 11.669 1.00 0.00 C ATOM 496 CD GLN A 31 33.608 30.296 10.196 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.591 30.867 9.801 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.599 29.886 9.411 1.00 0.00 N ATOM 0 H GLN A 31 30.295 29.842 13.232 1.00 0.00 H new ATOM 0 HA GLN A 31 32.831 31.025 14.167 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.766 28.908 13.112 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.803 29.519 11.782 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.409 30.866 12.098 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.519 29.150 11.758 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.411 29.419 9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.548 30.038 8.404 1.00 0.00 H new ATOM 507 N ASP A 32 30.961 32.625 11.939 1.00 0.00 N ATOM 508 CA ASP A 32 30.589 33.949 11.482 1.00 0.00 C ATOM 509 C ASP A 32 30.752 35.129 12.429 1.00 0.00 C ATOM 510 O ASP A 32 31.212 36.212 12.081 1.00 0.00 O ATOM 511 CB ASP A 32 29.325 33.804 10.635 1.00 0.00 C ATOM 512 CG ASP A 32 28.539 35.103 10.512 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.923 35.875 9.598 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.564 35.314 11.258 1.00 0.00 O ATOM 0 H ASP A 32 30.319 31.911 11.594 1.00 0.00 H new ATOM 0 HA ASP A 32 31.372 34.343 10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.599 33.456 9.639 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.685 33.039 11.075 1.00 0.00 H new ATOM 519 N LYS A 33 30.375 34.853 13.677 1.00 0.00 N ATOM 520 CA LYS A 33 30.590 35.723 14.811 1.00 0.00 C ATOM 521 C LYS A 33 31.997 35.650 15.435 1.00 0.00 C ATOM 522 O LYS A 33 32.748 36.602 15.244 1.00 0.00 O ATOM 523 CB LYS A 33 29.558 35.213 15.820 1.00 0.00 C ATOM 524 CG LYS A 33 28.078 35.377 15.486 1.00 0.00 C ATOM 525 CD LYS A 33 27.566 36.815 15.509 1.00 0.00 C ATOM 526 CE LYS A 33 26.059 37.016 15.424 1.00 0.00 C ATOM 527 NZ LYS A 33 25.734 38.431 15.604 1.00 0.00 N ATOM 0 H LYS A 33 29.897 33.987 13.925 1.00 0.00 H new ATOM 0 HA LYS A 33 30.494 36.767 14.514 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.747 34.152 15.981 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.743 35.717 16.768 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.896 34.958 14.496 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.494 34.788 16.193 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.919 37.285 16.427 1.00 0.00 H new ATOM 0 HD3 LYS A 33 28.026 37.351 14.679 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.691 36.670 14.458 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.560 36.419 16.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.704 38.561 15.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.070 38.749 16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.197 38.991 14.860 1.00 0.00 H new ATOM 541 N GLU A 34 32.323 34.569 16.132 1.00 0.00 N ATOM 542 CA GLU A 34 33.525 34.461 16.936 1.00 0.00 C ATOM 543 C GLU A 34 34.780 34.038 16.175 1.00 0.00 C ATOM 544 O GLU A 34 35.857 34.411 16.640 1.00 0.00 O ATOM 545 CB GLU A 34 33.152 33.407 17.982 1.00 0.00 C ATOM 546 CG GLU A 34 32.129 33.907 19.004 1.00 0.00 C ATOM 547 CD GLU A 34 32.652 35.158 19.698 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.740 35.216 20.310 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.038 36.214 19.429 1.00 0.00 O ATOM 0 H GLU A 34 31.745 33.729 16.152 1.00 0.00 H new ATOM 0 HA GLU A 34 33.799 35.435 17.340 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.751 32.529 17.476 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.054 33.089 18.506 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.184 34.125 18.507 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.929 33.129 19.741 1.00 0.00 H new ATOM 556 N GLY A 35 34.677 33.427 15.001 1.00 0.00 N ATOM 557 CA GLY A 35 35.723 33.352 13.998 1.00 0.00 C ATOM 558 C GLY A 35 36.402 31.986 14.016 1.00 0.00 C ATOM 559 O GLY A 35 37.241 31.768 13.136 1.00 0.00 O ATOM 0 H GLY A 35 33.823 32.950 14.713 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.299 33.538 13.011 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.462 34.132 14.180 1.00 0.00 H new ATOM 563 N ILE A 36 36.107 31.162 15.019 1.00 0.00 N ATOM 564 CA ILE A 36 36.849 29.948 15.257 1.00 0.00 C ATOM 565 C ILE A 36 36.272 28.837 14.384 1.00 0.00 C ATOM 566 O ILE A 36 35.066 28.608 14.301 1.00 0.00 O ATOM 567 CB ILE A 36 37.031 29.555 16.728 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.155 30.694 17.733 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.198 28.598 16.918 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.270 30.444 18.954 1.00 0.00 C ATOM 0 H ILE A 36 35.349 31.325 15.681 1.00 0.00 H new ATOM 0 HA ILE A 36 37.881 30.138 14.961 1.00 0.00 H new ATOM 0 HB ILE A 36 36.083 29.068 16.955 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.194 30.796 18.047 1.00 0.00 H new ATOM 0 HG13 ILE A 36 36.871 31.634 17.260 1.00 0.00 H new ATOM 0 HG21 ILE A 36 38.293 28.345 17.974 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.022 27.690 16.341 1.00 0.00 H new ATOM 0 HG23 ILE A 36 39.117 29.073 16.575 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.377 31.271 19.656 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.229 30.367 18.639 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.572 29.516 19.439 1.00 0.00 H new ATOM 582 N PRO A 37 37.105 28.009 13.751 1.00 0.00 N ATOM 583 CA PRO A 37 36.662 26.840 13.024 1.00 0.00 C ATOM 584 C PRO A 37 35.832 25.876 13.866 1.00 0.00 C ATOM 585 O PRO A 37 36.195 25.628 15.023 1.00 0.00 O ATOM 586 CB PRO A 37 37.968 26.124 12.673 1.00 0.00 C ATOM 587 CG PRO A 37 39.012 27.211 12.432 1.00 0.00 C ATOM 588 CD PRO A 37 38.480 28.274 13.384 1.00 0.00 C ATOM 0 HA PRO A 37 36.035 27.137 12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.277 25.463 13.483 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.843 25.504 11.786 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.022 26.888 12.685 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.036 27.549 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.099 28.305 14.281 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.551 29.255 12.914 1.00 0.00 H new ATOM 596 N PRO A 38 34.779 25.307 13.290 1.00 0.00 N ATOM 597 CA PRO A 38 33.970 24.296 13.943 1.00 0.00 C ATOM 598 C PRO A 38 34.702 23.109 14.590 1.00 0.00 C ATOM 599 O PRO A 38 34.281 22.574 15.601 1.00 0.00 O ATOM 600 CB PRO A 38 32.975 23.718 12.937 1.00 0.00 C ATOM 601 CG PRO A 38 33.373 24.419 11.638 1.00 0.00 C ATOM 602 CD PRO A 38 34.415 25.508 11.904 1.00 0.00 C ATOM 0 HA PRO A 38 33.510 24.840 14.768 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.062 22.634 12.857 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.944 23.935 13.216 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.774 23.690 10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.491 24.859 11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.277 25.406 11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.004 26.504 11.739 1.00 0.00 H new ATOM 610 N ASP A 39 35.886 22.733 14.133 1.00 0.00 N ATOM 611 CA ASP A 39 36.820 21.734 14.624 1.00 0.00 C ATOM 612 C ASP A 39 37.030 21.783 16.146 1.00 0.00 C ATOM 613 O ASP A 39 37.260 20.784 16.820 1.00 0.00 O ATOM 614 CB ASP A 39 38.097 21.771 13.795 1.00 0.00 C ATOM 615 CG ASP A 39 39.354 21.058 14.266 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.021 21.474 15.238 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.739 19.988 13.747 1.00 0.00 O ATOM 0 H ASP A 39 36.262 23.182 13.298 1.00 0.00 H new ATOM 0 HA ASP A 39 36.379 20.747 14.481 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.852 21.370 12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.358 22.820 13.656 1.00 0.00 H new ATOM 622 N GLN A 40 37.074 22.993 16.690 1.00 0.00 N ATOM 623 CA GLN A 40 37.417 23.327 18.053 1.00 0.00 C ATOM 624 C GLN A 40 36.145 23.525 18.875 1.00 0.00 C ATOM 625 O GLN A 40 36.225 23.788 20.072 1.00 0.00 O ATOM 626 CB GLN A 40 38.455 24.454 18.143 1.00 0.00 C ATOM 627 CG GLN A 40 39.816 24.213 17.492 1.00 0.00 C ATOM 628 CD GLN A 40 40.200 24.891 16.180 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.435 26.089 16.155 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.434 24.128 15.116 1.00 0.00 N ATOM 0 H GLN A 40 36.853 23.824 16.142 1.00 0.00 H new ATOM 0 HA GLN A 40 37.939 22.488 18.513 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.021 25.348 17.694 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.621 24.675 19.197 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.573 24.490 18.226 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.906 23.139 17.332 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.233 23.129 15.151 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.815 24.542 14.265 1.00 0.00 H new ATOM 639 N GLN A 41 34.910 23.481 18.375 1.00 0.00 N ATOM 640 CA GLN A 41 33.700 23.850 19.086 1.00 0.00 C ATOM 641 C GLN A 41 32.926 22.680 19.683 1.00 0.00 C ATOM 642 O GLN A 41 32.564 21.766 18.947 1.00 0.00 O ATOM 643 CB GLN A 41 32.898 24.684 18.088 1.00 0.00 C ATOM 644 CG GLN A 41 33.643 25.846 17.431 1.00 0.00 C ATOM 645 CD GLN A 41 34.059 27.013 18.322 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.869 26.931 19.244 1.00 0.00 O ATOM 647 NE2 GLN A 41 33.496 28.176 18.005 1.00 0.00 N ATOM 0 H GLN A 41 34.725 23.173 17.421 1.00 0.00 H new ATOM 0 HA GLN A 41 33.938 24.419 19.985 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.534 24.022 17.302 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.022 25.083 18.600 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.541 25.446 16.960 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.014 26.240 16.633 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.826 28.226 17.237 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.734 29.018 18.530 1.00 0.00 H new ATOM 656 N ARG A 42 32.761 22.610 21.008 1.00 0.00 N ATOM 657 CA ARG A 42 31.806 21.782 21.705 1.00 0.00 C ATOM 658 C ARG A 42 30.735 22.639 22.386 1.00 0.00 C ATOM 659 O ARG A 42 30.985 23.344 23.363 1.00 0.00 O ATOM 660 CB ARG A 42 32.448 20.700 22.586 1.00 0.00 C ATOM 661 CG ARG A 42 31.332 19.766 23.055 1.00 0.00 C ATOM 662 CD ARG A 42 31.739 18.979 24.304 1.00 0.00 C ATOM 663 NE ARG A 42 33.146 18.583 24.307 1.00 0.00 N ATOM 664 CZ ARG A 42 33.746 17.721 23.470 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.102 17.153 22.436 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.048 17.481 23.633 1.00 0.00 N ATOM 0 H ARG A 42 33.329 23.166 21.647 1.00 0.00 H new ATOM 0 HA ARG A 42 31.278 21.186 20.961 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.201 20.146 22.025 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.954 21.151 23.439 1.00 0.00 H new ATOM 0 HG2 ARG A 42 30.436 20.348 23.268 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.078 19.072 22.254 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.538 19.585 25.188 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.118 18.087 24.381 1.00 0.00 H new ATOM 0 HE ARG A 42 33.736 19.007 25.022 1.00 0.00 H new ATOM 0 HH11 ARG A 42 32.121 17.372 22.264 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.595 16.503 21.823 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.563 17.948 24.379 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.528 16.831 23.011 1.00 0.00 H new ATOM 680 N LEU A 43 29.488 22.531 21.929 1.00 0.00 N ATOM 681 CA LEU A 43 28.390 23.024 22.731 1.00 0.00 C ATOM 682 C LEU A 43 27.996 21.968 23.757 1.00 0.00 C ATOM 683 O LEU A 43 27.916 20.791 23.402 1.00 0.00 O ATOM 684 CB LEU A 43 27.169 23.338 21.857 1.00 0.00 C ATOM 685 CG LEU A 43 27.316 24.531 20.915 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.476 24.333 19.651 1.00 0.00 C ATOM 687 CD2 LEU A 43 26.995 25.886 21.542 1.00 0.00 C ATOM 0 H LEU A 43 29.226 22.118 21.034 1.00 0.00 H new ATOM 0 HA LEU A 43 28.715 23.938 23.228 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.935 22.455 21.262 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.315 23.518 22.510 1.00 0.00 H new ATOM 0 HG LEU A 43 28.377 24.560 20.665 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.597 25.195 18.995 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.806 23.433 19.132 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.426 24.229 19.924 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.127 26.672 20.798 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.963 25.889 21.893 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.665 26.066 22.383 1.00 0.00 H new ATOM 699 N ILE A 44 27.605 22.312 24.983 1.00 0.00 N ATOM 700 CA ILE A 44 27.195 21.349 25.993 1.00 0.00 C ATOM 701 C ILE A 44 25.900 21.900 26.603 1.00 0.00 C ATOM 702 O ILE A 44 25.683 23.109 26.616 1.00 0.00 O ATOM 703 CB ILE A 44 28.319 21.051 26.987 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.943 20.007 28.034 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.746 22.379 27.617 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.961 19.907 29.174 1.00 0.00 C ATOM 0 H ILE A 44 27.565 23.280 25.303 1.00 0.00 H new ATOM 0 HA ILE A 44 26.990 20.365 25.572 1.00 0.00 H new ATOM 0 HB ILE A 44 29.156 20.600 26.453 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.965 20.252 28.448 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.850 19.034 27.551 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.549 22.201 28.333 1.00 0.00 H new ATOM 0 HG22 ILE A 44 29.098 23.055 26.838 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.896 22.828 28.130 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.637 19.148 29.886 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.935 19.633 28.769 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.037 20.870 29.680 1.00 0.00 H new ATOM 718 N PHE A 45 24.949 21.034 26.951 1.00 0.00 N ATOM 719 CA PHE A 45 23.608 21.406 27.346 1.00 0.00 C ATOM 720 C PHE A 45 23.281 20.529 28.555 1.00 0.00 C ATOM 721 O PHE A 45 22.719 19.446 28.454 1.00 0.00 O ATOM 722 CB PHE A 45 22.683 21.257 26.145 1.00 0.00 C ATOM 723 CG PHE A 45 21.221 21.569 26.367 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.702 22.776 26.842 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.302 20.588 25.977 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.327 23.029 26.929 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.936 20.815 26.110 1.00 0.00 C ATOM 728 CZ PHE A 45 18.414 22.030 26.598 1.00 0.00 C ATOM 0 H PHE A 45 25.104 20.026 26.963 1.00 0.00 H new ATOM 0 HA PHE A 45 23.489 22.446 27.649 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.052 21.905 25.350 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.760 20.232 25.782 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.390 23.547 27.156 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.655 19.651 25.571 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.975 23.997 27.252 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.249 20.030 25.829 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.350 22.180 26.711 1.00 0.00 H new ATOM 738 N ALA A 46 23.737 21.035 29.704 1.00 0.00 N ATOM 739 CA ALA A 46 23.460 20.743 31.095 1.00 0.00 C ATOM 740 C ALA A 46 24.276 19.583 31.660 1.00 0.00 C ATOM 741 O ALA A 46 23.880 18.889 32.587 1.00 0.00 O ATOM 742 CB ALA A 46 21.985 20.538 31.436 1.00 0.00 C ATOM 0 H ALA A 46 24.426 21.786 29.656 1.00 0.00 H new ATOM 0 HA ALA A 46 23.779 21.664 31.583 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.884 20.325 32.500 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.426 21.441 31.192 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.591 19.701 30.859 1.00 0.00 H new ATOM 748 N GLY A 47 25.444 19.295 31.085 1.00 0.00 N ATOM 749 CA GLY A 47 26.267 18.172 31.494 1.00 0.00 C ATOM 750 C GLY A 47 26.363 17.062 30.439 1.00 0.00 C ATOM 751 O GLY A 47 27.131 16.111 30.592 1.00 0.00 O ATOM 0 H GLY A 47 25.842 19.840 30.320 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.270 18.532 31.722 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.862 17.752 32.415 1.00 0.00 H new ATOM 755 N LYS A 48 25.659 17.267 29.336 1.00 0.00 N ATOM 756 CA LYS A 48 25.613 16.421 28.156 1.00 0.00 C ATOM 757 C LYS A 48 26.063 17.276 26.976 1.00 0.00 C ATOM 758 O LYS A 48 25.581 18.380 26.707 1.00 0.00 O ATOM 759 CB LYS A 48 24.115 16.190 27.958 1.00 0.00 C ATOM 760 CG LYS A 48 23.858 15.179 26.838 1.00 0.00 C ATOM 761 CD LYS A 48 22.388 14.851 26.635 1.00 0.00 C ATOM 762 CE LYS A 48 21.656 14.029 27.694 1.00 0.00 C ATOM 763 NZ LYS A 48 20.279 13.691 27.322 1.00 0.00 N ATOM 0 H LYS A 48 25.063 18.088 29.237 1.00 0.00 H new ATOM 0 HA LYS A 48 26.211 15.513 28.239 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.673 15.829 28.887 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.626 17.135 27.719 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.265 15.571 25.906 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.399 14.259 27.060 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.853 15.794 26.524 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.298 14.320 25.687 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.211 13.109 27.876 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.645 14.586 28.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.841 13.134 28.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.735 14.565 27.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.283 13.134 26.444 1.00 0.00 H new ATOM 777 N GLN A 49 26.895 16.623 26.166 1.00 0.00 N ATOM 778 CA GLN A 49 27.565 16.930 24.926 1.00 0.00 C ATOM 779 C GLN A 49 26.528 16.918 23.792 1.00 0.00 C ATOM 780 O GLN A 49 25.839 15.911 23.648 1.00 0.00 O ATOM 781 CB GLN A 49 28.588 15.830 24.628 1.00 0.00 C ATOM 782 CG GLN A 49 29.503 15.365 25.762 1.00 0.00 C ATOM 783 CD GLN A 49 28.834 14.317 26.634 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.631 14.079 26.549 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.581 13.627 27.493 1.00 0.00 N ATOM 0 H GLN A 49 27.155 15.675 26.438 1.00 0.00 H new ATOM 0 HA GLN A 49 28.053 17.902 25.001 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.043 14.960 24.262 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.221 16.177 23.811 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.422 14.956 25.343 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.786 16.221 26.375 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.580 13.819 27.569 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.155 12.906 28.075 1.00 0.00 H new ATOM 794 N LEU A 50 26.450 17.961 22.984 1.00 0.00 N ATOM 795 CA LEU A 50 25.688 17.928 21.749 1.00 0.00 C ATOM 796 C LEU A 50 26.658 17.533 20.634 1.00 0.00 C ATOM 797 O LEU A 50 27.818 17.951 20.635 1.00 0.00 O ATOM 798 CB LEU A 50 25.144 19.269 21.274 1.00 0.00 C ATOM 799 CG LEU A 50 24.179 20.096 22.137 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.824 21.462 21.574 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.861 19.424 22.514 1.00 0.00 C ATOM 0 H LEU A 50 26.912 18.852 23.165 1.00 0.00 H new ATOM 0 HA LEU A 50 24.853 17.256 21.947 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.005 19.904 21.065 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.643 19.088 20.323 1.00 0.00 H new ATOM 0 HG LEU A 50 24.792 20.200 23.033 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.139 21.969 22.254 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.731 22.057 21.463 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.347 21.342 20.601 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.266 20.105 23.122 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.310 19.171 21.608 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.065 18.516 23.081 1.00 0.00 H new ATOM 813 N GLU A 51 26.285 16.581 19.791 1.00 0.00 N ATOM 814 CA GLU A 51 27.059 15.761 18.870 1.00 0.00 C ATOM 815 C GLU A 51 26.352 15.712 17.508 1.00 0.00 C ATOM 816 O GLU A 51 25.129 15.757 17.395 1.00 0.00 O ATOM 817 CB GLU A 51 27.365 14.387 19.455 1.00 0.00 C ATOM 818 CG GLU A 51 28.212 13.430 18.601 1.00 0.00 C ATOM 819 CD GLU A 51 29.679 13.824 18.520 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.356 13.958 19.562 1.00 0.00 O ATOM 821 OE2 GLU A 51 30.106 14.148 17.388 1.00 0.00 O ATOM 0 H GLU A 51 25.297 16.333 19.730 1.00 0.00 H new ATOM 0 HA GLU A 51 28.036 16.218 18.710 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.876 14.532 20.407 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.417 13.895 19.674 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.137 12.424 19.014 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.798 13.392 17.593 1.00 0.00 H new ATOM 828 N ASP A 52 27.215 15.658 16.499 1.00 0.00 N ATOM 829 CA ASP A 52 26.771 15.956 15.151 1.00 0.00 C ATOM 830 C ASP A 52 26.138 14.727 14.517 1.00 0.00 C ATOM 831 O ASP A 52 26.507 13.583 14.767 1.00 0.00 O ATOM 832 CB ASP A 52 28.051 16.347 14.413 1.00 0.00 C ATOM 833 CG ASP A 52 28.800 17.564 14.937 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.687 17.844 16.147 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.681 18.033 14.183 1.00 0.00 O ATOM 0 H ASP A 52 28.202 15.416 16.588 1.00 0.00 H new ATOM 0 HA ASP A 52 26.016 16.742 15.120 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.730 15.495 14.435 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.799 16.527 13.368 1.00 0.00 H new ATOM 840 N GLY A 53 25.115 14.973 13.702 1.00 0.00 N ATOM 841 CA GLY A 53 24.212 13.934 13.242 1.00 0.00 C ATOM 842 C GLY A 53 22.766 14.028 13.736 1.00 0.00 C ATOM 843 O GLY A 53 22.002 13.125 13.399 1.00 0.00 O ATOM 0 H GLY A 53 24.893 15.902 13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.203 13.946 12.152 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.616 12.969 13.547 1.00 0.00 H new ATOM 847 N ARG A 54 22.400 15.080 14.464 1.00 0.00 N ATOM 848 CA ARG A 54 21.053 15.265 14.964 1.00 0.00 C ATOM 849 C ARG A 54 20.435 16.615 14.566 1.00 0.00 C ATOM 850 O ARG A 54 21.074 17.422 13.895 1.00 0.00 O ATOM 851 CB ARG A 54 20.868 14.843 16.423 1.00 0.00 C ATOM 852 CG ARG A 54 20.927 13.321 16.566 1.00 0.00 C ATOM 853 CD ARG A 54 20.825 12.829 18.010 1.00 0.00 C ATOM 854 NE ARG A 54 22.067 12.242 18.521 1.00 0.00 N ATOM 855 CZ ARG A 54 22.277 11.700 19.726 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.384 11.715 20.722 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.480 11.153 19.911 1.00 0.00 N ATOM 0 H ARG A 54 23.040 15.831 14.722 1.00 0.00 H new ATOM 0 HA ARG A 54 20.434 14.543 14.432 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.643 15.300 17.038 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.910 15.210 16.793 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.118 12.880 15.984 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.862 12.962 16.135 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.538 13.664 18.650 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.029 12.088 18.077 1.00 0.00 H new ATOM 0 HE ARG A 54 22.864 12.247 17.884 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.476 12.160 20.586 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.611 11.282 21.617 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.168 11.167 19.158 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.712 10.721 20.805 1.00 0.00 H new ATOM 871 N THR A 55 19.180 16.903 14.914 1.00 0.00 N ATOM 872 CA THR A 55 18.776 18.295 14.964 1.00 0.00 C ATOM 873 C THR A 55 18.881 18.845 16.392 1.00 0.00 C ATOM 874 O THR A 55 19.011 18.059 17.325 1.00 0.00 O ATOM 875 CB THR A 55 17.387 18.343 14.334 1.00 0.00 C ATOM 876 OG1 THR A 55 16.451 17.632 15.118 1.00 0.00 O ATOM 877 CG2 THR A 55 17.251 17.827 12.903 1.00 0.00 C ATOM 0 H THR A 55 18.460 16.222 15.154 1.00 0.00 H new ATOM 0 HA THR A 55 19.432 18.959 14.401 1.00 0.00 H new ATOM 0 HB THR A 55 17.192 19.415 14.296 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.818 16.753 15.349 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.214 17.919 12.580 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.890 18.413 12.243 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.552 16.780 12.864 1.00 0.00 H new ATOM 885 N LEU A 56 18.631 20.146 16.562 1.00 0.00 N ATOM 886 CA LEU A 56 18.260 20.708 17.848 1.00 0.00 C ATOM 887 C LEU A 56 17.017 20.155 18.541 1.00 0.00 C ATOM 888 O LEU A 56 16.949 20.140 19.767 1.00 0.00 O ATOM 889 CB LEU A 56 18.080 22.216 17.699 1.00 0.00 C ATOM 890 CG LEU A 56 19.342 23.059 17.533 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.792 23.106 16.076 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.213 24.530 17.912 1.00 0.00 C ATOM 0 H LEU A 56 18.682 20.832 15.809 1.00 0.00 H new ATOM 0 HA LEU A 56 19.087 20.416 18.495 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.439 22.395 16.836 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.544 22.580 18.576 1.00 0.00 H new ATOM 0 HG LEU A 56 20.037 22.559 18.207 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.693 23.714 15.993 1.00 0.00 H new ATOM 0 HD12 LEU A 56 20.003 22.095 15.728 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.002 23.543 15.465 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.168 25.031 17.755 1.00 0.00 H new ATOM 0 HD22 LEU A 56 18.450 25.000 17.292 1.00 0.00 H new ATOM 0 HD23 LEU A 56 18.929 24.612 18.961 1.00 0.00 H new ATOM 904 N SER A 57 16.029 19.710 17.766 1.00 0.00 N ATOM 905 CA SER A 57 14.824 19.041 18.197 1.00 0.00 C ATOM 906 C SER A 57 15.061 17.654 18.805 1.00 0.00 C ATOM 907 O SER A 57 14.124 17.264 19.493 1.00 0.00 O ATOM 908 CB SER A 57 13.899 18.927 16.981 1.00 0.00 C ATOM 909 OG SER A 57 12.536 18.870 17.316 1.00 0.00 O ATOM 0 H SER A 57 16.061 19.820 16.752 1.00 0.00 H new ATOM 0 HA SER A 57 14.381 19.634 18.997 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.068 19.781 16.325 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.164 18.033 16.416 1.00 0.00 H new ATOM 0 HG SER A 57 12.001 18.800 16.498 1.00 0.00 H new ATOM 915 N ASP A 58 16.140 16.969 18.451 1.00 0.00 N ATOM 916 CA ASP A 58 16.449 15.694 19.081 1.00 0.00 C ATOM 917 C ASP A 58 17.057 15.942 20.467 1.00 0.00 C ATOM 918 O ASP A 58 17.072 15.045 21.299 1.00 0.00 O ATOM 919 CB ASP A 58 17.474 14.779 18.415 1.00 0.00 C ATOM 920 CG ASP A 58 17.246 14.399 16.957 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.476 15.239 16.062 1.00 0.00 O ATOM 922 OD2 ASP A 58 16.719 13.295 16.720 1.00 0.00 O ATOM 0 H ASP A 58 16.807 17.270 17.741 1.00 0.00 H new ATOM 0 HA ASP A 58 15.480 15.197 19.042 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.449 15.260 18.487 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.529 13.859 18.996 1.00 0.00 H new ATOM 927 N TYR A 59 17.594 17.122 20.776 1.00 0.00 N ATOM 928 CA TYR A 59 18.178 17.410 22.067 1.00 0.00 C ATOM 929 C TYR A 59 17.280 18.362 22.863 1.00 0.00 C ATOM 930 O TYR A 59 17.663 18.726 23.975 1.00 0.00 O ATOM 931 CB TYR A 59 19.443 18.198 21.721 1.00 0.00 C ATOM 932 CG TYR A 59 20.666 17.375 21.369 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.292 16.570 22.330 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.194 17.345 20.069 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.396 15.764 22.049 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.236 16.464 19.750 1.00 0.00 C ATOM 937 CZ TYR A 59 22.850 15.664 20.723 1.00 0.00 C ATOM 938 OH TYR A 59 23.995 15.002 20.409 1.00 0.00 O ATOM 0 H TYR A 59 17.632 17.906 20.125 1.00 0.00 H new ATOM 0 HA TYR A 59 18.336 16.501 22.648 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.219 18.855 20.881 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.692 18.837 22.568 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.901 16.573 23.337 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.796 18.004 19.311 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.895 15.224 22.840 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.575 16.400 18.727 1.00 0.00 H new ATOM 0 HH TYR A 59 24.021 14.833 19.444 1.00 0.00 H new ATOM 948 N ASN A 60 16.091 18.659 22.348 1.00 0.00 N ATOM 949 CA ASN A 60 14.962 19.254 23.046 1.00 0.00 C ATOM 950 C ASN A 60 15.213 20.706 23.441 1.00 0.00 C ATOM 951 O ASN A 60 14.653 21.258 24.382 1.00 0.00 O ATOM 952 CB ASN A 60 14.295 18.350 24.080 1.00 0.00 C ATOM 953 CG ASN A 60 14.878 18.148 25.473 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.441 17.132 25.862 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.801 19.080 26.420 1.00 0.00 N ATOM 0 H ASN A 60 15.879 18.477 21.367 1.00 0.00 H new ATOM 0 HA ASN A 60 14.156 19.333 22.316 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.280 18.723 24.215 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.213 17.362 23.627 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.190 18.900 27.346 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.353 19.974 26.220 1.00 0.00 H new ATOM 962 N ILE A 61 16.012 21.421 22.646 1.00 0.00 N ATOM 963 CA ILE A 61 16.409 22.793 22.879 1.00 0.00 C ATOM 964 C ILE A 61 15.281 23.745 22.464 1.00 0.00 C ATOM 965 O ILE A 61 14.745 23.694 21.355 1.00 0.00 O ATOM 966 CB ILE A 61 17.701 23.176 22.149 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.780 22.135 22.443 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.114 24.635 22.332 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.153 22.246 21.781 1.00 0.00 C ATOM 0 H ILE A 61 16.411 21.035 21.790 1.00 0.00 H new ATOM 0 HA ILE A 61 16.605 22.884 23.947 1.00 0.00 H new ATOM 0 HB ILE A 61 17.519 23.143 21.075 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.940 22.130 23.521 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.370 21.160 22.177 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.037 24.823 21.784 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.327 25.286 21.952 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.273 24.838 23.391 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.783 21.420 22.110 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.039 22.206 20.698 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.617 23.191 22.062 1.00 0.00 H new ATOM 981 N GLN A 62 14.845 24.551 23.424 1.00 0.00 N ATOM 982 CA GLN A 62 13.762 25.510 23.311 1.00 0.00 C ATOM 983 C GLN A 62 14.249 26.956 23.377 1.00 0.00 C ATOM 984 O GLN A 62 15.389 27.212 23.761 1.00 0.00 O ATOM 985 CB GLN A 62 12.723 25.208 24.381 1.00 0.00 C ATOM 986 CG GLN A 62 11.901 23.966 24.020 1.00 0.00 C ATOM 987 CD GLN A 62 11.195 23.311 25.202 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.028 22.096 25.191 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.816 24.069 26.233 1.00 0.00 N ATOM 0 H GLN A 62 15.264 24.550 24.354 1.00 0.00 H new ATOM 0 HA GLN A 62 13.305 25.406 22.327 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.218 25.053 25.339 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.060 26.065 24.500 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.155 24.243 23.275 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.559 23.233 23.554 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.970 25.077 26.209 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.372 23.640 27.045 1.00 0.00 H new ATOM 998 N LYS A 63 13.446 27.941 23.008 1.00 0.00 N ATOM 999 CA LYS A 63 13.694 29.355 23.175 1.00 0.00 C ATOM 1000 C LYS A 63 14.187 29.782 24.553 1.00 0.00 C ATOM 1001 O LYS A 63 13.964 29.031 25.491 1.00 0.00 O ATOM 1002 CB LYS A 63 12.522 30.204 22.667 1.00 0.00 C ATOM 1003 CG LYS A 63 11.209 30.000 23.424 1.00 0.00 C ATOM 1004 CD LYS A 63 10.022 30.714 22.806 1.00 0.00 C ATOM 1005 CE LYS A 63 8.876 30.561 23.813 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.597 31.020 23.246 1.00 0.00 N ATOM 0 H LYS A 63 12.550 27.758 22.557 1.00 0.00 H new ATOM 0 HA LYS A 63 14.552 29.558 22.534 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.800 31.256 22.727 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.357 29.978 21.614 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.992 28.933 23.473 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.335 30.348 24.449 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.248 31.765 22.626 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.759 30.275 21.844 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.789 29.516 24.112 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.102 31.132 24.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.842 30.903 23.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.674 32.024 22.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.370 30.458 22.401 1.00 0.00 H new ATOM 1020 N GLU A 64 15.079 30.771 24.651 1.00 0.00 N ATOM 1021 CA GLU A 64 15.602 31.406 25.834 1.00 0.00 C ATOM 1022 C GLU A 64 16.400 30.433 26.711 1.00 0.00 C ATOM 1023 O GLU A 64 16.667 30.660 27.881 1.00 0.00 O ATOM 1024 CB GLU A 64 14.489 32.196 26.529 1.00 0.00 C ATOM 1025 CG GLU A 64 14.079 33.454 25.761 1.00 0.00 C ATOM 1026 CD GLU A 64 12.647 33.913 25.971 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.037 33.674 27.026 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.119 34.600 25.068 1.00 0.00 O ATOM 0 H GLU A 64 15.486 31.179 23.809 1.00 0.00 H new ATOM 0 HA GLU A 64 16.355 32.146 25.563 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.618 31.553 26.653 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.821 32.479 27.528 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.748 34.266 26.046 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.232 33.274 24.697 1.00 0.00 H new ATOM 1035 N SER A 65 16.872 29.348 26.113 1.00 0.00 N ATOM 1036 CA SER A 65 17.718 28.337 26.719 1.00 0.00 C ATOM 1037 C SER A 65 19.162 28.847 26.656 1.00 0.00 C ATOM 1038 O SER A 65 19.471 29.591 25.722 1.00 0.00 O ATOM 1039 CB SER A 65 17.611 27.013 25.980 1.00 0.00 C ATOM 1040 OG SER A 65 16.348 26.471 26.311 1.00 0.00 O ATOM 0 H SER A 65 16.661 29.141 25.137 1.00 0.00 H new ATOM 0 HA SER A 65 17.404 28.164 27.748 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.700 27.161 24.904 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.413 26.337 26.276 1.00 0.00 H new ATOM 0 HG SER A 65 15.734 26.587 25.556 1.00 0.00 H new ATOM 1046 N THR A 66 19.952 28.374 27.614 1.00 0.00 N ATOM 1047 CA THR A 66 21.364 28.680 27.716 1.00 0.00 C ATOM 1048 C THR A 66 22.144 27.411 27.378 1.00 0.00 C ATOM 1049 O THR A 66 22.025 26.394 28.060 1.00 0.00 O ATOM 1050 CB THR A 66 21.659 29.116 29.147 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.738 30.118 29.517 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.117 29.554 29.296 1.00 0.00 C ATOM 0 H THR A 66 19.617 27.756 28.353 1.00 0.00 H new ATOM 0 HA THR A 66 21.650 29.479 27.032 1.00 0.00 H new ATOM 0 HB THR A 66 21.533 28.276 29.831 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.918 30.404 30.437 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.302 29.860 30.326 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.774 28.723 29.041 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.315 30.392 28.627 1.00 0.00 H new ATOM 1060 N LEU A 67 22.730 27.402 26.189 1.00 0.00 N ATOM 1061 CA LEU A 67 23.767 26.432 25.888 1.00 0.00 C ATOM 1062 C LEU A 67 25.035 27.050 26.478 1.00 0.00 C ATOM 1063 O LEU A 67 25.194 28.268 26.592 1.00 0.00 O ATOM 1064 CB LEU A 67 23.847 26.211 24.385 1.00 0.00 C ATOM 1065 CG LEU A 67 22.558 26.011 23.572 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.797 25.495 22.159 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.527 25.120 24.265 1.00 0.00 C ATOM 0 H LEU A 67 22.508 28.046 25.429 1.00 0.00 H new ATOM 0 HA LEU A 67 23.588 25.443 26.309 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.371 27.066 23.958 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.476 25.336 24.218 1.00 0.00 H new ATOM 0 HG LEU A 67 22.149 27.019 23.503 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.841 25.379 21.648 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.417 26.205 21.612 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.304 24.531 22.205 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.645 25.025 23.632 1.00 0.00 H new ATOM 0 HD22 LEU A 67 21.957 24.134 24.439 1.00 0.00 H new ATOM 0 HD23 LEU A 67 21.243 25.566 25.218 1.00 0.00 H new ATOM 1079 N HIS A 68 26.037 26.241 26.830 1.00 0.00 N ATOM 1080 CA HIS A 68 27.373 26.715 27.122 1.00 0.00 C ATOM 1081 C HIS A 68 28.335 26.102 26.108 1.00 0.00 C ATOM 1082 O HIS A 68 28.035 24.993 25.654 1.00 0.00 O ATOM 1083 CB HIS A 68 27.705 26.268 28.547 1.00 0.00 C ATOM 1084 CG HIS A 68 29.063 26.642 29.046 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.488 27.975 29.049 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.013 25.844 29.625 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.672 27.913 29.659 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.016 26.683 30.070 1.00 0.00 N ATOM 0 H HIS A 68 25.933 25.230 26.918 1.00 0.00 H new ATOM 0 HA HIS A 68 27.453 27.800 27.053 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.961 26.690 29.223 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.605 25.184 28.600 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.984 24.768 29.716 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.300 28.779 29.809 1.00 0.00 H new ATOM 0 HE2 HIS A 68 31.847 26.422 30.601 1.00 0.00 H new ATOM 1096 N LEU A 69 29.410 26.788 25.727 1.00 0.00 N ATOM 1097 CA LEU A 69 30.412 26.332 24.784 1.00 0.00 C ATOM 1098 C LEU A 69 31.661 26.063 25.623 1.00 0.00 C ATOM 1099 O LEU A 69 32.086 26.803 26.503 1.00 0.00 O ATOM 1100 CB LEU A 69 30.649 27.499 23.833 1.00 0.00 C ATOM 1101 CG LEU A 69 31.346 27.174 22.512 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.336 26.506 21.575 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.105 28.321 21.841 1.00 0.00 C ATOM 0 H LEU A 69 29.610 27.721 26.088 1.00 0.00 H new ATOM 0 HA LEU A 69 30.135 25.443 24.218 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.685 27.955 23.607 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.242 28.249 24.356 1.00 0.00 H new ATOM 0 HG LEU A 69 32.156 26.487 22.755 1.00 0.00 H new ATOM 0 HD11 LEU A 69 30.820 26.268 20.628 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.966 25.589 22.033 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.502 27.184 21.396 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.555 27.966 20.914 1.00 0.00 H new ATOM 0 HD22 LEU A 69 31.414 29.135 21.621 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.887 28.680 22.510 1.00 0.00 H new ATOM 1115 N VAL A 70 32.411 25.068 25.164 1.00 0.00 N ATOM 1116 CA VAL A 70 33.722 24.635 25.622 1.00 0.00 C ATOM 1117 C VAL A 70 34.561 24.359 24.379 1.00 0.00 C ATOM 1118 O VAL A 70 33.926 24.439 23.325 1.00 0.00 O ATOM 1119 CB VAL A 70 33.727 23.533 26.668 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.204 24.052 28.008 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.077 22.231 26.197 1.00 0.00 C ATOM 0 H VAL A 70 32.084 24.491 24.389 1.00 0.00 H new ATOM 0 HA VAL A 70 34.180 25.436 26.203 1.00 0.00 H new ATOM 0 HB VAL A 70 34.766 23.245 26.830 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.217 23.245 28.741 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.838 24.868 28.355 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.183 24.414 27.885 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.119 21.493 26.998 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.037 22.419 25.931 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.611 21.852 25.326 1.00 0.00 H new ATOM 1131 N LEU A 71 35.845 24.038 24.551 1.00 0.00 N ATOM 1132 CA LEU A 71 36.743 23.962 23.415 1.00 0.00 C ATOM 1133 C LEU A 71 36.969 22.457 23.227 1.00 0.00 C ATOM 1134 O LEU A 71 36.897 21.611 24.113 1.00 0.00 O ATOM 1135 CB LEU A 71 38.001 24.679 23.898 1.00 0.00 C ATOM 1136 CG LEU A 71 38.966 25.163 22.807 1.00 0.00 C ATOM 1137 CD1 LEU A 71 38.499 26.361 21.974 1.00 0.00 C ATOM 1138 CD2 LEU A 71 40.265 25.504 23.539 1.00 0.00 C ATOM 0 H LEU A 71 36.274 23.831 25.453 1.00 0.00 H new ATOM 0 HA LEU A 71 36.405 24.403 22.477 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.697 25.540 24.493 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.544 24.007 24.563 1.00 0.00 H new ATOM 0 HG LEU A 71 39.063 24.371 22.065 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.262 26.611 21.237 1.00 0.00 H new ATOM 0 HD12 LEU A 71 37.570 26.109 21.463 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.332 27.216 22.629 1.00 0.00 H new ATOM 0 HD21 LEU A 71 41.005 25.858 22.821 1.00 0.00 H new ATOM 0 HD22 LEU A 71 40.073 26.283 24.277 1.00 0.00 H new ATOM 0 HD23 LEU A 71 40.644 24.614 24.041 1.00 0.00 H new