USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 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 25 ASN : amide:sc= 0.864 K(o=3,f=-8.1!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 171:sc= 2.16 (180deg=0.967) USER MOD Set 2.1: A 7 THR OG1 : rot -80:sc= 2.02 USER MOD Set 2.2: A 9 THR OG1 : rot 43:sc= 0.68 USER MOD Single : A 1 MET CE :methyl 157:sc= 0 (180deg=-0.816) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.29 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.543 K(o=-0.54,f=-7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0.858) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 47:sc= 0.589 USER MOD Single : A 20 SER OG : rot -34:sc= 0.251 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 41 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.58) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -8:sc= 0.298 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.779 USER MOD Single : A 60 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -120:sc= 0.78 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00687 X(o=-0.0069,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.879 30.664 16.010 1.00 0.00 N ATOM 2 CA MET A 1 13.882 30.378 17.452 1.00 0.00 C ATOM 3 C MET A 1 15.158 31.041 17.980 1.00 0.00 C ATOM 4 O MET A 1 16.232 30.664 17.525 1.00 0.00 O ATOM 5 CB MET A 1 13.882 28.849 17.523 1.00 0.00 C ATOM 6 CG MET A 1 13.759 28.154 18.872 1.00 0.00 C ATOM 7 SD MET A 1 13.665 26.345 18.882 1.00 0.00 S ATOM 8 CE MET A 1 15.372 25.808 19.144 1.00 0.00 C ATOM 0 H1 MET A 1 12.899 30.688 15.663 1.00 0.00 H new ATOM 0 H2 MET A 1 14.330 31.585 15.838 1.00 0.00 H new ATOM 0 H3 MET A 1 14.406 29.921 15.508 1.00 0.00 H new ATOM 0 HA MET A 1 13.047 30.751 18.045 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.062 28.495 16.899 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.807 28.502 17.062 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.614 28.449 19.480 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.868 28.539 19.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.377 24.802 19.564 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.903 25.806 18.192 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.867 26.492 19.834 1.00 0.00 H new ATOM 20 N GLN A 2 15.083 32.042 18.856 1.00 0.00 N ATOM 21 CA GLN A 2 16.141 32.858 19.416 1.00 0.00 C ATOM 22 C GLN A 2 16.701 32.043 20.578 1.00 0.00 C ATOM 23 O GLN A 2 15.959 31.332 21.262 1.00 0.00 O ATOM 24 CB GLN A 2 15.589 34.198 19.903 1.00 0.00 C ATOM 25 CG GLN A 2 14.916 35.060 18.840 1.00 0.00 C ATOM 26 CD GLN A 2 14.289 36.349 19.361 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.289 36.309 20.073 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.894 37.498 19.090 1.00 0.00 N ATOM 0 H GLN A 2 14.176 32.326 19.226 1.00 0.00 H new ATOM 0 HA GLN A 2 16.910 33.093 18.680 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.869 34.006 20.699 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.407 34.769 20.344 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.653 35.314 18.078 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.142 34.469 18.350 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.723 37.510 18.496 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.530 38.369 19.475 1.00 0.00 H new ATOM 37 N ILE A 3 18.014 32.049 20.737 1.00 0.00 N ATOM 38 CA ILE A 3 18.780 31.301 21.713 1.00 0.00 C ATOM 39 C ILE A 3 19.952 32.118 22.271 1.00 0.00 C ATOM 40 O ILE A 3 20.528 32.944 21.561 1.00 0.00 O ATOM 41 CB ILE A 3 19.239 29.890 21.341 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.253 29.929 20.198 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.042 28.985 21.059 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.768 28.535 19.835 1.00 0.00 C ATOM 0 H ILE A 3 18.614 32.620 20.142 1.00 0.00 H new ATOM 0 HA ILE A 3 18.032 31.124 22.486 1.00 0.00 H new ATOM 0 HB ILE A 3 19.759 29.451 22.193 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.792 30.384 19.321 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.093 30.563 20.482 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.394 27.987 20.797 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.413 28.926 21.947 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.463 29.395 20.231 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.486 28.613 19.018 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.254 28.089 20.703 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.932 27.908 19.525 1.00 0.00 H new ATOM 56 N PHE A 4 20.316 31.858 23.518 1.00 0.00 N ATOM 57 CA PHE A 4 21.582 32.286 24.061 1.00 0.00 C ATOM 58 C PHE A 4 22.672 31.236 23.821 1.00 0.00 C ATOM 59 O PHE A 4 22.351 30.056 23.831 1.00 0.00 O ATOM 60 CB PHE A 4 21.543 32.390 25.588 1.00 0.00 C ATOM 61 CG PHE A 4 20.509 33.425 25.969 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.756 34.786 25.757 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.322 33.067 26.623 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.850 35.759 26.191 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.305 34.003 26.830 1.00 0.00 C ATOM 66 CZ PHE A 4 18.594 35.367 26.678 1.00 0.00 C ATOM 0 H PHE A 4 19.735 31.342 24.178 1.00 0.00 H new ATOM 0 HA PHE A 4 21.782 33.241 23.576 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.293 31.424 26.028 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.522 32.672 25.974 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.660 35.090 25.250 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.191 32.053 26.972 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.115 36.805 26.152 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.311 33.681 27.103 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.854 36.111 26.934 1.00 0.00 H new ATOM 76 N VAL A 5 23.890 31.729 23.619 1.00 0.00 N ATOM 77 CA VAL A 5 25.124 30.955 23.580 1.00 0.00 C ATOM 78 C VAL A 5 26.079 31.630 24.560 1.00 0.00 C ATOM 79 O VAL A 5 26.463 32.764 24.282 1.00 0.00 O ATOM 80 CB VAL A 5 25.643 30.712 22.169 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.614 29.534 22.179 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.524 30.472 21.151 1.00 0.00 C ATOM 0 H VAL A 5 24.050 32.726 23.471 1.00 0.00 H new ATOM 0 HA VAL A 5 24.972 29.926 23.906 1.00 0.00 H new ATOM 0 HB VAL A 5 26.157 31.620 21.852 1.00 0.00 H new ATOM 0 HG11 VAL A 5 26.985 29.360 21.169 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.451 29.758 22.840 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.100 28.641 22.535 1.00 0.00 H new ATOM 0 HG21 VAL A 5 24.958 30.305 20.165 1.00 0.00 H new ATOM 0 HG22 VAL A 5 23.946 29.596 21.446 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.870 31.343 21.117 1.00 0.00 H new ATOM 92 N LYS A 6 26.489 30.908 25.597 1.00 0.00 N ATOM 93 CA LYS A 6 27.364 31.441 26.627 1.00 0.00 C ATOM 94 C LYS A 6 28.772 31.041 26.202 1.00 0.00 C ATOM 95 O LYS A 6 29.010 29.854 25.977 1.00 0.00 O ATOM 96 CB LYS A 6 27.021 30.698 27.932 1.00 0.00 C ATOM 97 CG LYS A 6 27.873 31.225 29.093 1.00 0.00 C ATOM 98 CD LYS A 6 27.421 30.659 30.437 1.00 0.00 C ATOM 99 CE LYS A 6 28.579 30.576 31.435 1.00 0.00 C ATOM 100 NZ LYS A 6 28.131 30.100 32.753 1.00 0.00 N ATOM 0 H LYS A 6 26.222 29.935 25.745 1.00 0.00 H new ATOM 0 HA LYS A 6 27.268 32.518 26.763 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.963 30.826 28.163 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.192 29.629 27.804 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.918 30.965 28.923 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.816 32.313 29.120 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.630 31.286 30.849 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.996 29.666 30.289 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.346 29.905 31.047 1.00 0.00 H new ATOM 0 HE3 LYS A 6 29.039 31.558 31.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.943 30.057 33.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.418 30.754 33.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.715 29.152 32.657 1.00 0.00 H new ATOM 114 N THR A 7 29.656 31.990 25.912 1.00 0.00 N ATOM 115 CA THR A 7 31.024 31.598 25.616 1.00 0.00 C ATOM 116 C THR A 7 31.780 31.098 26.846 1.00 0.00 C ATOM 117 O THR A 7 31.370 31.191 27.996 1.00 0.00 O ATOM 118 CB THR A 7 31.765 32.779 24.982 1.00 0.00 C ATOM 119 OG1 THR A 7 32.035 33.798 25.925 1.00 0.00 O ATOM 120 CG2 THR A 7 31.253 33.418 23.691 1.00 0.00 C ATOM 0 H THR A 7 29.462 32.991 25.876 1.00 0.00 H new ATOM 0 HA THR A 7 30.980 30.761 24.919 1.00 0.00 H new ATOM 0 HB THR A 7 32.660 32.255 24.645 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.230 34.341 26.060 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.913 34.237 23.404 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.235 32.671 22.898 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.246 33.803 23.850 1.00 0.00 H new ATOM 128 N LEU A 8 32.912 30.439 26.580 1.00 0.00 N ATOM 129 CA LEU A 8 33.739 29.844 27.595 1.00 0.00 C ATOM 130 C LEU A 8 34.544 30.886 28.362 1.00 0.00 C ATOM 131 O LEU A 8 34.590 30.833 29.588 1.00 0.00 O ATOM 132 CB LEU A 8 34.691 28.881 26.879 1.00 0.00 C ATOM 133 CG LEU A 8 35.540 27.971 27.774 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.948 28.536 27.987 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.973 27.120 28.907 1.00 0.00 C ATOM 0 H LEU A 8 33.271 30.311 25.634 1.00 0.00 H new ATOM 0 HA LEU A 8 33.112 29.333 28.326 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.102 28.251 26.212 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.363 29.468 26.253 1.00 0.00 H new ATOM 0 HG LEU A 8 35.554 27.093 27.129 1.00 0.00 H new ATOM 0 HD11 LEU A 8 37.518 27.862 28.627 1.00 0.00 H new ATOM 0 HD12 LEU A 8 37.450 28.634 27.025 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.879 29.515 28.462 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.781 26.568 29.387 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.490 27.766 29.640 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.243 26.418 28.504 1.00 0.00 H new ATOM 147 N THR A 9 34.988 31.877 27.592 1.00 0.00 N ATOM 148 CA THR A 9 35.469 33.204 27.931 1.00 0.00 C ATOM 149 C THR A 9 34.530 34.069 28.774 1.00 0.00 C ATOM 150 O THR A 9 34.996 34.996 29.431 1.00 0.00 O ATOM 151 CB THR A 9 35.871 33.858 26.612 1.00 0.00 C ATOM 152 OG1 THR A 9 34.903 33.641 25.602 1.00 0.00 O ATOM 153 CG2 THR A 9 37.277 33.527 26.132 1.00 0.00 C ATOM 0 H THR A 9 35.020 31.743 26.581 1.00 0.00 H new ATOM 0 HA THR A 9 36.316 33.105 28.610 1.00 0.00 H new ATOM 0 HB THR A 9 35.902 34.925 26.832 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.006 33.771 25.975 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.469 34.038 25.189 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.002 33.855 26.877 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.368 32.451 25.987 1.00 0.00 H new ATOM 161 N GLY A 10 33.210 33.924 28.683 1.00 0.00 N ATOM 162 CA GLY A 10 32.376 34.444 29.738 1.00 0.00 C ATOM 163 C GLY A 10 31.256 35.358 29.226 1.00 0.00 C ATOM 164 O GLY A 10 30.257 35.594 29.889 1.00 0.00 O ATOM 0 H GLY A 10 32.718 33.467 27.915 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.935 33.612 30.287 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.996 34.999 30.443 1.00 0.00 H new ATOM 168 N LYS A 11 31.434 35.871 28.008 1.00 0.00 N ATOM 169 CA LYS A 11 30.515 36.673 27.241 1.00 0.00 C ATOM 170 C LYS A 11 29.365 35.820 26.694 1.00 0.00 C ATOM 171 O LYS A 11 29.653 34.701 26.285 1.00 0.00 O ATOM 172 CB LYS A 11 31.266 37.361 26.097 1.00 0.00 C ATOM 173 CG LYS A 11 30.539 38.419 25.262 1.00 0.00 C ATOM 174 CD LYS A 11 31.018 38.536 23.817 1.00 0.00 C ATOM 175 CE LYS A 11 30.476 39.793 23.127 1.00 0.00 C ATOM 176 NZ LYS A 11 31.076 39.823 21.778 1.00 0.00 N ATOM 0 H LYS A 11 32.305 35.715 27.500 1.00 0.00 H new ATOM 0 HA LYS A 11 30.083 37.432 27.894 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.154 37.830 26.521 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.611 36.584 25.415 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.473 38.190 25.259 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.655 39.388 25.748 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.108 38.554 23.798 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.704 37.654 23.259 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.388 39.764 23.067 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.740 40.689 23.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.537 40.475 21.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.062 40.147 21.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.052 38.868 21.366 1.00 0.00 H new ATOM 190 N THR A 12 28.130 36.317 26.772 1.00 0.00 N ATOM 191 CA THR A 12 26.963 35.637 26.264 1.00 0.00 C ATOM 192 C THR A 12 26.390 36.402 25.066 1.00 0.00 C ATOM 193 O THR A 12 26.137 37.603 25.129 1.00 0.00 O ATOM 194 CB THR A 12 25.951 35.412 27.399 1.00 0.00 C ATOM 195 OG1 THR A 12 26.680 34.878 28.481 1.00 0.00 O ATOM 196 CG2 THR A 12 24.859 34.393 27.084 1.00 0.00 C ATOM 0 H THR A 12 27.921 37.219 27.199 1.00 0.00 H new ATOM 0 HA THR A 12 27.231 34.648 25.893 1.00 0.00 H new ATOM 0 HB THR A 12 25.462 36.368 27.587 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.075 34.718 29.235 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.191 34.299 27.940 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.291 34.726 26.216 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.314 33.426 26.871 1.00 0.00 H new ATOM 204 N ILE A 13 26.171 35.611 24.017 1.00 0.00 N ATOM 205 CA ILE A 13 25.667 36.009 22.722 1.00 0.00 C ATOM 206 C ILE A 13 24.257 35.437 22.550 1.00 0.00 C ATOM 207 O ILE A 13 23.712 34.736 23.402 1.00 0.00 O ATOM 208 CB ILE A 13 26.683 35.626 21.647 1.00 0.00 C ATOM 209 CG1 ILE A 13 26.780 34.171 21.201 1.00 0.00 C ATOM 210 CG2 ILE A 13 28.040 36.271 21.925 1.00 0.00 C ATOM 211 CD1 ILE A 13 27.564 33.765 19.949 1.00 0.00 C ATOM 0 H ILE A 13 26.356 34.609 24.062 1.00 0.00 H new ATOM 0 HA ILE A 13 25.556 37.089 22.626 1.00 0.00 H new ATOM 0 HB ILE A 13 26.247 36.054 20.745 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.205 33.612 22.035 1.00 0.00 H new ATOM 0 HG13 ILE A 13 25.759 33.813 21.065 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.746 35.983 21.146 1.00 0.00 H new ATOM 0 HG22 ILE A 13 27.932 37.356 21.934 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.411 35.935 22.893 1.00 0.00 H new ATOM 0 HD11 ILE A 13 27.503 32.685 19.816 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.140 34.263 19.077 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.608 34.058 20.062 1.00 0.00 H new ATOM 223 N THR A 14 23.639 35.761 21.421 1.00 0.00 N ATOM 224 CA THR A 14 22.389 35.198 20.927 1.00 0.00 C ATOM 225 C THR A 14 22.537 35.035 19.413 1.00 0.00 C ATOM 226 O THR A 14 23.203 35.853 18.783 1.00 0.00 O ATOM 227 CB THR A 14 21.235 36.056 21.441 1.00 0.00 C ATOM 228 OG1 THR A 14 19.946 35.702 20.993 1.00 0.00 O ATOM 229 CG2 THR A 14 21.343 37.509 20.973 1.00 0.00 C ATOM 0 H THR A 14 24.020 36.465 20.789 1.00 0.00 H new ATOM 0 HA THR A 14 22.153 34.201 21.299 1.00 0.00 H new ATOM 0 HB THR A 14 21.334 35.903 22.516 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.823 34.734 21.083 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.501 38.080 21.363 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.275 37.941 21.338 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.330 37.542 19.884 1.00 0.00 H new ATOM 237 N LEU A 15 21.980 33.926 18.919 1.00 0.00 N ATOM 238 CA LEU A 15 21.899 33.490 17.535 1.00 0.00 C ATOM 239 C LEU A 15 20.435 33.143 17.259 1.00 0.00 C ATOM 240 O LEU A 15 19.680 32.824 18.178 1.00 0.00 O ATOM 241 CB LEU A 15 22.913 32.382 17.220 1.00 0.00 C ATOM 242 CG LEU A 15 24.380 32.775 17.413 1.00 0.00 C ATOM 243 CD1 LEU A 15 25.289 31.561 17.576 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.812 33.747 16.313 1.00 0.00 C ATOM 0 H LEU A 15 21.535 33.252 19.542 1.00 0.00 H new ATOM 0 HA LEU A 15 22.192 34.281 16.844 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.697 31.521 17.853 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.771 32.062 16.188 1.00 0.00 H new ATOM 0 HG LEU A 15 24.482 33.309 18.358 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.319 31.893 17.710 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.976 30.987 18.448 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.222 30.935 16.687 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.857 34.021 16.459 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.694 33.271 15.340 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.193 34.643 16.356 1.00 0.00 H new ATOM 256 N GLU A 16 19.997 33.122 16.011 1.00 0.00 N ATOM 257 CA GLU A 16 18.815 32.353 15.650 1.00 0.00 C ATOM 258 C GLU A 16 18.999 30.914 15.182 1.00 0.00 C ATOM 259 O GLU A 16 19.937 30.677 14.419 1.00 0.00 O ATOM 260 CB GLU A 16 18.085 33.113 14.543 1.00 0.00 C ATOM 261 CG GLU A 16 17.340 34.350 15.059 1.00 0.00 C ATOM 262 CD GLU A 16 18.232 35.547 15.394 1.00 0.00 C ATOM 263 OE1 GLU A 16 18.936 35.907 14.433 1.00 0.00 O ATOM 264 OE2 GLU A 16 18.236 36.268 16.409 1.00 0.00 O ATOM 0 H GLU A 16 20.435 33.622 15.238 1.00 0.00 H new ATOM 0 HA GLU A 16 18.270 32.255 16.589 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.805 33.419 13.784 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.375 32.444 14.057 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.612 34.657 14.308 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.779 34.072 15.952 1.00 0.00 H new ATOM 271 N VAL A 17 18.198 29.930 15.574 1.00 0.00 N ATOM 272 CA VAL A 17 18.157 28.577 15.042 1.00 0.00 C ATOM 273 C VAL A 17 16.707 28.281 14.652 1.00 0.00 C ATOM 274 O VAL A 17 15.827 29.072 14.947 1.00 0.00 O ATOM 275 CB VAL A 17 18.718 27.642 16.111 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.216 27.880 16.294 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.978 27.905 17.422 1.00 0.00 C ATOM 0 H VAL A 17 17.517 30.067 16.320 1.00 0.00 H new ATOM 0 HA VAL A 17 18.765 28.440 14.148 1.00 0.00 H new ATOM 0 HB VAL A 17 18.576 26.606 15.805 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.601 27.206 17.059 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.732 27.692 15.352 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.386 28.912 16.601 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.366 27.245 18.198 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.125 28.943 17.721 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.914 27.715 17.283 1.00 0.00 H new ATOM 287 N GLU A 18 16.487 27.107 14.059 1.00 0.00 N ATOM 288 CA GLU A 18 15.192 26.467 13.941 1.00 0.00 C ATOM 289 C GLU A 18 15.249 25.226 14.824 1.00 0.00 C ATOM 290 O GLU A 18 16.338 24.696 15.071 1.00 0.00 O ATOM 291 CB GLU A 18 15.009 26.073 12.475 1.00 0.00 C ATOM 292 CG GLU A 18 14.552 27.209 11.552 1.00 0.00 C ATOM 293 CD GLU A 18 13.138 27.589 11.949 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.266 26.741 11.641 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.865 28.617 12.595 1.00 0.00 O ATOM 0 H GLU A 18 17.238 26.562 13.635 1.00 0.00 H new ATOM 0 HA GLU A 18 14.365 27.109 14.245 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.953 25.678 12.100 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.280 25.264 12.420 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.218 28.067 11.644 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.584 26.891 10.510 1.00 0.00 H new ATOM 302 N PRO A 19 14.147 24.669 15.310 1.00 0.00 N ATOM 303 CA PRO A 19 14.070 23.422 16.034 1.00 0.00 C ATOM 304 C PRO A 19 14.560 22.120 15.395 1.00 0.00 C ATOM 305 O PRO A 19 15.214 21.330 16.083 1.00 0.00 O ATOM 306 CB PRO A 19 12.609 23.351 16.481 1.00 0.00 C ATOM 307 CG PRO A 19 11.774 24.268 15.586 1.00 0.00 C ATOM 308 CD PRO A 19 12.832 25.202 14.995 1.00 0.00 C ATOM 0 HA PRO A 19 14.811 23.464 16.832 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.244 22.326 16.416 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.518 23.656 17.523 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.247 23.710 14.812 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.021 24.815 16.154 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.705 25.283 13.915 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.722 26.206 15.405 1.00 0.00 H new ATOM 316 N SER A 20 14.483 22.091 14.064 1.00 0.00 N ATOM 317 CA SER A 20 14.997 21.028 13.228 1.00 0.00 C ATOM 318 C SER A 20 16.372 21.361 12.644 1.00 0.00 C ATOM 319 O SER A 20 16.773 20.843 11.613 1.00 0.00 O ATOM 320 CB SER A 20 13.907 20.819 12.168 1.00 0.00 C ATOM 321 OG SER A 20 14.096 19.851 11.168 1.00 0.00 O ATOM 0 H SER A 20 14.043 22.839 13.528 1.00 0.00 H new ATOM 0 HA SER A 20 15.185 20.110 13.784 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.984 20.572 12.692 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.746 21.776 11.671 1.00 0.00 H new ATOM 0 HG SER A 20 15.046 19.807 10.930 1.00 0.00 H new ATOM 327 N ASP A 21 17.193 22.259 13.180 1.00 0.00 N ATOM 328 CA ASP A 21 18.549 22.523 12.731 1.00 0.00 C ATOM 329 C ASP A 21 19.433 21.378 13.200 1.00 0.00 C ATOM 330 O ASP A 21 19.145 20.757 14.226 1.00 0.00 O ATOM 331 CB ASP A 21 19.186 23.854 13.130 1.00 0.00 C ATOM 332 CG ASP A 21 18.850 25.021 12.214 1.00 0.00 C ATOM 333 OD1 ASP A 21 19.096 24.966 10.993 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.546 26.121 12.735 1.00 0.00 O ATOM 0 H ASP A 21 16.918 22.843 13.969 1.00 0.00 H new ATOM 0 HA ASP A 21 18.469 22.602 11.647 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.870 24.103 14.143 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.269 23.730 13.155 1.00 0.00 H new ATOM 339 N THR A 22 20.530 21.124 12.497 1.00 0.00 N ATOM 340 CA THR A 22 21.630 20.247 12.867 1.00 0.00 C ATOM 341 C THR A 22 22.773 21.111 13.402 1.00 0.00 C ATOM 342 O THR A 22 22.763 22.322 13.183 1.00 0.00 O ATOM 343 CB THR A 22 21.942 19.577 11.536 1.00 0.00 C ATOM 344 OG1 THR A 22 20.766 18.869 11.200 1.00 0.00 O ATOM 345 CG2 THR A 22 23.187 18.688 11.534 1.00 0.00 C ATOM 0 H THR A 22 20.683 21.558 11.587 1.00 0.00 H new ATOM 0 HA THR A 22 21.433 19.515 13.650 1.00 0.00 H new ATOM 0 HB THR A 22 22.204 20.329 10.792 1.00 0.00 H new ATOM 0 HG1 THR A 22 20.894 18.409 10.344 1.00 0.00 H new ATOM 0 HG21 THR A 22 23.324 18.257 10.542 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.061 19.285 11.794 1.00 0.00 H new ATOM 0 HG23 THR A 22 23.064 17.888 12.264 1.00 0.00 H new ATOM 353 N ILE A 23 23.708 20.607 14.200 1.00 0.00 N ATOM 354 CA ILE A 23 24.801 21.362 14.763 1.00 0.00 C ATOM 355 C ILE A 23 25.775 22.078 13.827 1.00 0.00 C ATOM 356 O ILE A 23 26.426 23.035 14.270 1.00 0.00 O ATOM 357 CB ILE A 23 25.472 20.491 15.828 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.499 20.097 16.933 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.750 21.085 16.420 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.246 21.101 18.072 1.00 0.00 C ATOM 0 H ILE A 23 23.718 19.625 14.477 1.00 0.00 H new ATOM 0 HA ILE A 23 24.348 22.252 15.200 1.00 0.00 H new ATOM 0 HB ILE A 23 25.781 19.593 15.293 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.539 19.873 16.467 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.860 19.171 17.380 1.00 0.00 H new ATOM 0 HG21 ILE A 23 27.158 20.402 17.165 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.482 21.236 15.627 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.523 22.042 16.891 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.532 20.677 18.779 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.184 21.312 18.586 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.842 22.026 17.659 1.00 0.00 H new ATOM 372 N GLU A 24 25.753 21.871 12.517 1.00 0.00 N ATOM 373 CA GLU A 24 26.657 22.479 11.558 1.00 0.00 C ATOM 374 C GLU A 24 26.171 23.838 11.052 1.00 0.00 C ATOM 375 O GLU A 24 26.873 24.591 10.375 1.00 0.00 O ATOM 376 CB GLU A 24 26.725 21.442 10.443 1.00 0.00 C ATOM 377 CG GLU A 24 27.517 21.812 9.190 1.00 0.00 C ATOM 378 CD GLU A 24 27.334 20.838 8.033 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.593 19.635 8.271 1.00 0.00 O ATOM 380 OE2 GLU A 24 26.920 21.309 6.953 1.00 0.00 O ATOM 0 H GLU A 24 25.075 21.248 12.078 1.00 0.00 H new ATOM 0 HA GLU A 24 27.630 22.708 11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.155 20.530 10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.705 21.205 10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.218 22.808 8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.576 21.864 9.444 1.00 0.00 H new ATOM 387 N ASN A 25 24.968 24.155 11.511 1.00 0.00 N ATOM 388 CA ASN A 25 24.457 25.508 11.426 1.00 0.00 C ATOM 389 C ASN A 25 24.782 26.316 12.684 1.00 0.00 C ATOM 390 O ASN A 25 25.303 27.426 12.596 1.00 0.00 O ATOM 391 CB ASN A 25 22.929 25.398 11.355 1.00 0.00 C ATOM 392 CG ASN A 25 22.203 26.671 10.936 1.00 0.00 C ATOM 393 OD1 ASN A 25 21.702 27.430 11.772 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.282 26.924 9.636 1.00 0.00 N ATOM 0 H ASN A 25 24.330 23.489 11.946 1.00 0.00 H new ATOM 0 HA ASN A 25 24.903 26.002 10.563 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.671 24.604 10.654 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.557 25.093 12.333 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.913 27.799 9.263 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.712 26.244 9.009 1.00 0.00 H new ATOM 401 N VAL A 26 24.789 25.678 13.848 1.00 0.00 N ATOM 402 CA VAL A 26 25.090 26.356 15.094 1.00 0.00 C ATOM 403 C VAL A 26 26.558 26.786 15.074 1.00 0.00 C ATOM 404 O VAL A 26 26.847 27.966 15.255 1.00 0.00 O ATOM 405 CB VAL A 26 24.634 25.533 16.304 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.526 26.502 17.484 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.249 24.904 16.166 1.00 0.00 C ATOM 0 H VAL A 26 24.587 24.683 13.951 1.00 0.00 H new ATOM 0 HA VAL A 26 24.513 27.275 15.199 1.00 0.00 H new ATOM 0 HB VAL A 26 25.358 24.726 16.420 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.203 25.959 18.372 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.498 26.958 17.671 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.800 27.280 17.250 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.013 24.342 17.070 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.506 25.688 16.022 1.00 0.00 H new ATOM 0 HG23 VAL A 26 23.238 24.232 15.308 1.00 0.00 H new ATOM 417 N LYS A 27 27.358 25.766 14.764 1.00 0.00 N ATOM 418 CA LYS A 27 28.801 25.826 14.689 1.00 0.00 C ATOM 419 C LYS A 27 29.310 26.980 13.817 1.00 0.00 C ATOM 420 O LYS A 27 30.305 27.629 14.117 1.00 0.00 O ATOM 421 CB LYS A 27 29.321 24.518 14.089 1.00 0.00 C ATOM 422 CG LYS A 27 29.600 23.336 15.017 1.00 0.00 C ATOM 423 CD LYS A 27 30.059 22.142 14.180 1.00 0.00 C ATOM 424 CE LYS A 27 30.422 21.003 15.144 1.00 0.00 C ATOM 425 NZ LYS A 27 30.694 19.734 14.454 1.00 0.00 N ATOM 0 H LYS A 27 26.992 24.838 14.550 1.00 0.00 H new ATOM 0 HA LYS A 27 29.165 25.986 15.704 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.598 24.187 13.344 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.245 24.744 13.558 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.366 23.602 15.745 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.702 23.079 15.579 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.269 21.828 13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.919 22.413 13.568 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.299 21.290 15.724 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.605 20.858 15.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.933 19.003 15.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.850 19.441 13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.491 19.859 13.798 1.00 0.00 H new ATOM 439 N ALA A 28 28.868 27.022 12.565 1.00 0.00 N ATOM 440 CA ALA A 28 29.131 28.024 11.555 1.00 0.00 C ATOM 441 C ALA A 28 28.654 29.444 11.846 1.00 0.00 C ATOM 442 O ALA A 28 29.260 30.390 11.338 1.00 0.00 O ATOM 443 CB ALA A 28 28.610 27.531 10.209 1.00 0.00 C ATOM 0 H ALA A 28 28.262 26.285 12.205 1.00 0.00 H new ATOM 0 HA ALA A 28 30.215 28.135 11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.806 28.283 9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.114 26.602 9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.537 27.354 10.277 1.00 0.00 H new ATOM 449 N LYS A 29 27.498 29.556 12.509 1.00 0.00 N ATOM 450 CA LYS A 29 27.004 30.838 12.980 1.00 0.00 C ATOM 451 C LYS A 29 27.814 31.479 14.114 1.00 0.00 C ATOM 452 O LYS A 29 28.047 32.679 14.073 1.00 0.00 O ATOM 453 CB LYS A 29 25.561 30.754 13.458 1.00 0.00 C ATOM 454 CG LYS A 29 24.518 30.997 12.368 1.00 0.00 C ATOM 455 CD LYS A 29 23.190 30.324 12.713 1.00 0.00 C ATOM 456 CE LYS A 29 22.106 30.570 11.663 1.00 0.00 C ATOM 457 NZ LYS A 29 20.788 30.055 12.068 1.00 0.00 N ATOM 0 H LYS A 29 26.891 28.766 12.728 1.00 0.00 H new ATOM 0 HA LYS A 29 27.101 31.468 12.096 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.392 29.768 13.892 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.412 31.483 14.255 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.363 32.069 12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.887 30.614 11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.349 29.251 12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.843 30.691 13.679 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.029 31.640 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.402 30.099 10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.066 30.381 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.809 29.015 12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.556 30.405 13.020 1.00 0.00 H new ATOM 471 N ILE A 30 28.269 30.689 15.085 1.00 0.00 N ATOM 472 CA ILE A 30 29.338 30.937 16.032 1.00 0.00 C ATOM 473 C ILE A 30 30.602 31.470 15.366 1.00 0.00 C ATOM 474 O ILE A 30 31.128 32.500 15.795 1.00 0.00 O ATOM 475 CB ILE A 30 29.439 29.786 17.029 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.207 29.495 17.879 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.696 29.917 17.892 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.311 28.276 18.801 1.00 0.00 C ATOM 0 H ILE A 30 27.852 29.770 15.237 1.00 0.00 H new ATOM 0 HA ILE A 30 29.106 31.785 16.676 1.00 0.00 H new ATOM 0 HB ILE A 30 29.511 28.904 16.393 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.993 30.372 18.489 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.355 29.354 17.215 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.744 29.084 18.594 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.579 29.904 17.253 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.662 30.856 18.445 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.381 28.161 19.359 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.488 27.382 18.203 1.00 0.00 H new ATOM 0 HD13 ILE A 30 29.137 28.416 19.498 1.00 0.00 H new ATOM 490 N GLN A 31 31.076 30.837 14.301 1.00 0.00 N ATOM 491 CA GLN A 31 32.266 31.165 13.529 1.00 0.00 C ATOM 492 C GLN A 31 32.165 32.524 12.849 1.00 0.00 C ATOM 493 O GLN A 31 33.072 33.340 12.978 1.00 0.00 O ATOM 494 CB GLN A 31 32.626 30.099 12.504 1.00 0.00 C ATOM 495 CG GLN A 31 33.846 30.380 11.624 1.00 0.00 C ATOM 496 CD GLN A 31 34.346 29.188 10.816 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.635 28.353 10.256 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.667 29.136 10.769 1.00 0.00 N ATOM 0 H GLN A 31 30.600 30.016 13.926 1.00 0.00 H new ATOM 0 HA GLN A 31 33.071 31.206 14.263 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.796 29.161 13.033 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.765 29.947 11.854 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.600 31.189 10.936 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.658 30.736 12.258 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.223 29.846 11.246 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.130 28.386 10.256 1.00 0.00 H new ATOM 507 N ASP A 32 31.042 32.829 12.206 1.00 0.00 N ATOM 508 CA ASP A 32 30.573 34.050 11.578 1.00 0.00 C ATOM 509 C ASP A 32 30.627 35.155 12.638 1.00 0.00 C ATOM 510 O ASP A 32 31.414 36.097 12.479 1.00 0.00 O ATOM 511 CB ASP A 32 29.181 33.768 11.016 1.00 0.00 C ATOM 512 CG ASP A 32 28.259 34.976 10.864 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.641 36.055 10.379 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.042 34.717 11.021 1.00 0.00 O ATOM 0 H ASP A 32 30.332 32.104 12.101 1.00 0.00 H new ATOM 0 HA ASP A 32 31.184 34.387 10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.294 33.298 10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.690 33.042 11.664 1.00 0.00 H new ATOM 519 N LYS A 33 29.796 34.945 13.650 1.00 0.00 N ATOM 520 CA LYS A 33 29.628 35.951 14.678 1.00 0.00 C ATOM 521 C LYS A 33 30.841 36.311 15.546 1.00 0.00 C ATOM 522 O LYS A 33 31.288 37.457 15.538 1.00 0.00 O ATOM 523 CB LYS A 33 28.406 35.585 15.523 1.00 0.00 C ATOM 524 CG LYS A 33 27.823 36.775 16.291 1.00 0.00 C ATOM 525 CD LYS A 33 27.099 37.721 15.342 1.00 0.00 C ATOM 526 CE LYS A 33 25.954 38.465 16.044 1.00 0.00 C ATOM 527 NZ LYS A 33 25.378 39.423 15.094 1.00 0.00 N ATOM 0 H LYS A 33 29.238 34.100 13.777 1.00 0.00 H new ATOM 0 HA LYS A 33 29.484 36.884 14.133 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.636 35.168 14.874 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.683 34.805 16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.132 36.419 17.055 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.621 37.309 16.807 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.808 38.443 14.937 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.702 37.157 14.498 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.194 37.761 16.381 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.324 38.983 16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.599 39.939 15.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.111 40.097 14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.016 38.913 14.263 1.00 0.00 H new ATOM 541 N GLU A 34 31.381 35.280 16.191 1.00 0.00 N ATOM 542 CA GLU A 34 32.366 35.330 17.253 1.00 0.00 C ATOM 543 C GLU A 34 33.743 34.773 16.848 1.00 0.00 C ATOM 544 O GLU A 34 34.715 34.877 17.585 1.00 0.00 O ATOM 545 CB GLU A 34 31.786 34.826 18.563 1.00 0.00 C ATOM 546 CG GLU A 34 30.772 35.750 19.232 1.00 0.00 C ATOM 547 CD GLU A 34 31.464 36.874 19.994 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.667 37.155 19.816 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.661 37.614 20.593 1.00 0.00 O ATOM 0 H GLU A 34 31.118 34.321 15.964 1.00 0.00 H new ATOM 0 HA GLU A 34 32.606 36.376 17.444 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.309 33.863 18.382 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.606 34.650 19.259 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.110 36.174 18.477 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.148 35.174 19.916 1.00 0.00 H new ATOM 556 N GLY A 35 33.942 34.265 15.637 1.00 0.00 N ATOM 557 CA GLY A 35 35.248 34.097 15.036 1.00 0.00 C ATOM 558 C GLY A 35 35.723 32.644 15.028 1.00 0.00 C ATOM 559 O GLY A 35 36.672 32.255 14.355 1.00 0.00 O ATOM 0 H GLY A 35 33.178 33.953 15.037 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.221 34.469 14.012 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.972 34.706 15.578 1.00 0.00 H new ATOM 563 N ILE A 36 35.158 31.783 15.861 1.00 0.00 N ATOM 564 CA ILE A 36 35.802 30.553 16.287 1.00 0.00 C ATOM 565 C ILE A 36 35.615 29.415 15.281 1.00 0.00 C ATOM 566 O ILE A 36 34.445 29.127 15.039 1.00 0.00 O ATOM 567 CB ILE A 36 35.333 30.161 17.690 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.379 31.199 18.804 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.863 28.812 18.205 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.195 31.016 19.757 1.00 0.00 C ATOM 0 H ILE A 36 34.231 31.921 16.263 1.00 0.00 H new ATOM 0 HA ILE A 36 36.875 30.741 16.329 1.00 0.00 H new ATOM 0 HB ILE A 36 34.272 30.067 17.457 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.315 31.108 19.356 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.357 32.201 18.376 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.474 28.626 19.206 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.539 28.015 17.536 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.952 28.838 18.238 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.244 31.766 20.546 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.262 31.131 19.205 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.234 30.021 20.199 1.00 0.00 H new ATOM 582 N PRO A 37 36.611 28.703 14.779 1.00 0.00 N ATOM 583 CA PRO A 37 36.401 27.484 14.019 1.00 0.00 C ATOM 584 C PRO A 37 35.834 26.344 14.860 1.00 0.00 C ATOM 585 O PRO A 37 36.354 26.198 15.968 1.00 0.00 O ATOM 586 CB PRO A 37 37.767 27.115 13.442 1.00 0.00 C ATOM 587 CG PRO A 37 38.810 27.732 14.375 1.00 0.00 C ATOM 588 CD PRO A 37 38.029 28.837 15.090 1.00 0.00 C ATOM 0 HA PRO A 37 35.656 27.650 13.241 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.886 26.033 13.387 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.877 27.499 12.428 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.205 26.999 15.078 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.659 28.133 13.821 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.185 28.770 16.167 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.391 29.816 14.776 1.00 0.00 H new ATOM 596 N PRO A 38 34.822 25.588 14.457 1.00 0.00 N ATOM 597 CA PRO A 38 34.089 24.601 15.229 1.00 0.00 C ATOM 598 C PRO A 38 34.893 23.434 15.821 1.00 0.00 C ATOM 599 O PRO A 38 34.420 22.815 16.777 1.00 0.00 O ATOM 600 CB PRO A 38 32.855 24.128 14.458 1.00 0.00 C ATOM 601 CG PRO A 38 33.244 24.573 13.053 1.00 0.00 C ATOM 602 CD PRO A 38 34.216 25.753 13.148 1.00 0.00 C ATOM 0 HA PRO A 38 33.783 25.138 16.127 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.705 23.051 14.529 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.937 24.601 14.807 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.707 23.748 12.513 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.356 24.863 12.492 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.962 25.724 12.354 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.698 26.708 13.063 1.00 0.00 H new ATOM 610 N ASP A 39 35.979 22.981 15.211 1.00 0.00 N ATOM 611 CA ASP A 39 36.546 21.693 15.542 1.00 0.00 C ATOM 612 C ASP A 39 37.313 21.746 16.865 1.00 0.00 C ATOM 613 O ASP A 39 37.400 20.767 17.590 1.00 0.00 O ATOM 614 CB ASP A 39 37.486 21.488 14.355 1.00 0.00 C ATOM 615 CG ASP A 39 38.245 20.171 14.386 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.736 19.088 14.010 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.468 20.268 14.621 1.00 0.00 O ATOM 0 H ASP A 39 36.481 23.491 14.484 1.00 0.00 H new ATOM 0 HA ASP A 39 35.816 20.896 15.684 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.907 21.540 13.433 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.203 22.308 14.327 1.00 0.00 H new ATOM 622 N GLN A 40 37.833 22.910 17.256 1.00 0.00 N ATOM 623 CA GLN A 40 38.440 23.179 18.536 1.00 0.00 C ATOM 624 C GLN A 40 37.540 23.303 19.768 1.00 0.00 C ATOM 625 O GLN A 40 37.989 23.283 20.918 1.00 0.00 O ATOM 626 CB GLN A 40 39.140 24.535 18.341 1.00 0.00 C ATOM 627 CG GLN A 40 40.375 24.636 17.443 1.00 0.00 C ATOM 628 CD GLN A 40 41.601 23.890 17.953 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.863 23.986 19.158 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.333 23.262 17.047 1.00 0.00 N ATOM 0 H GLN A 40 37.836 23.727 16.646 1.00 0.00 H new ATOM 0 HA GLN A 40 39.059 22.313 18.770 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.397 25.230 17.950 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.427 24.897 19.328 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.120 24.253 16.455 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.633 25.688 17.321 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.030 23.239 16.073 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.200 22.801 17.322 1.00 0.00 H new ATOM 639 N GLN A 41 36.231 23.312 19.547 1.00 0.00 N ATOM 640 CA GLN A 41 35.260 23.433 20.609 1.00 0.00 C ATOM 641 C GLN A 41 34.123 22.411 20.514 1.00 0.00 C ATOM 642 O GLN A 41 33.913 21.735 19.508 1.00 0.00 O ATOM 643 CB GLN A 41 34.899 24.863 21.018 1.00 0.00 C ATOM 644 CG GLN A 41 34.721 25.792 19.816 1.00 0.00 C ATOM 645 CD GLN A 41 33.365 25.762 19.137 1.00 0.00 C ATOM 646 OE1 GLN A 41 32.396 25.125 19.578 1.00 0.00 O ATOM 647 NE2 GLN A 41 33.062 26.538 18.096 1.00 0.00 N ATOM 0 H GLN A 41 35.818 23.235 18.617 1.00 0.00 H new ATOM 0 HA GLN A 41 35.782 23.120 21.514 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.978 24.849 21.601 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.680 25.260 21.666 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.918 26.814 20.141 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.480 25.542 19.075 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.786 27.106 17.655 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.106 26.564 17.740 1.00 0.00 H new ATOM 656 N ARG A 42 33.411 22.218 21.625 1.00 0.00 N ATOM 657 CA ARG A 42 32.184 21.455 21.795 1.00 0.00 C ATOM 658 C ARG A 42 31.086 22.297 22.440 1.00 0.00 C ATOM 659 O ARG A 42 31.298 23.322 23.092 1.00 0.00 O ATOM 660 CB ARG A 42 32.594 20.253 22.633 1.00 0.00 C ATOM 661 CG ARG A 42 31.541 19.259 23.127 1.00 0.00 C ATOM 662 CD ARG A 42 32.083 18.048 23.884 1.00 0.00 C ATOM 663 NE ARG A 42 32.864 17.249 22.938 1.00 0.00 N ATOM 664 CZ ARG A 42 34.072 16.696 23.156 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.797 16.860 24.272 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.722 15.877 22.323 1.00 0.00 N ATOM 0 H ARG A 42 33.711 22.632 22.508 1.00 0.00 H new ATOM 0 HA ARG A 42 31.748 21.138 20.847 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.323 19.688 22.052 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.114 20.635 23.512 1.00 0.00 H new ATOM 0 HG2 ARG A 42 30.843 19.788 23.776 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.971 18.904 22.268 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.704 18.366 24.721 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.266 17.459 24.300 1.00 0.00 H new ATOM 0 HE ARG A 42 32.450 17.095 22.019 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.439 17.439 25.032 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.706 16.406 24.361 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.302 15.620 21.429 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.638 15.509 22.581 1.00 0.00 H new ATOM 680 N LEU A 43 29.875 21.925 22.023 1.00 0.00 N ATOM 681 CA LEU A 43 28.583 22.487 22.367 1.00 0.00 C ATOM 682 C LEU A 43 28.008 21.561 23.444 1.00 0.00 C ATOM 683 O LEU A 43 27.819 20.364 23.244 1.00 0.00 O ATOM 684 CB LEU A 43 27.735 22.521 21.098 1.00 0.00 C ATOM 685 CG LEU A 43 28.009 23.725 20.205 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.782 23.517 18.707 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.343 24.986 20.769 1.00 0.00 C ATOM 0 H LEU A 43 29.773 21.146 21.373 1.00 0.00 H new ATOM 0 HA LEU A 43 28.625 23.506 22.751 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.915 21.610 20.528 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.681 22.520 21.377 1.00 0.00 H new ATOM 0 HG LEU A 43 29.088 23.872 20.241 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.008 24.440 18.173 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.434 22.721 18.347 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.742 23.242 18.531 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.553 25.832 20.114 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.266 24.832 20.829 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.737 25.191 21.765 1.00 0.00 H new ATOM 699 N ILE A 44 27.776 22.137 24.621 1.00 0.00 N ATOM 700 CA ILE A 44 27.226 21.545 25.826 1.00 0.00 C ATOM 701 C ILE A 44 25.815 22.123 25.940 1.00 0.00 C ATOM 702 O ILE A 44 25.682 23.339 25.781 1.00 0.00 O ATOM 703 CB ILE A 44 28.093 21.702 27.072 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.577 21.438 26.827 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.455 20.890 28.203 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.909 20.013 26.367 1.00 0.00 C ATOM 0 H ILE A 44 27.991 23.124 24.763 1.00 0.00 H new ATOM 0 HA ILE A 44 27.196 20.458 25.752 1.00 0.00 H new ATOM 0 HB ILE A 44 28.110 22.747 27.381 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.937 22.141 26.076 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.125 21.645 27.746 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.058 20.987 29.106 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.449 21.264 28.397 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.403 19.841 27.913 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.985 19.920 26.219 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.584 19.301 27.126 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.394 19.804 25.429 1.00 0.00 H new ATOM 718 N PHE A 45 24.882 21.304 26.432 1.00 0.00 N ATOM 719 CA PHE A 45 23.603 21.730 26.965 1.00 0.00 C ATOM 720 C PHE A 45 23.270 20.863 28.177 1.00 0.00 C ATOM 721 O PHE A 45 23.501 19.658 28.114 1.00 0.00 O ATOM 722 CB PHE A 45 22.545 21.758 25.859 1.00 0.00 C ATOM 723 CG PHE A 45 21.106 22.153 26.085 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.694 23.395 26.588 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.130 21.151 26.008 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.347 23.741 26.756 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.771 21.420 26.211 1.00 0.00 C ATOM 728 CZ PHE A 45 18.412 22.771 26.386 1.00 0.00 C ATOM 0 H PHE A 45 25.009 20.293 26.468 1.00 0.00 H new ATOM 0 HA PHE A 45 23.636 22.758 27.326 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.928 22.426 25.087 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.523 20.756 25.431 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.449 24.118 26.858 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.435 20.139 25.785 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.049 24.702 27.149 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.034 20.631 26.232 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.385 23.065 26.230 1.00 0.00 H new ATOM 738 N ALA A 46 22.848 21.384 29.329 1.00 0.00 N ATOM 739 CA ALA A 46 22.540 20.732 30.587 1.00 0.00 C ATOM 740 C ALA A 46 23.580 19.711 31.047 1.00 0.00 C ATOM 741 O ALA A 46 23.233 18.729 31.705 1.00 0.00 O ATOM 742 CB ALA A 46 21.144 20.138 30.446 1.00 0.00 C ATOM 0 H ALA A 46 22.699 22.390 29.403 1.00 0.00 H new ATOM 0 HA ALA A 46 22.568 21.471 31.388 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.867 19.635 31.372 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.429 20.934 30.238 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.135 19.420 29.626 1.00 0.00 H new ATOM 748 N GLY A 47 24.825 19.788 30.601 1.00 0.00 N ATOM 749 CA GLY A 47 25.915 18.916 31.001 1.00 0.00 C ATOM 750 C GLY A 47 26.317 17.927 29.910 1.00 0.00 C ATOM 751 O GLY A 47 27.305 17.206 30.000 1.00 0.00 O ATOM 0 H GLY A 47 25.114 20.491 29.921 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.779 19.523 31.270 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.623 18.364 31.894 1.00 0.00 H new ATOM 755 N LYS A 48 25.535 17.905 28.835 1.00 0.00 N ATOM 756 CA LYS A 48 25.604 16.875 27.820 1.00 0.00 C ATOM 757 C LYS A 48 26.094 17.390 26.470 1.00 0.00 C ATOM 758 O LYS A 48 25.678 18.465 26.041 1.00 0.00 O ATOM 759 CB LYS A 48 24.168 16.366 27.725 1.00 0.00 C ATOM 760 CG LYS A 48 24.184 14.848 27.554 1.00 0.00 C ATOM 761 CD LYS A 48 22.821 14.404 27.012 1.00 0.00 C ATOM 762 CE LYS A 48 22.596 12.912 26.761 1.00 0.00 C ATOM 763 NZ LYS A 48 21.185 12.576 26.544 1.00 0.00 N ATOM 0 H LYS A 48 24.827 18.615 28.648 1.00 0.00 H new ATOM 0 HA LYS A 48 26.325 16.102 28.086 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.613 16.637 28.623 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.659 16.834 26.882 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.978 14.553 26.869 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.389 14.362 28.508 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.057 14.743 27.712 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.648 14.930 26.073 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.176 12.604 25.891 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.973 12.345 27.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.093 11.553 26.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.632 12.843 27.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.828 13.094 25.715 1.00 0.00 H new ATOM 777 N GLN A 49 26.911 16.540 25.838 1.00 0.00 N ATOM 778 CA GLN A 49 27.374 16.720 24.479 1.00 0.00 C ATOM 779 C GLN A 49 26.292 16.694 23.407 1.00 0.00 C ATOM 780 O GLN A 49 25.412 15.830 23.441 1.00 0.00 O ATOM 781 CB GLN A 49 28.386 15.603 24.184 1.00 0.00 C ATOM 782 CG GLN A 49 29.052 15.531 22.811 1.00 0.00 C ATOM 783 CD GLN A 49 30.213 14.554 22.705 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.682 14.333 21.584 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.723 13.899 23.747 1.00 0.00 N ATOM 0 H GLN A 49 27.270 15.692 26.277 1.00 0.00 H new ATOM 0 HA GLN A 49 27.802 17.721 24.429 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.179 15.677 24.928 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.880 14.652 24.351 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.298 15.256 22.073 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.410 16.526 22.546 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.353 14.063 24.683 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.483 13.233 23.608 1.00 0.00 H new ATOM 794 N LEU A 50 26.399 17.618 22.463 1.00 0.00 N ATOM 795 CA LEU A 50 25.555 17.866 21.311 1.00 0.00 C ATOM 796 C LEU A 50 26.324 17.362 20.086 1.00 0.00 C ATOM 797 O LEU A 50 27.284 18.051 19.762 1.00 0.00 O ATOM 798 CB LEU A 50 25.045 19.303 21.261 1.00 0.00 C ATOM 799 CG LEU A 50 24.394 19.821 22.545 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.060 21.294 22.330 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.224 18.971 23.031 1.00 0.00 C ATOM 0 H LEU A 50 27.169 18.286 22.493 1.00 0.00 H new ATOM 0 HA LEU A 50 24.617 17.313 21.358 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.880 19.957 21.009 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.321 19.384 20.450 1.00 0.00 H new ATOM 0 HG LEU A 50 25.096 19.734 23.374 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.593 21.696 23.229 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.975 21.847 22.118 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.373 21.392 21.489 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.816 19.402 23.945 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.450 18.946 22.264 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.570 17.957 23.231 1.00 0.00 H new ATOM 813 N GLU A 51 25.936 16.260 19.450 1.00 0.00 N ATOM 814 CA GLU A 51 26.730 15.589 18.445 1.00 0.00 C ATOM 815 C GLU A 51 26.419 16.083 17.032 1.00 0.00 C ATOM 816 O GLU A 51 25.319 16.610 16.846 1.00 0.00 O ATOM 817 CB GLU A 51 26.389 14.097 18.506 1.00 0.00 C ATOM 818 CG GLU A 51 27.173 13.384 19.599 1.00 0.00 C ATOM 819 CD GLU A 51 26.872 11.893 19.680 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.770 11.502 19.253 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.766 11.139 20.133 1.00 0.00 O ATOM 0 H GLU A 51 25.041 15.805 19.628 1.00 0.00 H new ATOM 0 HA GLU A 51 27.782 15.791 18.649 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.321 13.975 18.686 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.605 13.635 17.543 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.239 13.523 19.422 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.946 13.846 20.560 1.00 0.00 H new ATOM 828 N ASP A 52 27.228 15.780 16.024 1.00 0.00 N ATOM 829 CA ASP A 52 27.020 15.998 14.608 1.00 0.00 C ATOM 830 C ASP A 52 25.999 14.970 14.122 1.00 0.00 C ATOM 831 O ASP A 52 26.062 13.767 14.361 1.00 0.00 O ATOM 832 CB ASP A 52 28.367 15.711 13.945 1.00 0.00 C ATOM 833 CG ASP A 52 28.328 15.899 12.439 1.00 0.00 C ATOM 834 OD1 ASP A 52 27.865 16.952 11.943 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.815 15.015 11.692 1.00 0.00 O ATOM 0 H ASP A 52 28.128 15.334 16.200 1.00 0.00 H new ATOM 0 HA ASP A 52 26.665 17.004 14.383 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.125 16.369 14.370 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.669 14.689 14.172 1.00 0.00 H new ATOM 840 N GLY A 53 24.989 15.511 13.433 1.00 0.00 N ATOM 841 CA GLY A 53 24.005 14.884 12.580 1.00 0.00 C ATOM 842 C GLY A 53 22.582 14.843 13.155 1.00 0.00 C ATOM 843 O GLY A 53 21.588 14.849 12.431 1.00 0.00 O ATOM 0 H GLY A 53 24.834 16.518 13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.981 15.414 11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.326 13.864 12.369 1.00 0.00 H new ATOM 847 N ARG A 54 22.494 14.987 14.479 1.00 0.00 N ATOM 848 CA ARG A 54 21.299 14.996 15.300 1.00 0.00 C ATOM 849 C ARG A 54 20.833 16.450 15.368 1.00 0.00 C ATOM 850 O ARG A 54 21.649 17.340 15.163 1.00 0.00 O ATOM 851 CB ARG A 54 21.656 14.318 16.624 1.00 0.00 C ATOM 852 CG ARG A 54 22.475 13.026 16.512 1.00 0.00 C ATOM 853 CD ARG A 54 22.639 12.242 17.816 1.00 0.00 C ATOM 854 NE ARG A 54 21.515 11.318 18.005 1.00 0.00 N ATOM 855 CZ ARG A 54 21.339 10.370 18.931 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.228 10.328 19.939 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.252 9.582 18.961 1.00 0.00 N ATOM 0 H ARG A 54 23.334 15.110 15.045 1.00 0.00 H new ATOM 0 HA ARG A 54 20.451 14.431 14.913 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.214 15.028 17.235 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.732 14.095 17.157 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.002 12.378 15.774 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.465 13.275 16.129 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.576 11.685 17.797 1.00 0.00 H new ATOM 0 HD3 ARG A 54 22.695 12.932 18.658 1.00 0.00 H new ATOM 0 HE ARG A 54 20.756 11.413 17.330 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.994 11.001 19.972 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.137 9.623 20.670 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.521 9.695 18.259 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.158 8.870 19.686 1.00 0.00 H new ATOM 871 N THR A 55 19.524 16.592 15.569 1.00 0.00 N ATOM 872 CA THR A 55 18.712 17.785 15.487 1.00 0.00 C ATOM 873 C THR A 55 18.350 18.307 16.879 1.00 0.00 C ATOM 874 O THR A 55 18.380 17.469 17.775 1.00 0.00 O ATOM 875 CB THR A 55 17.491 17.632 14.595 1.00 0.00 C ATOM 876 OG1 THR A 55 16.568 16.611 14.890 1.00 0.00 O ATOM 877 CG2 THR A 55 17.971 17.245 13.193 1.00 0.00 C ATOM 0 H THR A 55 18.955 15.783 15.819 1.00 0.00 H new ATOM 0 HA THR A 55 19.329 18.539 14.998 1.00 0.00 H new ATOM 0 HB THR A 55 16.988 18.590 14.725 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.837 16.632 14.238 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.111 17.129 12.533 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.625 18.026 12.804 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.519 16.304 13.243 1.00 0.00 H new ATOM 885 N LEU A 56 18.335 19.627 17.022 1.00 0.00 N ATOM 886 CA LEU A 56 18.225 20.392 18.256 1.00 0.00 C ATOM 887 C LEU A 56 17.055 20.069 19.178 1.00 0.00 C ATOM 888 O LEU A 56 17.202 19.684 20.335 1.00 0.00 O ATOM 889 CB LEU A 56 18.326 21.907 18.055 1.00 0.00 C ATOM 890 CG LEU A 56 19.513 22.418 17.230 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.600 23.933 17.441 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.864 21.747 17.475 1.00 0.00 C ATOM 0 H LEU A 56 18.405 20.239 16.209 1.00 0.00 H new ATOM 0 HA LEU A 56 19.110 20.036 18.784 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.408 22.248 17.576 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.367 22.378 19.037 1.00 0.00 H new ATOM 0 HG LEU A 56 19.307 22.150 16.194 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.436 24.333 16.867 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.674 24.401 17.107 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.752 24.145 18.499 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.617 22.200 16.830 1.00 0.00 H new ATOM 0 HD22 LEU A 56 21.152 21.879 18.518 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.787 20.683 17.252 1.00 0.00 H new ATOM 904 N SER A 57 15.823 20.123 18.683 1.00 0.00 N ATOM 905 CA SER A 57 14.582 19.993 19.423 1.00 0.00 C ATOM 906 C SER A 57 14.463 18.582 20.018 1.00 0.00 C ATOM 907 O SER A 57 13.723 18.397 20.978 1.00 0.00 O ATOM 908 CB SER A 57 13.291 20.487 18.779 1.00 0.00 C ATOM 909 OG SER A 57 12.137 20.254 19.565 1.00 0.00 O ATOM 0 H SER A 57 15.659 20.269 17.687 1.00 0.00 H new ATOM 0 HA SER A 57 14.682 20.731 20.219 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.378 21.556 18.585 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.167 19.997 17.813 1.00 0.00 H new ATOM 0 HG SER A 57 12.372 19.690 20.332 1.00 0.00 H new ATOM 915 N ASP A 58 15.182 17.563 19.558 1.00 0.00 N ATOM 916 CA ASP A 58 15.359 16.213 20.056 1.00 0.00 C ATOM 917 C ASP A 58 16.331 16.057 21.232 1.00 0.00 C ATOM 918 O ASP A 58 16.177 15.192 22.091 1.00 0.00 O ATOM 919 CB ASP A 58 15.936 15.264 19.012 1.00 0.00 C ATOM 920 CG ASP A 58 14.990 14.928 17.859 1.00 0.00 C ATOM 921 OD1 ASP A 58 14.012 15.643 17.569 1.00 0.00 O ATOM 922 OD2 ASP A 58 15.224 13.870 17.225 1.00 0.00 O ATOM 0 H ASP A 58 15.729 17.690 18.706 1.00 0.00 H new ATOM 0 HA ASP A 58 14.338 15.976 20.356 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.844 15.706 18.602 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.228 14.337 19.506 1.00 0.00 H new ATOM 927 N TYR A 59 17.227 17.032 21.361 1.00 0.00 N ATOM 928 CA TYR A 59 18.022 17.306 22.539 1.00 0.00 C ATOM 929 C TYR A 59 17.271 18.104 23.595 1.00 0.00 C ATOM 930 O TYR A 59 17.776 18.254 24.704 1.00 0.00 O ATOM 931 CB TYR A 59 19.312 18.025 22.121 1.00 0.00 C ATOM 932 CG TYR A 59 20.342 17.234 21.343 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.821 16.095 22.006 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.864 17.603 20.102 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.816 15.333 21.367 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.854 16.861 19.442 1.00 0.00 C ATOM 937 CZ TYR A 59 22.387 15.807 20.189 1.00 0.00 C ATOM 938 OH TYR A 59 23.483 15.163 19.691 1.00 0.00 O ATOM 0 H TYR A 59 17.423 17.683 20.601 1.00 0.00 H new ATOM 0 HA TYR A 59 18.263 16.351 23.005 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.033 18.892 21.522 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.792 18.403 23.024 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.439 15.812 22.976 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.489 18.499 19.630 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.134 14.390 21.786 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.179 17.086 18.437 1.00 0.00 H new ATOM 0 HH TYR A 59 23.576 14.291 20.128 1.00 0.00 H new ATOM 948 N ASN A 60 16.086 18.659 23.337 1.00 0.00 N ATOM 949 CA ASN A 60 15.143 19.350 24.191 1.00 0.00 C ATOM 950 C ASN A 60 15.624 20.790 24.373 1.00 0.00 C ATOM 951 O ASN A 60 15.706 21.259 25.504 1.00 0.00 O ATOM 952 CB ASN A 60 14.673 18.594 25.437 1.00 0.00 C ATOM 953 CG ASN A 60 13.411 19.127 26.093 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.512 19.415 25.310 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.393 19.418 27.397 1.00 0.00 N ATOM 0 H ASN A 60 15.724 18.623 22.384 1.00 0.00 H new ATOM 0 HA ASN A 60 14.177 19.393 23.688 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.507 17.551 25.166 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.477 18.608 26.173 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.595 19.911 27.799 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.177 19.148 27.991 1.00 0.00 H new ATOM 962 N ILE A 61 15.984 21.449 23.275 1.00 0.00 N ATOM 963 CA ILE A 61 16.302 22.853 23.200 1.00 0.00 C ATOM 964 C ILE A 61 15.109 23.558 22.541 1.00 0.00 C ATOM 965 O ILE A 61 14.462 22.956 21.694 1.00 0.00 O ATOM 966 CB ILE A 61 17.489 23.003 22.249 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.702 22.208 22.733 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.875 24.458 21.970 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.075 22.413 22.087 1.00 0.00 C ATOM 0 H ILE A 61 16.063 20.984 22.371 1.00 0.00 H new ATOM 0 HA ILE A 61 16.520 23.264 24.186 1.00 0.00 H new ATOM 0 HB ILE A 61 17.152 22.586 21.300 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.815 22.410 23.798 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.454 21.151 22.633 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.725 24.485 21.288 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.030 24.978 21.518 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.145 24.948 22.905 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.804 21.760 22.567 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.017 22.173 21.025 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.383 23.452 22.208 1.00 0.00 H new ATOM 981 N GLN A 62 14.842 24.797 22.953 1.00 0.00 N ATOM 982 CA GLN A 62 13.791 25.700 22.541 1.00 0.00 C ATOM 983 C GLN A 62 14.277 27.148 22.402 1.00 0.00 C ATOM 984 O GLN A 62 15.472 27.359 22.218 1.00 0.00 O ATOM 985 CB GLN A 62 12.619 25.409 23.481 1.00 0.00 C ATOM 986 CG GLN A 62 12.758 25.946 24.898 1.00 0.00 C ATOM 987 CD GLN A 62 12.140 24.974 25.889 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.013 24.496 25.769 1.00 0.00 O ATOM 989 NE2 GLN A 62 12.863 24.574 26.932 1.00 0.00 N ATOM 0 H GLN A 62 15.430 25.232 23.664 1.00 0.00 H new ATOM 0 HA GLN A 62 13.441 25.537 21.522 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.713 25.826 23.042 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.479 24.329 23.534 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.811 26.099 25.135 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.269 26.917 24.977 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.803 24.943 27.072 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.477 23.898 27.591 1.00 0.00 H new ATOM 998 N LYS A 63 13.358 28.099 22.457 1.00 0.00 N ATOM 999 CA LYS A 63 13.639 29.517 22.451 1.00 0.00 C ATOM 1000 C LYS A 63 14.073 29.882 23.877 1.00 0.00 C ATOM 1001 O LYS A 63 13.447 29.386 24.817 1.00 0.00 O ATOM 1002 CB LYS A 63 12.421 30.335 21.986 1.00 0.00 C ATOM 1003 CG LYS A 63 12.721 31.822 21.846 1.00 0.00 C ATOM 1004 CD LYS A 63 11.468 32.626 21.482 1.00 0.00 C ATOM 1005 CE LYS A 63 11.772 34.036 20.986 1.00 0.00 C ATOM 1006 NZ LYS A 63 10.581 34.884 20.749 1.00 0.00 N ATOM 0 H LYS A 63 12.361 27.892 22.509 1.00 0.00 H new ATOM 0 HA LYS A 63 14.430 29.755 21.740 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.075 29.948 21.028 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.606 30.200 22.697 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.135 32.198 22.781 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.482 31.968 21.079 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.913 32.090 20.712 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.820 32.689 22.356 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.413 34.531 21.715 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.340 33.965 20.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.883 35.821 20.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.975 34.439 20.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.047 34.988 21.635 1.00 0.00 H new ATOM 1020 N GLU A 64 15.125 30.664 24.068 1.00 0.00 N ATOM 1021 CA GLU A 64 15.691 31.170 25.313 1.00 0.00 C ATOM 1022 C GLU A 64 16.331 29.971 26.019 1.00 0.00 C ATOM 1023 O GLU A 64 16.567 30.010 27.217 1.00 0.00 O ATOM 1024 CB GLU A 64 14.703 31.965 26.161 1.00 0.00 C ATOM 1025 CG GLU A 64 14.378 33.335 25.542 1.00 0.00 C ATOM 1026 CD GLU A 64 13.134 34.012 26.088 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.685 33.486 27.138 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.621 34.989 25.507 1.00 0.00 O ATOM 0 H GLU A 64 15.663 30.997 23.267 1.00 0.00 H new ATOM 0 HA GLU A 64 16.454 31.922 25.112 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.783 31.393 26.276 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.116 32.108 27.159 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.230 33.997 25.697 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.262 33.211 24.465 1.00 0.00 H new ATOM 1035 N SER A 65 16.836 28.960 25.319 1.00 0.00 N ATOM 1036 CA SER A 65 17.797 27.994 25.816 1.00 0.00 C ATOM 1037 C SER A 65 19.146 28.720 25.878 1.00 0.00 C ATOM 1038 O SER A 65 19.444 29.625 25.095 1.00 0.00 O ATOM 1039 CB SER A 65 17.819 26.785 24.884 1.00 0.00 C ATOM 1040 OG SER A 65 16.535 26.188 24.843 1.00 0.00 O ATOM 0 H SER A 65 16.572 28.788 24.349 1.00 0.00 H new ATOM 0 HA SER A 65 17.545 27.617 26.807 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.120 27.092 23.882 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.556 26.061 25.230 1.00 0.00 H new ATOM 0 HG SER A 65 16.596 25.260 25.152 1.00 0.00 H new ATOM 1046 N THR A 66 20.006 28.328 26.809 1.00 0.00 N ATOM 1047 CA THR A 66 21.343 28.745 27.162 1.00 0.00 C ATOM 1048 C THR A 66 22.157 27.500 26.797 1.00 0.00 C ATOM 1049 O THR A 66 22.142 26.529 27.553 1.00 0.00 O ATOM 1050 CB THR A 66 21.456 29.187 28.616 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.819 30.428 28.840 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.865 29.373 29.194 1.00 0.00 C ATOM 0 H THR A 66 19.719 27.578 27.438 1.00 0.00 H new ATOM 0 HA THR A 66 21.695 29.637 26.644 1.00 0.00 H new ATOM 0 HB THR A 66 20.986 28.340 29.116 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.911 30.677 29.783 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.793 29.688 30.235 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.409 28.430 29.137 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.396 30.133 28.621 1.00 0.00 H new ATOM 1060 N LEU A 67 22.861 27.424 25.664 1.00 0.00 N ATOM 1061 CA LEU A 67 23.867 26.442 25.340 1.00 0.00 C ATOM 1062 C LEU A 67 25.212 27.048 25.761 1.00 0.00 C ATOM 1063 O LEU A 67 25.333 28.258 25.891 1.00 0.00 O ATOM 1064 CB LEU A 67 23.863 26.175 23.834 1.00 0.00 C ATOM 1065 CG LEU A 67 22.660 25.324 23.419 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.306 26.034 23.413 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.867 24.881 21.973 1.00 0.00 C ATOM 0 H LEU A 67 22.725 28.096 24.909 1.00 0.00 H new ATOM 0 HA LEU A 67 23.681 25.496 25.850 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.843 27.122 23.295 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.785 25.667 23.551 1.00 0.00 H new ATOM 0 HG LEU A 67 22.621 24.527 24.162 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.530 25.334 23.104 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.084 26.403 24.414 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.338 26.872 22.717 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.021 24.272 21.654 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.945 25.759 21.331 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.783 24.296 21.899 1.00 0.00 H new ATOM 1079 N HIS A 68 26.221 26.218 26.008 1.00 0.00 N ATOM 1080 CA HIS A 68 27.504 26.669 26.499 1.00 0.00 C ATOM 1081 C HIS A 68 28.553 26.179 25.501 1.00 0.00 C ATOM 1082 O HIS A 68 28.392 25.040 25.046 1.00 0.00 O ATOM 1083 CB HIS A 68 27.635 26.077 27.910 1.00 0.00 C ATOM 1084 CG HIS A 68 28.861 26.520 28.663 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.525 25.533 29.385 1.00 0.00 N ATOM 1086 CD2 HIS A 68 29.590 27.680 28.732 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.646 26.115 29.799 1.00 0.00 C ATOM 1088 NE2 HIS A 68 30.760 27.395 29.403 1.00 0.00 N ATOM 0 H HIS A 68 26.164 25.209 25.870 1.00 0.00 H new ATOM 0 HA HIS A 68 27.627 27.749 26.577 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.752 26.349 28.488 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.644 24.990 27.834 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.300 28.641 28.333 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.392 25.610 30.395 1.00 0.00 H new ATOM 0 HE2 HIS A 68 31.547 28.023 29.565 1.00 0.00 H new ATOM 1096 N LEU A 69 29.655 26.901 25.305 1.00 0.00 N ATOM 1097 CA LEU A 69 30.778 26.578 24.455 1.00 0.00 C ATOM 1098 C LEU A 69 31.844 26.105 25.450 1.00 0.00 C ATOM 1099 O LEU A 69 32.014 26.672 26.524 1.00 0.00 O ATOM 1100 CB LEU A 69 31.084 27.784 23.562 1.00 0.00 C ATOM 1101 CG LEU A 69 32.179 27.549 22.527 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.897 28.313 21.236 1.00 0.00 C ATOM 1103 CD2 LEU A 69 33.584 27.877 23.055 1.00 0.00 C ATOM 0 H LEU A 69 29.787 27.795 25.778 1.00 0.00 H new ATOM 0 HA LEU A 69 30.645 25.786 23.718 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.170 28.077 23.044 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.375 28.623 24.194 1.00 0.00 H new ATOM 0 HG LEU A 69 32.165 26.481 22.310 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.696 28.124 20.519 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.947 27.981 20.817 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.846 29.381 21.449 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.320 27.690 22.273 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.626 28.926 23.349 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.804 27.249 23.918 1.00 0.00 H new ATOM 1115 N VAL A 70 32.616 25.063 25.172 1.00 0.00 N ATOM 1116 CA VAL A 70 33.731 24.453 25.865 1.00 0.00 C ATOM 1117 C VAL A 70 34.909 24.140 24.924 1.00 0.00 C ATOM 1118 O VAL A 70 34.711 23.661 23.815 1.00 0.00 O ATOM 1119 CB VAL A 70 33.331 23.361 26.852 1.00 0.00 C ATOM 1120 CG1 VAL A 70 32.375 23.854 27.949 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.870 22.097 26.137 1.00 0.00 C ATOM 0 H VAL A 70 32.437 24.547 24.310 1.00 0.00 H new ATOM 0 HA VAL A 70 34.137 25.209 26.537 1.00 0.00 H new ATOM 0 HB VAL A 70 34.231 23.080 27.399 1.00 0.00 H new ATOM 0 HG11 VAL A 70 32.131 23.028 28.617 1.00 0.00 H new ATOM 0 HG12 VAL A 70 32.854 24.651 28.518 1.00 0.00 H new ATOM 0 HG13 VAL A 70 31.461 24.233 27.492 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.594 21.343 26.874 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.007 22.327 25.512 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.679 21.716 25.514 1.00 0.00 H new ATOM 1131 N LEU A 71 36.143 24.403 25.348 1.00 0.00 N ATOM 1132 CA LEU A 71 37.328 23.929 24.659 1.00 0.00 C ATOM 1133 C LEU A 71 37.912 22.761 25.453 1.00 0.00 C ATOM 1134 O LEU A 71 37.714 22.761 26.667 1.00 0.00 O ATOM 1135 CB LEU A 71 38.436 24.996 24.680 1.00 0.00 C ATOM 1136 CG LEU A 71 38.366 26.027 23.561 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.098 26.858 23.395 1.00 0.00 C ATOM 1138 CD2 LEU A 71 39.370 27.140 23.870 1.00 0.00 C ATOM 0 H LEU A 71 36.344 24.953 26.183 1.00 0.00 H new ATOM 0 HA LEU A 71 37.040 23.670 23.640 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.397 25.518 25.636 1.00 0.00 H new ATOM 0 HB3 LEU A 71 39.402 24.494 24.630 1.00 0.00 H new ATOM 0 HG LEU A 71 38.503 25.396 22.683 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.218 27.540 22.554 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.252 26.197 23.209 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.917 27.431 24.304 1.00 0.00 H new ATOM 0 HD21 LEU A 71 39.336 27.890 23.080 1.00 0.00 H new ATOM 0 HD22 LEU A 71 39.116 27.605 24.823 1.00 0.00 H new ATOM 0 HD23 LEU A 71 40.374 26.719 23.928 1.00 0.00 H new