USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -33:sc= 1.26 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.42 K(o=2.7,f=-5.1!) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0497) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.15 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc= 0.79 K(o=0.79,f=-0.44) 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 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.0436 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 1.79 (180deg=1.67) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 0.939 (180deg=0.391) USER MOD Single : A 31 GLN : amide:sc= -0.443 K(o=-0.44,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 1.14 (180deg=1.12) USER MOD Single : A 40 GLN : amide:sc= 1.08 K(o=1.1,f=-0.17) USER MOD Single : A 41 GLN : amide:sc= 1.05 K(o=1,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00576) USER MOD Single : A 49 GLN : amide:sc= 1.21 K(o=1.2,f=-5.4!) USER MOD Single : A 55 THR OG1 : rot -55:sc= 0.514 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.238 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00218 K(o=-0.0022,f=-0.93) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.521 51.621 19.988 1.00 0.00 N ATOM 2 CA MET A 1 32.968 51.444 21.378 1.00 0.00 C ATOM 3 C MET A 1 34.414 51.917 21.535 1.00 0.00 C ATOM 4 O MET A 1 35.269 51.539 20.737 1.00 0.00 O ATOM 5 CB MET A 1 32.801 49.988 21.804 1.00 0.00 C ATOM 6 CG MET A 1 33.199 49.730 23.254 1.00 0.00 C ATOM 7 SD MET A 1 32.967 48.017 23.790 1.00 0.00 S ATOM 8 CE MET A 1 34.276 47.163 22.876 1.00 0.00 C ATOM 0 H1 MET A 1 31.490 51.491 19.936 1.00 0.00 H new ATOM 0 H2 MET A 1 32.767 52.578 19.664 1.00 0.00 H new ATOM 0 H3 MET A 1 32.990 50.919 19.381 1.00 0.00 H new ATOM 0 HA MET A 1 32.348 52.055 22.034 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.761 49.693 21.663 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.403 49.355 21.152 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.246 50.002 23.386 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.616 50.384 23.902 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.307 46.116 23.178 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.074 47.226 21.807 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.236 47.632 23.092 1.00 0.00 H new ATOM 20 N GLN A 2 34.716 52.702 22.566 1.00 0.00 N ATOM 21 CA GLN A 2 36.035 53.222 22.860 1.00 0.00 C ATOM 22 C GLN A 2 36.694 52.471 24.019 1.00 0.00 C ATOM 23 O GLN A 2 36.069 52.307 25.065 1.00 0.00 O ATOM 24 CB GLN A 2 35.918 54.717 23.149 1.00 0.00 C ATOM 25 CG GLN A 2 37.269 55.361 23.444 1.00 0.00 C ATOM 26 CD GLN A 2 37.159 56.874 23.640 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.442 57.663 22.742 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.734 57.356 24.805 1.00 0.00 N ATOM 0 H GLN A 2 34.015 53.001 23.243 1.00 0.00 H new ATOM 0 HA GLN A 2 36.682 53.072 21.996 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.461 55.215 22.294 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.253 54.869 23.999 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.696 54.911 24.340 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.956 55.152 22.624 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.494 56.718 25.564 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.648 58.363 24.939 1.00 0.00 H new ATOM 37 N ILE A 3 37.957 52.083 23.874 1.00 0.00 N ATOM 38 CA ILE A 3 38.753 51.450 24.906 1.00 0.00 C ATOM 39 C ILE A 3 40.219 51.886 24.849 1.00 0.00 C ATOM 40 O ILE A 3 40.768 52.136 23.778 1.00 0.00 O ATOM 41 CB ILE A 3 38.642 49.929 24.880 1.00 0.00 C ATOM 42 CG1 ILE A 3 38.746 49.336 23.477 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.365 49.460 25.572 1.00 0.00 C ATOM 44 CD1 ILE A 3 38.995 47.830 23.465 1.00 0.00 C ATOM 0 H ILE A 3 38.468 52.208 23.000 1.00 0.00 H new ATOM 0 HA ILE A 3 38.338 51.791 25.854 1.00 0.00 H new ATOM 0 HB ILE A 3 39.503 49.556 25.435 1.00 0.00 H new ATOM 0 HG12 ILE A 3 37.825 49.548 22.933 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.554 49.833 22.941 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.312 48.372 25.539 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.371 49.791 26.610 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.499 49.881 25.062 1.00 0.00 H new ATOM 0 HD11 ILE A 3 39.057 47.480 22.435 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.931 47.612 23.980 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.175 47.322 23.972 1.00 0.00 H new ATOM 56 N PHE A 4 40.884 51.945 25.999 1.00 0.00 N ATOM 57 CA PHE A 4 42.234 52.451 26.145 1.00 0.00 C ATOM 58 C PHE A 4 43.296 51.352 26.077 1.00 0.00 C ATOM 59 O PHE A 4 42.987 50.179 26.282 1.00 0.00 O ATOM 60 CB PHE A 4 42.335 53.256 27.438 1.00 0.00 C ATOM 61 CG PHE A 4 41.208 54.233 27.672 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.365 54.090 28.780 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.979 55.266 26.756 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.298 54.977 28.974 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.895 56.135 26.933 1.00 0.00 C ATOM 66 CZ PHE A 4 39.054 55.993 28.043 1.00 0.00 C ATOM 0 H PHE A 4 40.479 51.630 26.881 1.00 0.00 H new ATOM 0 HA PHE A 4 42.441 53.104 25.297 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.374 52.562 28.278 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.277 53.805 27.434 1.00 0.00 H new ATOM 0 HD1 PHE A 4 40.538 53.293 29.488 1.00 0.00 H new ATOM 0 HD2 PHE A 4 41.639 55.393 25.911 1.00 0.00 H new ATOM 0 HE1 PHE A 4 38.664 54.877 29.842 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.708 56.916 26.211 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.220 56.665 28.180 1.00 0.00 H new ATOM 76 N VAL A 5 44.549 51.714 25.821 1.00 0.00 N ATOM 77 CA VAL A 5 45.711 50.860 25.971 1.00 0.00 C ATOM 78 C VAL A 5 46.779 51.569 26.805 1.00 0.00 C ATOM 79 O VAL A 5 47.038 52.753 26.596 1.00 0.00 O ATOM 80 CB VAL A 5 46.316 50.387 24.652 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.306 49.244 24.867 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.283 49.891 23.644 1.00 0.00 C ATOM 0 H VAL A 5 44.787 52.649 25.490 1.00 0.00 H new ATOM 0 HA VAL A 5 45.357 49.964 26.481 1.00 0.00 H new ATOM 0 HB VAL A 5 46.809 51.273 24.252 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.717 48.933 23.906 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.115 49.580 25.516 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.794 48.402 25.332 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.788 49.572 22.732 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.735 49.050 24.069 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.587 50.697 23.410 1.00 0.00 H new ATOM 92 N LYS A 6 47.384 50.834 27.734 1.00 0.00 N ATOM 93 CA LYS A 6 48.432 51.275 28.631 1.00 0.00 C ATOM 94 C LYS A 6 49.667 50.381 28.499 1.00 0.00 C ATOM 95 O LYS A 6 49.540 49.182 28.261 1.00 0.00 O ATOM 96 CB LYS A 6 47.846 51.295 30.041 1.00 0.00 C ATOM 97 CG LYS A 6 48.606 52.158 31.043 1.00 0.00 C ATOM 98 CD LYS A 6 47.879 52.188 32.385 1.00 0.00 C ATOM 99 CE LYS A 6 48.452 53.200 33.373 1.00 0.00 C ATOM 100 NZ LYS A 6 49.775 52.817 33.889 1.00 0.00 N ATOM 0 H LYS A 6 47.136 49.856 27.884 1.00 0.00 H new ATOM 0 HA LYS A 6 48.776 52.279 28.381 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.817 51.650 29.985 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.811 50.273 30.418 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.614 51.766 31.178 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.707 53.172 30.655 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.827 52.417 32.213 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.920 51.195 32.832 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.526 54.172 32.886 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.762 53.314 34.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.111 53.542 34.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.705 51.903 34.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.446 52.735 33.098 1.00 0.00 H new ATOM 114 N THR A 7 50.858 50.955 28.647 1.00 0.00 N ATOM 115 CA THR A 7 52.140 50.285 28.563 1.00 0.00 C ATOM 116 C THR A 7 53.038 50.608 29.759 1.00 0.00 C ATOM 117 O THR A 7 52.762 51.535 30.518 1.00 0.00 O ATOM 118 CB THR A 7 52.886 50.601 27.270 1.00 0.00 C ATOM 119 OG1 THR A 7 52.986 51.985 27.021 1.00 0.00 O ATOM 120 CG2 THR A 7 52.258 49.962 26.035 1.00 0.00 C ATOM 0 H THR A 7 50.953 51.952 28.839 1.00 0.00 H new ATOM 0 HA THR A 7 51.909 49.220 28.572 1.00 0.00 H new ATOM 0 HB THR A 7 53.876 50.176 27.436 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.473 52.132 26.184 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.839 50.228 25.152 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.250 48.878 26.151 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.236 50.322 25.919 1.00 0.00 H new ATOM 128 N LEU A 8 54.118 49.851 29.929 1.00 0.00 N ATOM 129 CA LEU A 8 55.020 49.936 31.060 1.00 0.00 C ATOM 130 C LEU A 8 55.516 51.346 31.386 1.00 0.00 C ATOM 131 O LEU A 8 55.525 51.703 32.561 1.00 0.00 O ATOM 132 CB LEU A 8 56.214 49.016 30.820 1.00 0.00 C ATOM 133 CG LEU A 8 55.917 47.523 30.717 1.00 0.00 C ATOM 134 CD1 LEU A 8 57.221 46.766 30.485 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.282 46.966 31.988 1.00 0.00 C ATOM 0 H LEU A 8 54.394 49.137 29.255 1.00 0.00 H new ATOM 0 HA LEU A 8 54.440 49.624 31.928 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.706 49.330 29.899 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.928 49.166 31.630 1.00 0.00 H new ATOM 0 HG LEU A 8 55.218 47.393 29.891 1.00 0.00 H new ATOM 0 HD11 LEU A 8 57.014 45.698 30.411 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.682 47.111 29.560 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.900 46.947 31.318 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.091 45.900 31.862 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.959 47.117 32.829 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.342 47.483 32.182 1.00 0.00 H new ATOM 147 N THR A 9 55.915 52.139 30.395 1.00 0.00 N ATOM 148 CA THR A 9 56.458 53.471 30.573 1.00 0.00 C ATOM 149 C THR A 9 55.958 54.509 29.567 1.00 0.00 C ATOM 150 O THR A 9 56.048 55.703 29.846 1.00 0.00 O ATOM 151 CB THR A 9 57.983 53.468 30.548 1.00 0.00 C ATOM 152 OG1 THR A 9 58.488 52.982 29.325 1.00 0.00 O ATOM 153 CG2 THR A 9 58.587 52.605 31.653 1.00 0.00 C ATOM 0 H THR A 9 55.865 51.857 29.416 1.00 0.00 H new ATOM 0 HA THR A 9 56.090 53.770 31.555 1.00 0.00 H new ATOM 0 HB THR A 9 58.265 54.511 30.694 1.00 0.00 H new ATOM 0 HG1 THR A 9 59.468 52.997 29.347 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.675 52.639 31.588 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.269 52.983 32.625 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.249 51.575 31.536 1.00 0.00 H new ATOM 161 N GLY A 10 55.440 54.098 28.414 1.00 0.00 N ATOM 162 CA GLY A 10 54.923 54.986 27.393 1.00 0.00 C ATOM 163 C GLY A 10 53.584 55.639 27.746 1.00 0.00 C ATOM 164 O GLY A 10 52.915 55.259 28.704 1.00 0.00 O ATOM 0 H GLY A 10 55.369 53.112 28.163 1.00 0.00 H new ATOM 0 HA2 GLY A 10 55.657 55.769 27.203 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.807 54.426 26.465 1.00 0.00 H new ATOM 168 N LYS A 11 53.177 56.620 26.947 1.00 0.00 N ATOM 169 CA LYS A 11 51.918 57.328 27.065 1.00 0.00 C ATOM 170 C LYS A 11 50.712 56.406 26.873 1.00 0.00 C ATOM 171 O LYS A 11 50.765 55.491 26.056 1.00 0.00 O ATOM 172 CB LYS A 11 51.884 58.449 26.030 1.00 0.00 C ATOM 173 CG LYS A 11 52.944 59.522 26.257 1.00 0.00 C ATOM 174 CD LYS A 11 53.069 60.411 25.021 1.00 0.00 C ATOM 175 CE LYS A 11 54.119 61.501 25.209 1.00 0.00 C ATOM 176 NZ LYS A 11 54.387 62.218 23.953 1.00 0.00 N ATOM 0 H LYS A 11 53.744 56.954 26.168 1.00 0.00 H new ATOM 0 HA LYS A 11 51.852 57.735 28.074 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.020 58.020 25.037 1.00 0.00 H new ATOM 0 HB3 LYS A 11 50.899 58.915 26.043 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.679 60.127 27.124 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.904 59.054 26.476 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.332 59.799 24.158 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.104 60.870 24.804 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.779 62.207 25.966 1.00 0.00 H new ATOM 0 HE3 LYS A 11 55.043 61.057 25.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.105 62.951 24.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.735 61.548 23.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.510 62.663 23.613 1.00 0.00 H new ATOM 190 N THR A 12 49.601 56.677 27.551 1.00 0.00 N ATOM 191 CA THR A 12 48.346 55.970 27.385 1.00 0.00 C ATOM 192 C THR A 12 47.704 56.359 26.052 1.00 0.00 C ATOM 193 O THR A 12 47.742 57.530 25.684 1.00 0.00 O ATOM 194 CB THR A 12 47.379 56.297 28.520 1.00 0.00 C ATOM 195 OG1 THR A 12 48.006 56.206 29.780 1.00 0.00 O ATOM 196 CG2 THR A 12 46.180 55.356 28.583 1.00 0.00 C ATOM 0 H THR A 12 49.553 57.418 28.251 1.00 0.00 H new ATOM 0 HA THR A 12 48.556 54.900 27.400 1.00 0.00 H new ATOM 0 HB THR A 12 47.048 57.313 28.303 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.359 56.423 30.484 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.534 55.645 29.412 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.621 55.416 27.649 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.527 54.334 28.733 1.00 0.00 H new ATOM 204 N ILE A 13 47.080 55.429 25.334 1.00 0.00 N ATOM 205 CA ILE A 13 46.424 55.677 24.066 1.00 0.00 C ATOM 206 C ILE A 13 44.959 55.234 24.059 1.00 0.00 C ATOM 207 O ILE A 13 44.535 54.423 24.879 1.00 0.00 O ATOM 208 CB ILE A 13 47.188 55.081 22.888 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.227 53.556 22.919 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.588 55.681 22.787 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.716 52.909 21.625 1.00 0.00 C ATOM 0 H ILE A 13 47.019 54.456 25.632 1.00 0.00 H new ATOM 0 HA ILE A 13 46.429 56.760 23.941 1.00 0.00 H new ATOM 0 HB ILE A 13 46.639 55.349 21.985 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.874 53.238 23.736 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.227 53.184 23.141 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.113 55.240 21.939 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.512 56.759 22.646 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.140 55.473 23.704 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.712 51.825 21.736 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.057 53.192 20.805 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.729 53.247 21.409 1.00 0.00 H new ATOM 223 N THR A 14 44.194 55.731 23.092 1.00 0.00 N ATOM 224 CA THR A 14 42.795 55.419 22.880 1.00 0.00 C ATOM 225 C THR A 14 42.571 54.732 21.531 1.00 0.00 C ATOM 226 O THR A 14 43.119 55.167 20.521 1.00 0.00 O ATOM 227 CB THR A 14 41.959 56.692 22.972 1.00 0.00 C ATOM 228 OG1 THR A 14 42.138 57.331 24.216 1.00 0.00 O ATOM 229 CG2 THR A 14 40.460 56.416 22.894 1.00 0.00 C ATOM 0 H THR A 14 44.555 56.393 22.405 1.00 0.00 H new ATOM 0 HA THR A 14 42.482 54.725 23.660 1.00 0.00 H new ATOM 0 HB THR A 14 42.293 57.303 22.134 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.499 56.969 24.865 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.913 57.356 22.964 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.228 55.931 21.946 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.167 55.763 23.716 1.00 0.00 H new ATOM 237 N LEU A 15 41.746 53.689 21.503 1.00 0.00 N ATOM 238 CA LEU A 15 41.296 52.995 20.313 1.00 0.00 C ATOM 239 C LEU A 15 39.769 52.942 20.239 1.00 0.00 C ATOM 240 O LEU A 15 39.088 52.968 21.262 1.00 0.00 O ATOM 241 CB LEU A 15 41.866 51.580 20.281 1.00 0.00 C ATOM 242 CG LEU A 15 43.386 51.453 20.284 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.783 49.979 20.314 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.025 52.073 19.045 1.00 0.00 C ATOM 0 H LEU A 15 41.357 53.289 22.357 1.00 0.00 H new ATOM 0 HA LEU A 15 41.657 53.551 19.448 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.478 51.037 21.143 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.485 51.080 19.391 1.00 0.00 H new ATOM 0 HG LEU A 15 43.740 51.983 21.169 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.870 49.895 20.316 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.381 49.512 21.213 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.382 49.476 19.434 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.107 51.956 19.097 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.648 51.573 18.153 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.777 53.133 19.000 1.00 0.00 H new ATOM 256 N GLU A 16 39.235 52.830 19.026 1.00 0.00 N ATOM 257 CA GLU A 16 37.817 52.692 18.766 1.00 0.00 C ATOM 258 C GLU A 16 37.524 51.461 17.905 1.00 0.00 C ATOM 259 O GLU A 16 38.181 51.226 16.894 1.00 0.00 O ATOM 260 CB GLU A 16 37.302 53.994 18.158 1.00 0.00 C ATOM 261 CG GLU A 16 35.788 53.993 17.960 1.00 0.00 C ATOM 262 CD GLU A 16 35.293 55.393 17.595 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.839 56.003 16.651 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.340 55.881 18.241 1.00 0.00 O ATOM 0 H GLU A 16 39.799 52.834 18.176 1.00 0.00 H new ATOM 0 HA GLU A 16 37.280 52.520 19.699 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.579 54.827 18.804 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.790 54.160 17.197 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.519 53.289 17.172 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.297 53.654 18.872 1.00 0.00 H new ATOM 271 N VAL A 17 36.578 50.644 18.361 1.00 0.00 N ATOM 272 CA VAL A 17 36.322 49.275 17.962 1.00 0.00 C ATOM 273 C VAL A 17 34.838 48.923 18.083 1.00 0.00 C ATOM 274 O VAL A 17 34.074 49.625 18.742 1.00 0.00 O ATOM 275 CB VAL A 17 37.133 48.313 18.826 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.642 48.476 18.663 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.815 48.456 20.311 1.00 0.00 C ATOM 0 H VAL A 17 35.921 50.954 19.077 1.00 0.00 H new ATOM 0 HA VAL A 17 36.619 49.179 16.918 1.00 0.00 H new ATOM 0 HB VAL A 17 36.838 47.326 18.469 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.157 47.762 19.306 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.918 48.294 17.624 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.931 49.489 18.943 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.418 47.750 20.882 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.041 49.472 20.635 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.758 48.249 20.478 1.00 0.00 H new ATOM 287 N GLU A 18 34.422 47.793 17.521 1.00 0.00 N ATOM 288 CA GLU A 18 33.150 47.157 17.803 1.00 0.00 C ATOM 289 C GLU A 18 33.354 45.882 18.624 1.00 0.00 C ATOM 290 O GLU A 18 34.380 45.228 18.448 1.00 0.00 O ATOM 291 CB GLU A 18 32.396 46.847 16.514 1.00 0.00 C ATOM 292 CG GLU A 18 32.023 48.055 15.658 1.00 0.00 C ATOM 293 CD GLU A 18 31.034 49.024 16.307 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.213 48.617 17.158 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.023 50.221 15.947 1.00 0.00 O ATOM 0 H GLU A 18 34.981 47.283 16.837 1.00 0.00 H new ATOM 0 HA GLU A 18 32.549 47.853 18.389 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.005 46.172 15.912 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.483 46.310 16.769 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.933 48.600 15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.598 47.699 14.719 1.00 0.00 H new ATOM 302 N PRO A 19 32.430 45.454 19.479 1.00 0.00 N ATOM 303 CA PRO A 19 32.569 44.241 20.259 1.00 0.00 C ATOM 304 C PRO A 19 32.854 42.960 19.473 1.00 0.00 C ATOM 305 O PRO A 19 33.455 42.036 20.016 1.00 0.00 O ATOM 306 CB PRO A 19 31.272 44.105 21.051 1.00 0.00 C ATOM 307 CG PRO A 19 30.840 45.556 21.238 1.00 0.00 C ATOM 308 CD PRO A 19 31.268 46.199 19.922 1.00 0.00 C ATOM 0 HA PRO A 19 33.457 44.345 20.882 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.525 43.527 20.508 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.431 43.604 22.006 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.766 45.642 21.401 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.331 46.019 22.094 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.467 46.150 19.184 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.509 47.253 20.062 1.00 0.00 H new ATOM 316 N SER A 20 32.455 42.897 18.206 1.00 0.00 N ATOM 317 CA SER A 20 32.722 41.808 17.289 1.00 0.00 C ATOM 318 C SER A 20 34.064 41.874 16.557 1.00 0.00 C ATOM 319 O SER A 20 34.354 40.981 15.764 1.00 0.00 O ATOM 320 CB SER A 20 31.567 41.654 16.303 1.00 0.00 C ATOM 321 OG SER A 20 31.328 42.847 15.591 1.00 0.00 O ATOM 0 H SER A 20 31.910 43.644 17.776 1.00 0.00 H new ATOM 0 HA SER A 20 32.804 40.921 17.917 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.792 40.850 15.602 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.665 41.364 16.842 1.00 0.00 H new ATOM 0 HG SER A 20 30.584 42.713 14.968 1.00 0.00 H new ATOM 327 N ASP A 21 34.904 42.881 16.781 1.00 0.00 N ATOM 328 CA ASP A 21 36.258 42.909 16.266 1.00 0.00 C ATOM 329 C ASP A 21 37.149 41.895 16.985 1.00 0.00 C ATOM 330 O ASP A 21 36.982 41.661 18.180 1.00 0.00 O ATOM 331 CB ASP A 21 36.858 44.308 16.374 1.00 0.00 C ATOM 332 CG ASP A 21 36.216 45.349 15.454 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.361 46.559 15.733 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.669 44.995 14.387 1.00 0.00 O ATOM 0 H ASP A 21 34.656 43.704 17.330 1.00 0.00 H new ATOM 0 HA ASP A 21 36.210 42.633 15.213 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.768 44.649 17.405 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.923 44.251 16.149 1.00 0.00 H new ATOM 339 N THR A 22 38.108 41.308 16.275 1.00 0.00 N ATOM 340 CA THR A 22 39.044 40.348 16.825 1.00 0.00 C ATOM 341 C THR A 22 40.347 40.986 17.311 1.00 0.00 C ATOM 342 O THR A 22 40.734 42.056 16.846 1.00 0.00 O ATOM 343 CB THR A 22 39.317 39.154 15.916 1.00 0.00 C ATOM 344 OG1 THR A 22 39.956 39.495 14.706 1.00 0.00 O ATOM 345 CG2 THR A 22 38.049 38.376 15.570 1.00 0.00 C ATOM 0 H THR A 22 38.254 41.494 15.283 1.00 0.00 H new ATOM 0 HA THR A 22 38.531 39.953 17.702 1.00 0.00 H new ATOM 0 HB THR A 22 39.989 38.531 16.507 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.660 40.384 14.419 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.302 37.538 14.921 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.591 38.001 16.485 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.348 39.033 15.056 1.00 0.00 H new ATOM 353 N ILE A 23 41.056 40.328 18.224 1.00 0.00 N ATOM 354 CA ILE A 23 42.259 40.856 18.833 1.00 0.00 C ATOM 355 C ILE A 23 43.351 41.160 17.805 1.00 0.00 C ATOM 356 O ILE A 23 44.034 42.172 17.943 1.00 0.00 O ATOM 357 CB ILE A 23 42.736 39.936 19.953 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.708 39.722 21.061 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.055 40.397 20.568 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.183 40.972 21.760 1.00 0.00 C ATOM 0 H ILE A 23 40.802 39.400 18.562 1.00 0.00 H new ATOM 0 HA ILE A 23 42.014 41.819 19.282 1.00 0.00 H new ATOM 0 HB ILE A 23 42.889 38.977 19.458 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.858 39.187 20.638 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.151 39.071 21.815 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.348 39.707 21.359 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.828 40.417 19.799 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.932 41.397 20.985 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.461 40.685 22.525 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.013 41.504 22.226 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.700 41.621 21.030 1.00 0.00 H new ATOM 372 N GLU A 24 43.488 40.391 16.728 1.00 0.00 N ATOM 373 CA GLU A 24 44.411 40.714 15.659 1.00 0.00 C ATOM 374 C GLU A 24 44.092 42.029 14.944 1.00 0.00 C ATOM 375 O GLU A 24 45.007 42.701 14.473 1.00 0.00 O ATOM 376 CB GLU A 24 44.548 39.563 14.666 1.00 0.00 C ATOM 377 CG GLU A 24 43.268 39.217 13.911 1.00 0.00 C ATOM 378 CD GLU A 24 43.533 38.208 12.792 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.188 37.013 12.931 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.082 38.601 11.740 1.00 0.00 O ATOM 0 H GLU A 24 42.961 39.530 16.578 1.00 0.00 H new ATOM 0 HA GLU A 24 45.376 40.864 16.144 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.323 39.815 13.943 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.888 38.677 15.202 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.534 38.808 14.605 1.00 0.00 H new ATOM 0 HG3 GLU A 24 42.836 40.125 13.489 1.00 0.00 H new ATOM 387 N ASN A 25 42.831 42.449 14.917 1.00 0.00 N ATOM 388 CA ASN A 25 42.430 43.735 14.385 1.00 0.00 C ATOM 389 C ASN A 25 42.802 44.876 15.334 1.00 0.00 C ATOM 390 O ASN A 25 43.213 45.942 14.882 1.00 0.00 O ATOM 391 CB ASN A 25 40.935 43.768 14.079 1.00 0.00 C ATOM 392 CG ASN A 25 40.397 42.596 13.258 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.448 41.922 13.653 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.944 42.348 12.071 1.00 0.00 N ATOM 0 H ASN A 25 42.052 41.893 15.271 1.00 0.00 H new ATOM 0 HA ASN A 25 42.975 43.878 13.452 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.391 43.806 15.023 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.713 44.692 13.546 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.576 41.597 11.487 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.731 42.909 11.745 1.00 0.00 H new ATOM 401 N VAL A 26 42.740 44.650 16.643 1.00 0.00 N ATOM 402 CA VAL A 26 43.187 45.601 17.641 1.00 0.00 C ATOM 403 C VAL A 26 44.706 45.769 17.559 1.00 0.00 C ATOM 404 O VAL A 26 45.192 46.896 17.495 1.00 0.00 O ATOM 405 CB VAL A 26 42.752 45.196 19.046 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.097 46.268 20.075 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.247 44.957 19.132 1.00 0.00 C ATOM 0 H VAL A 26 42.371 43.786 17.040 1.00 0.00 H new ATOM 0 HA VAL A 26 42.715 46.561 17.430 1.00 0.00 H new ATOM 0 HB VAL A 26 43.291 44.274 19.262 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.771 45.942 21.063 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.175 46.431 20.084 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.592 47.198 19.815 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.982 44.671 20.150 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.717 45.871 18.862 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.966 44.158 18.446 1.00 0.00 H new ATOM 417 N LYS A 27 45.453 44.677 17.435 1.00 0.00 N ATOM 418 CA LYS A 27 46.887 44.711 17.224 1.00 0.00 C ATOM 419 C LYS A 27 47.285 45.488 15.968 1.00 0.00 C ATOM 420 O LYS A 27 48.296 46.187 15.994 1.00 0.00 O ATOM 421 CB LYS A 27 47.462 43.300 17.123 1.00 0.00 C ATOM 422 CG LYS A 27 47.504 42.532 18.441 1.00 0.00 C ATOM 423 CD LYS A 27 48.226 41.210 18.196 1.00 0.00 C ATOM 424 CE LYS A 27 48.626 40.513 19.493 1.00 0.00 C ATOM 425 NZ LYS A 27 49.461 39.344 19.176 1.00 0.00 N ATOM 0 H LYS A 27 45.070 43.733 17.480 1.00 0.00 H new ATOM 0 HA LYS A 27 47.299 45.225 18.092 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.870 42.732 16.406 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.474 43.363 16.722 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.022 43.113 19.204 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.494 42.352 18.809 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.581 40.550 17.616 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.117 41.392 17.596 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.173 41.202 20.136 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.737 40.202 20.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.888 38.976 20.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.873 38.605 18.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.213 39.624 18.514 1.00 0.00 H new ATOM 439 N ALA A 28 46.509 45.406 14.891 1.00 0.00 N ATOM 440 CA ALA A 28 46.765 46.157 13.678 1.00 0.00 C ATOM 441 C ALA A 28 46.590 47.666 13.853 1.00 0.00 C ATOM 442 O ALA A 28 47.395 48.433 13.329 1.00 0.00 O ATOM 443 CB ALA A 28 45.885 45.601 12.560 1.00 0.00 C ATOM 0 H ALA A 28 45.682 44.812 14.841 1.00 0.00 H new ATOM 0 HA ALA A 28 47.815 46.030 13.412 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.068 46.158 11.641 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.122 44.549 12.400 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.836 45.698 12.840 1.00 0.00 H new ATOM 449 N LYS A 29 45.634 48.122 14.658 1.00 0.00 N ATOM 450 CA LYS A 29 45.516 49.518 15.027 1.00 0.00 C ATOM 451 C LYS A 29 46.654 49.980 15.939 1.00 0.00 C ATOM 452 O LYS A 29 47.147 51.093 15.774 1.00 0.00 O ATOM 453 CB LYS A 29 44.146 49.809 15.631 1.00 0.00 C ATOM 454 CG LYS A 29 43.058 49.816 14.560 1.00 0.00 C ATOM 455 CD LYS A 29 41.677 50.092 15.147 1.00 0.00 C ATOM 456 CE LYS A 29 40.684 50.330 14.012 1.00 0.00 C ATOM 457 NZ LYS A 29 39.304 50.410 14.515 1.00 0.00 N ATOM 0 H LYS A 29 44.918 47.525 15.072 1.00 0.00 H new ATOM 0 HA LYS A 29 45.606 50.102 14.111 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.912 49.058 16.385 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.167 50.774 16.138 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.291 50.573 13.812 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.048 48.854 14.048 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.354 49.249 15.757 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.715 50.963 15.801 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.938 51.254 13.492 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.761 49.523 13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.746 51.037 13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.880 49.461 14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.309 50.789 15.483 1.00 0.00 H new ATOM 471 N ILE A 30 47.137 49.123 16.835 1.00 0.00 N ATOM 472 CA ILE A 30 48.312 49.384 17.642 1.00 0.00 C ATOM 473 C ILE A 30 49.574 49.451 16.780 1.00 0.00 C ATOM 474 O ILE A 30 50.414 50.316 17.013 1.00 0.00 O ATOM 475 CB ILE A 30 48.427 48.381 18.787 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.248 48.529 19.744 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.738 48.532 19.552 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.123 47.408 20.773 1.00 0.00 C ATOM 0 H ILE A 30 46.711 48.214 17.019 1.00 0.00 H new ATOM 0 HA ILE A 30 48.201 50.367 18.101 1.00 0.00 H new ATOM 0 HB ILE A 30 48.414 47.385 18.345 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.340 49.479 20.270 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.328 48.575 19.162 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.776 47.798 20.357 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.576 48.370 18.874 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.800 49.536 19.973 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.259 47.594 21.411 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.996 46.455 20.259 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.025 47.373 21.385 1.00 0.00 H new ATOM 490 N GLN A 31 49.707 48.635 15.738 1.00 0.00 N ATOM 491 CA GLN A 31 50.799 48.740 14.791 1.00 0.00 C ATOM 492 C GLN A 31 50.765 50.073 14.042 1.00 0.00 C ATOM 493 O GLN A 31 51.815 50.677 13.835 1.00 0.00 O ATOM 494 CB GLN A 31 50.781 47.536 13.854 1.00 0.00 C ATOM 495 CG GLN A 31 51.843 47.591 12.761 1.00 0.00 C ATOM 496 CD GLN A 31 51.861 46.330 11.893 1.00 0.00 C ATOM 497 OE1 GLN A 31 52.864 45.628 11.787 1.00 0.00 O ATOM 498 NE2 GLN A 31 50.759 46.012 11.219 1.00 0.00 N ATOM 0 H GLN A 31 49.053 47.880 15.531 1.00 0.00 H new ATOM 0 HA GLN A 31 51.745 48.728 15.332 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.924 46.629 14.441 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.798 47.464 13.389 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.663 48.460 12.128 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.823 47.727 13.218 1.00 0.00 H new ATOM 0 HE21 GLN A 31 49.924 46.592 11.304 1.00 0.00 H new ATOM 0 HE22 GLN A 31 50.749 45.188 10.617 1.00 0.00 H new ATOM 507 N ASP A 32 49.593 50.574 13.662 1.00 0.00 N ATOM 508 CA ASP A 32 49.462 51.856 13.000 1.00 0.00 C ATOM 509 C ASP A 32 49.735 53.051 13.916 1.00 0.00 C ATOM 510 O ASP A 32 50.454 53.960 13.510 1.00 0.00 O ATOM 511 CB ASP A 32 48.093 51.944 12.332 1.00 0.00 C ATOM 512 CG ASP A 32 47.904 53.248 11.555 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.084 54.091 11.980 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.573 53.440 10.517 1.00 0.00 O ATOM 0 H ASP A 32 48.705 50.094 13.809 1.00 0.00 H new ATOM 0 HA ASP A 32 50.238 51.913 12.237 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.968 51.099 11.654 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.316 51.861 13.091 1.00 0.00 H new ATOM 519 N LYS A 33 49.218 53.065 15.141 1.00 0.00 N ATOM 520 CA LYS A 33 49.438 54.143 16.084 1.00 0.00 C ATOM 521 C LYS A 33 50.819 54.131 16.744 1.00 0.00 C ATOM 522 O LYS A 33 51.400 55.201 16.912 1.00 0.00 O ATOM 523 CB LYS A 33 48.339 54.201 17.141 1.00 0.00 C ATOM 524 CG LYS A 33 46.986 54.615 16.569 1.00 0.00 C ATOM 525 CD LYS A 33 46.022 55.098 17.648 1.00 0.00 C ATOM 526 CE LYS A 33 44.652 55.370 17.033 1.00 0.00 C ATOM 527 NZ LYS A 33 43.737 56.073 17.946 1.00 0.00 N ATOM 0 H LYS A 33 48.628 52.317 15.506 1.00 0.00 H new ATOM 0 HA LYS A 33 49.400 55.051 15.482 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.244 53.223 17.613 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.629 54.905 17.921 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.132 55.407 15.835 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.543 53.770 16.042 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.936 54.347 18.434 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.408 56.005 18.114 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.779 55.963 16.127 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.201 54.424 16.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.799 56.153 17.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.656 55.539 18.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.108 57.024 18.146 1.00 0.00 H new ATOM 541 N GLU A 34 51.366 52.975 17.105 1.00 0.00 N ATOM 542 CA GLU A 34 52.543 52.836 17.939 1.00 0.00 C ATOM 543 C GLU A 34 53.763 52.236 17.235 1.00 0.00 C ATOM 544 O GLU A 34 54.839 52.201 17.827 1.00 0.00 O ATOM 545 CB GLU A 34 52.210 52.008 19.177 1.00 0.00 C ATOM 546 CG GLU A 34 51.078 52.532 20.056 1.00 0.00 C ATOM 547 CD GLU A 34 51.508 53.735 20.898 1.00 0.00 C ATOM 548 OE1 GLU A 34 51.897 53.533 22.069 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.478 54.882 20.402 1.00 0.00 O ATOM 0 H GLU A 34 50.982 52.077 16.810 1.00 0.00 H new ATOM 0 HA GLU A 34 52.826 53.853 18.211 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.954 50.999 18.855 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.109 51.929 19.788 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.233 52.814 19.427 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.733 51.735 20.714 1.00 0.00 H new ATOM 556 N GLY A 35 53.636 51.746 16.005 1.00 0.00 N ATOM 557 CA GLY A 35 54.738 51.214 15.228 1.00 0.00 C ATOM 558 C GLY A 35 55.202 49.805 15.604 1.00 0.00 C ATOM 559 O GLY A 35 56.276 49.390 15.173 1.00 0.00 O ATOM 0 H GLY A 35 52.742 51.710 15.515 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.449 51.212 14.177 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.586 51.892 15.324 1.00 0.00 H new ATOM 563 N ILE A 36 54.434 49.073 16.406 1.00 0.00 N ATOM 564 CA ILE A 36 54.819 47.805 16.992 1.00 0.00 C ATOM 565 C ILE A 36 54.284 46.649 16.144 1.00 0.00 C ATOM 566 O ILE A 36 53.066 46.522 16.044 1.00 0.00 O ATOM 567 CB ILE A 36 54.325 47.700 18.432 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.721 48.885 19.307 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.853 46.417 19.068 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.941 48.994 20.615 1.00 0.00 C ATOM 0 H ILE A 36 53.493 49.363 16.672 1.00 0.00 H new ATOM 0 HA ILE A 36 55.907 47.746 17.009 1.00 0.00 H new ATOM 0 HB ILE A 36 53.236 47.694 18.377 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.784 48.811 19.537 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.581 49.804 18.738 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.497 46.347 20.096 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.497 45.557 18.502 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.943 46.429 19.061 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.287 49.864 21.174 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.878 49.102 20.397 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.100 48.094 21.209 1.00 0.00 H new ATOM 582 N PRO A 37 55.107 45.762 15.591 1.00 0.00 N ATOM 583 CA PRO A 37 54.650 44.600 14.855 1.00 0.00 C ATOM 584 C PRO A 37 53.759 43.673 15.685 1.00 0.00 C ATOM 585 O PRO A 37 54.031 43.471 16.867 1.00 0.00 O ATOM 586 CB PRO A 37 55.898 43.873 14.365 1.00 0.00 C ATOM 587 CG PRO A 37 56.939 44.987 14.303 1.00 0.00 C ATOM 588 CD PRO A 37 56.551 45.842 15.506 1.00 0.00 C ATOM 0 HA PRO A 37 54.021 44.920 14.024 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.197 43.078 15.048 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.741 43.412 13.390 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.955 44.602 14.385 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.885 45.546 13.369 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.019 45.471 16.418 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.880 46.873 15.376 1.00 0.00 H new ATOM 596 N PRO A 38 52.715 43.077 15.118 1.00 0.00 N ATOM 597 CA PRO A 38 51.695 42.377 15.872 1.00 0.00 C ATOM 598 C PRO A 38 52.178 41.095 16.555 1.00 0.00 C ATOM 599 O PRO A 38 51.607 40.708 17.573 1.00 0.00 O ATOM 600 CB PRO A 38 50.573 42.114 14.872 1.00 0.00 C ATOM 601 CG PRO A 38 51.290 42.050 13.526 1.00 0.00 C ATOM 602 CD PRO A 38 52.360 43.122 13.714 1.00 0.00 C ATOM 0 HA PRO A 38 51.367 42.985 16.715 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.052 41.182 15.092 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.827 42.909 14.890 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.720 41.067 13.334 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.624 42.274 12.693 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.227 42.925 13.084 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.982 44.106 13.437 1.00 0.00 H new ATOM 610 N ASP A 39 53.252 40.474 16.074 1.00 0.00 N ATOM 611 CA ASP A 39 53.864 39.336 16.730 1.00 0.00 C ATOM 612 C ASP A 39 54.632 39.719 17.997 1.00 0.00 C ATOM 613 O ASP A 39 54.773 38.895 18.897 1.00 0.00 O ATOM 614 CB ASP A 39 54.715 38.531 15.752 1.00 0.00 C ATOM 615 CG ASP A 39 56.055 39.183 15.404 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.054 40.246 14.748 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.109 38.598 15.738 1.00 0.00 O ATOM 0 H ASP A 39 53.721 40.753 15.212 1.00 0.00 H new ATOM 0 HA ASP A 39 53.054 38.690 17.068 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.903 37.545 16.177 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.148 38.379 14.834 1.00 0.00 H new ATOM 622 N GLN A 40 55.075 40.967 18.121 1.00 0.00 N ATOM 623 CA GLN A 40 55.742 41.458 19.310 1.00 0.00 C ATOM 624 C GLN A 40 54.776 41.880 20.420 1.00 0.00 C ATOM 625 O GLN A 40 55.215 42.060 21.553 1.00 0.00 O ATOM 626 CB GLN A 40 56.689 42.601 18.953 1.00 0.00 C ATOM 627 CG GLN A 40 57.878 42.141 18.112 1.00 0.00 C ATOM 628 CD GLN A 40 58.875 43.273 17.860 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.042 43.771 16.748 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.586 43.739 18.883 1.00 0.00 N ATOM 0 H GLN A 40 54.977 41.669 17.387 1.00 0.00 H new ATOM 0 HA GLN A 40 56.316 40.623 19.711 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.138 43.367 18.407 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.055 43.064 19.870 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.384 41.319 18.619 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.519 41.755 17.158 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.463 43.340 19.814 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.254 44.495 18.737 1.00 0.00 H new ATOM 639 N GLN A 41 53.487 42.034 20.129 1.00 0.00 N ATOM 640 CA GLN A 41 52.489 42.517 21.061 1.00 0.00 C ATOM 641 C GLN A 41 51.873 41.380 21.880 1.00 0.00 C ATOM 642 O GLN A 41 51.366 40.423 21.297 1.00 0.00 O ATOM 643 CB GLN A 41 51.382 43.254 20.311 1.00 0.00 C ATOM 644 CG GLN A 41 51.811 44.487 19.521 1.00 0.00 C ATOM 645 CD GLN A 41 50.628 45.122 18.788 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.503 45.146 19.284 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.800 45.657 17.582 1.00 0.00 N ATOM 0 H GLN A 41 53.103 41.818 19.209 1.00 0.00 H new ATOM 0 HA GLN A 41 52.992 43.197 21.748 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.909 42.553 19.623 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.622 43.556 21.032 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.256 45.217 20.197 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.580 44.209 18.801 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.723 45.650 17.148 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.009 46.074 17.091 1.00 0.00 H new ATOM 656 N ARG A 42 51.822 41.512 23.202 1.00 0.00 N ATOM 657 CA ARG A 42 51.003 40.713 24.091 1.00 0.00 C ATOM 658 C ARG A 42 49.955 41.603 24.762 1.00 0.00 C ATOM 659 O ARG A 42 50.333 42.581 25.403 1.00 0.00 O ATOM 660 CB ARG A 42 51.858 40.057 25.171 1.00 0.00 C ATOM 661 CG ARG A 42 52.949 39.108 24.683 1.00 0.00 C ATOM 662 CD ARG A 42 53.922 38.768 25.807 1.00 0.00 C ATOM 663 NE ARG A 42 53.268 38.115 26.941 1.00 0.00 N ATOM 664 CZ ARG A 42 53.640 38.111 28.228 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.670 38.812 28.723 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.946 37.353 29.088 1.00 0.00 N ATOM 0 H ARG A 42 52.376 42.210 23.698 1.00 0.00 H new ATOM 0 HA ARG A 42 50.516 39.936 23.502 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.327 40.844 25.761 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.199 39.506 25.842 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.496 38.193 24.301 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.490 39.566 23.855 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.705 38.116 25.420 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.408 39.681 26.150 1.00 0.00 H new ATOM 0 HE ARG A 42 52.418 37.595 26.723 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.231 39.399 28.106 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.893 38.758 29.717 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.157 36.798 28.757 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.207 37.331 30.074 1.00 0.00 H new ATOM 680 N LEU A 43 48.670 41.281 24.638 1.00 0.00 N ATOM 681 CA LEU A 43 47.581 42.060 25.191 1.00 0.00 C ATOM 682 C LEU A 43 46.922 41.352 26.376 1.00 0.00 C ATOM 683 O LEU A 43 46.601 40.168 26.299 1.00 0.00 O ATOM 684 CB LEU A 43 46.576 42.393 24.091 1.00 0.00 C ATOM 685 CG LEU A 43 47.076 43.422 23.082 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.141 43.472 21.876 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.143 44.821 23.686 1.00 0.00 C ATOM 0 H LEU A 43 48.356 40.450 24.137 1.00 0.00 H new ATOM 0 HA LEU A 43 47.984 42.994 25.582 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.317 41.477 23.561 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.661 42.766 24.551 1.00 0.00 H new ATOM 0 HG LEU A 43 48.078 43.114 22.783 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.507 44.210 21.162 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.108 42.492 21.400 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.139 43.750 22.204 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.504 45.524 22.936 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.149 45.122 24.018 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.824 44.818 24.537 1.00 0.00 H new ATOM 699 N ILE A 44 46.716 42.087 27.465 1.00 0.00 N ATOM 700 CA ILE A 44 46.193 41.618 28.732 1.00 0.00 C ATOM 701 C ILE A 44 44.987 42.455 29.161 1.00 0.00 C ATOM 702 O ILE A 44 44.988 43.676 29.019 1.00 0.00 O ATOM 703 CB ILE A 44 47.300 41.586 29.781 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.419 40.632 29.373 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.772 41.211 31.162 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.670 40.676 30.247 1.00 0.00 C ATOM 0 H ILE A 44 46.924 43.085 27.481 1.00 0.00 H new ATOM 0 HA ILE A 44 45.834 40.595 28.619 1.00 0.00 H new ATOM 0 HB ILE A 44 47.703 42.597 29.840 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.027 39.615 29.381 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.707 40.855 28.346 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.596 41.201 31.876 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.027 41.942 31.477 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.315 40.222 31.121 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.402 39.961 29.871 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.096 41.679 30.222 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.406 40.420 31.273 1.00 0.00 H new ATOM 718 N PHE A 45 43.966 41.815 29.724 1.00 0.00 N ATOM 719 CA PHE A 45 42.819 42.450 30.341 1.00 0.00 C ATOM 720 C PHE A 45 42.363 41.683 31.584 1.00 0.00 C ATOM 721 O PHE A 45 42.144 40.475 31.520 1.00 0.00 O ATOM 722 CB PHE A 45 41.687 42.556 29.322 1.00 0.00 C ATOM 723 CG PHE A 45 40.444 43.221 29.861 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.497 44.556 30.276 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.245 42.505 29.979 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.366 45.168 30.830 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.103 43.130 30.493 1.00 0.00 C ATOM 728 CZ PHE A 45 38.163 44.458 30.930 1.00 0.00 C ATOM 0 H PHE A 45 43.919 40.797 29.761 1.00 0.00 H new ATOM 0 HA PHE A 45 43.104 43.451 30.664 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.041 43.116 28.456 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.430 41.556 28.972 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.414 45.117 30.169 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.202 41.470 29.673 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.421 46.188 31.180 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.172 42.585 30.553 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.285 44.933 31.343 1.00 0.00 H new ATOM 738 N ALA A 46 42.218 42.377 32.709 1.00 0.00 N ATOM 739 CA ALA A 46 41.862 41.811 33.994 1.00 0.00 C ATOM 740 C ALA A 46 42.700 40.591 34.382 1.00 0.00 C ATOM 741 O ALA A 46 42.186 39.546 34.773 1.00 0.00 O ATOM 742 CB ALA A 46 40.351 41.603 34.043 1.00 0.00 C ATOM 0 H ALA A 46 42.352 43.388 32.745 1.00 0.00 H new ATOM 0 HA ALA A 46 42.119 42.521 34.780 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.073 41.177 35.007 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.847 42.561 33.911 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.051 40.923 33.246 1.00 0.00 H new ATOM 748 N GLY A 47 44.012 40.694 34.189 1.00 0.00 N ATOM 749 CA GLY A 47 45.000 39.662 34.432 1.00 0.00 C ATOM 750 C GLY A 47 45.073 38.531 33.405 1.00 0.00 C ATOM 751 O GLY A 47 45.988 37.715 33.489 1.00 0.00 O ATOM 0 H GLY A 47 44.433 41.554 33.838 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.980 40.135 34.489 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.801 39.223 35.410 1.00 0.00 H new ATOM 755 N LYS A 48 44.159 38.465 32.441 1.00 0.00 N ATOM 756 CA LYS A 48 44.093 37.439 31.420 1.00 0.00 C ATOM 757 C LYS A 48 44.758 37.901 30.121 1.00 0.00 C ATOM 758 O LYS A 48 44.411 38.965 29.614 1.00 0.00 O ATOM 759 CB LYS A 48 42.631 37.062 31.203 1.00 0.00 C ATOM 760 CG LYS A 48 42.459 35.889 30.243 1.00 0.00 C ATOM 761 CD LYS A 48 41.006 35.452 30.078 1.00 0.00 C ATOM 762 CE LYS A 48 40.304 35.040 31.369 1.00 0.00 C ATOM 763 NZ LYS A 48 41.018 33.969 32.081 1.00 0.00 N ATOM 0 H LYS A 48 43.415 39.157 32.352 1.00 0.00 H new ATOM 0 HA LYS A 48 44.645 36.559 31.750 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.179 36.810 32.162 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.092 37.926 30.814 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.861 36.164 29.268 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.046 35.044 30.603 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.446 36.269 29.623 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.971 34.615 29.381 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.213 35.908 32.022 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.292 34.707 31.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.484 33.702 32.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.113 33.142 31.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.963 34.305 32.357 1.00 0.00 H new ATOM 777 N GLN A 49 45.669 37.111 29.560 1.00 0.00 N ATOM 778 CA GLN A 49 46.242 37.354 28.251 1.00 0.00 C ATOM 779 C GLN A 49 45.264 36.921 27.157 1.00 0.00 C ATOM 780 O GLN A 49 44.659 35.855 27.243 1.00 0.00 O ATOM 781 CB GLN A 49 47.595 36.659 28.127 1.00 0.00 C ATOM 782 CG GLN A 49 48.409 37.195 26.954 1.00 0.00 C ATOM 783 CD GLN A 49 49.745 36.464 26.809 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.761 36.841 27.389 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.798 35.379 26.041 1.00 0.00 N ATOM 0 H GLN A 49 46.032 36.273 30.014 1.00 0.00 H new ATOM 0 HA GLN A 49 46.417 38.423 28.125 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.158 36.795 29.051 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.442 35.587 28.002 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.834 37.088 26.034 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.591 38.260 27.094 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.961 35.057 25.555 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.675 34.869 25.938 1.00 0.00 H new ATOM 794 N LEU A 50 45.099 37.757 26.136 1.00 0.00 N ATOM 795 CA LEU A 50 44.095 37.614 25.101 1.00 0.00 C ATOM 796 C LEU A 50 44.646 36.927 23.851 1.00 0.00 C ATOM 797 O LEU A 50 45.851 36.932 23.608 1.00 0.00 O ATOM 798 CB LEU A 50 43.479 38.976 24.796 1.00 0.00 C ATOM 799 CG LEU A 50 43.045 39.814 25.996 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.383 41.098 25.507 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.070 39.079 26.911 1.00 0.00 C ATOM 0 H LEU A 50 45.686 38.581 26.007 1.00 0.00 H new ATOM 0 HA LEU A 50 43.307 36.956 25.469 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.200 39.555 24.219 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.610 38.821 24.156 1.00 0.00 H new ATOM 0 HG LEU A 50 43.944 40.029 26.574 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.073 41.697 26.364 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.092 41.666 24.905 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.510 40.850 24.903 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.797 39.725 27.746 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.174 38.814 26.350 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.541 38.173 27.292 1.00 0.00 H new ATOM 813 N GLU A 51 43.765 36.320 23.059 1.00 0.00 N ATOM 814 CA GLU A 51 44.099 35.501 21.912 1.00 0.00 C ATOM 815 C GLU A 51 43.651 36.120 20.586 1.00 0.00 C ATOM 816 O GLU A 51 42.526 36.599 20.458 1.00 0.00 O ATOM 817 CB GLU A 51 43.499 34.108 22.072 1.00 0.00 C ATOM 818 CG GLU A 51 44.223 33.304 23.149 1.00 0.00 C ATOM 819 CD GLU A 51 43.512 32.002 23.517 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.644 31.514 22.761 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.763 31.474 24.623 1.00 0.00 O ATOM 0 H GLU A 51 42.759 36.393 23.211 1.00 0.00 H new ATOM 0 HA GLU A 51 45.186 35.434 21.876 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.443 34.193 22.329 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.554 33.576 21.122 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.231 33.074 22.804 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.325 33.919 24.043 1.00 0.00 H new ATOM 828 N ASP A 52 44.535 36.068 19.595 1.00 0.00 N ATOM 829 CA ASP A 52 44.480 36.825 18.361 1.00 0.00 C ATOM 830 C ASP A 52 43.184 36.654 17.563 1.00 0.00 C ATOM 831 O ASP A 52 42.680 37.632 17.016 1.00 0.00 O ATOM 832 CB ASP A 52 45.692 36.459 17.509 1.00 0.00 C ATOM 833 CG ASP A 52 47.013 36.876 18.158 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.498 36.153 19.055 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.593 37.910 17.761 1.00 0.00 O ATOM 0 H ASP A 52 45.353 35.460 19.639 1.00 0.00 H new ATOM 0 HA ASP A 52 44.497 37.880 18.636 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.699 35.383 17.337 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.604 36.937 16.533 1.00 0.00 H new ATOM 840 N GLY A 53 42.616 35.453 17.520 1.00 0.00 N ATOM 841 CA GLY A 53 41.430 35.140 16.748 1.00 0.00 C ATOM 842 C GLY A 53 40.089 35.338 17.458 1.00 0.00 C ATOM 843 O GLY A 53 39.056 35.220 16.803 1.00 0.00 O ATOM 0 H GLY A 53 42.982 34.653 18.037 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.435 35.755 15.848 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.496 34.101 16.425 1.00 0.00 H new ATOM 847 N ARG A 54 40.066 35.623 18.757 1.00 0.00 N ATOM 848 CA ARG A 54 38.846 35.819 19.513 1.00 0.00 C ATOM 849 C ARG A 54 38.355 37.266 19.427 1.00 0.00 C ATOM 850 O ARG A 54 39.138 38.159 19.109 1.00 0.00 O ATOM 851 CB ARG A 54 39.003 35.377 20.965 1.00 0.00 C ATOM 852 CG ARG A 54 39.459 33.933 21.148 1.00 0.00 C ATOM 853 CD ARG A 54 39.126 33.486 22.568 1.00 0.00 C ATOM 854 NE ARG A 54 39.916 32.337 23.010 1.00 0.00 N ATOM 855 CZ ARG A 54 39.669 31.603 24.104 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.514 31.637 24.784 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.613 30.784 24.586 1.00 0.00 N ATOM 0 H ARG A 54 40.912 35.725 19.318 1.00 0.00 H new ATOM 0 HA ARG A 54 38.085 35.185 19.058 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.721 36.035 21.455 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.049 35.510 21.476 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.964 33.287 20.423 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.531 33.851 20.968 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.292 34.318 23.252 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.067 33.234 22.624 1.00 0.00 H new ATOM 0 HE ARG A 54 40.720 32.073 22.440 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.758 32.248 24.475 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.391 31.052 25.610 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.518 30.720 24.121 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.426 30.225 25.418 1.00 0.00 H new ATOM 871 N THR A 55 37.084 37.508 19.729 1.00 0.00 N ATOM 872 CA THR A 55 36.484 38.827 19.735 1.00 0.00 C ATOM 873 C THR A 55 36.503 39.496 21.111 1.00 0.00 C ATOM 874 O THR A 55 36.583 38.826 22.137 1.00 0.00 O ATOM 875 CB THR A 55 35.068 38.859 19.168 1.00 0.00 C ATOM 876 OG1 THR A 55 34.161 38.122 19.956 1.00 0.00 O ATOM 877 CG2 THR A 55 34.966 38.354 17.732 1.00 0.00 C ATOM 0 H THR A 55 36.429 36.768 19.983 1.00 0.00 H new ATOM 0 HA THR A 55 37.124 39.404 19.067 1.00 0.00 H new ATOM 0 HB THR A 55 34.805 39.917 19.181 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.490 37.205 20.062 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.929 38.408 17.400 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.587 38.972 17.084 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.309 37.320 17.685 1.00 0.00 H new ATOM 885 N LEU A 56 36.366 40.819 21.146 1.00 0.00 N ATOM 886 CA LEU A 56 36.249 41.573 22.378 1.00 0.00 C ATOM 887 C LEU A 56 35.042 41.150 23.217 1.00 0.00 C ATOM 888 O LEU A 56 35.127 41.095 24.442 1.00 0.00 O ATOM 889 CB LEU A 56 36.197 43.061 22.043 1.00 0.00 C ATOM 890 CG LEU A 56 37.471 43.621 21.418 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.206 45.037 20.915 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.633 43.680 22.406 1.00 0.00 C ATOM 0 H LEU A 56 36.333 41.398 20.307 1.00 0.00 H new ATOM 0 HA LEU A 56 37.124 41.363 22.993 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.366 43.236 21.359 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.982 43.617 22.955 1.00 0.00 H new ATOM 0 HG LEU A 56 37.748 42.950 20.605 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.115 45.440 20.468 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.413 45.015 20.168 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.901 45.669 21.750 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.514 44.086 21.908 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.364 44.320 23.246 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.853 42.676 22.770 1.00 0.00 H new ATOM 904 N SER A 57 33.942 40.769 22.575 1.00 0.00 N ATOM 905 CA SER A 57 32.770 40.196 23.205 1.00 0.00 C ATOM 906 C SER A 57 33.042 38.863 23.904 1.00 0.00 C ATOM 907 O SER A 57 32.489 38.613 24.971 1.00 0.00 O ATOM 908 CB SER A 57 31.677 40.012 22.155 1.00 0.00 C ATOM 909 OG SER A 57 30.449 39.678 22.763 1.00 0.00 O ATOM 0 H SER A 57 33.845 40.857 21.563 1.00 0.00 H new ATOM 0 HA SER A 57 32.454 40.892 23.982 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.564 40.929 21.577 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.967 39.228 21.456 1.00 0.00 H new ATOM 0 HG SER A 57 29.762 39.566 22.073 1.00 0.00 H new ATOM 915 N ASP A 58 33.948 38.037 23.385 1.00 0.00 N ATOM 916 CA ASP A 58 34.338 36.787 24.005 1.00 0.00 C ATOM 917 C ASP A 58 35.083 36.984 25.327 1.00 0.00 C ATOM 918 O ASP A 58 35.200 36.038 26.104 1.00 0.00 O ATOM 919 CB ASP A 58 35.171 35.932 23.055 1.00 0.00 C ATOM 920 CG ASP A 58 34.481 35.584 21.734 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.299 35.178 21.736 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.133 35.660 20.670 1.00 0.00 O ATOM 0 H ASP A 58 34.435 38.226 22.509 1.00 0.00 H new ATOM 0 HA ASP A 58 33.410 36.263 24.232 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.101 36.457 22.836 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.440 35.006 23.563 1.00 0.00 H new ATOM 927 N TYR A 59 35.548 38.195 25.619 1.00 0.00 N ATOM 928 CA TYR A 59 36.150 38.597 26.874 1.00 0.00 C ATOM 929 C TYR A 59 35.317 39.610 27.663 1.00 0.00 C ATOM 930 O TYR A 59 35.786 40.149 28.664 1.00 0.00 O ATOM 931 CB TYR A 59 37.560 39.110 26.602 1.00 0.00 C ATOM 932 CG TYR A 59 38.507 38.095 26.005 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.996 37.049 26.797 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.934 38.225 24.678 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.925 36.141 26.277 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.882 37.338 24.154 1.00 0.00 C ATOM 937 CZ TYR A 59 40.385 36.292 24.954 1.00 0.00 C ATOM 938 OH TYR A 59 41.320 35.438 24.448 1.00 0.00 O ATOM 0 H TYR A 59 35.510 38.960 24.945 1.00 0.00 H new ATOM 0 HA TYR A 59 36.193 37.719 27.518 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.495 39.964 25.928 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.984 39.474 27.538 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.654 36.942 27.816 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.531 39.011 24.057 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.288 35.327 26.888 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.228 37.455 23.138 1.00 0.00 H new ATOM 0 HH TYR A 59 41.044 34.513 24.617 1.00 0.00 H new ATOM 948 N ASN A 60 34.080 39.888 27.260 1.00 0.00 N ATOM 949 CA ASN A 60 33.203 40.838 27.913 1.00 0.00 C ATOM 950 C ASN A 60 33.800 42.236 28.078 1.00 0.00 C ATOM 951 O ASN A 60 33.552 42.912 29.075 1.00 0.00 O ATOM 952 CB ASN A 60 32.646 40.222 29.193 1.00 0.00 C ATOM 953 CG ASN A 60 31.546 39.195 28.911 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.422 39.558 28.573 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.837 37.904 29.040 1.00 0.00 N ATOM 0 H ASN A 60 33.654 39.443 26.447 1.00 0.00 H new ATOM 0 HA ASN A 60 32.360 41.032 27.250 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.455 39.743 29.745 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.248 41.012 29.831 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.122 37.199 28.858 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.775 37.618 29.321 1.00 0.00 H new ATOM 962 N ILE A 61 34.597 42.700 27.119 1.00 0.00 N ATOM 963 CA ILE A 61 35.219 44.009 27.150 1.00 0.00 C ATOM 964 C ILE A 61 34.200 45.068 26.723 1.00 0.00 C ATOM 965 O ILE A 61 33.702 45.018 25.601 1.00 0.00 O ATOM 966 CB ILE A 61 36.482 44.024 26.293 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.553 43.106 26.872 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.048 45.436 26.160 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.615 42.672 25.865 1.00 0.00 C ATOM 0 H ILE A 61 34.829 42.161 26.285 1.00 0.00 H new ATOM 0 HA ILE A 61 35.534 44.246 28.166 1.00 0.00 H new ATOM 0 HB ILE A 61 36.198 43.662 25.305 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.042 43.615 27.702 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.072 42.218 27.282 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.947 45.411 25.544 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.306 46.083 25.693 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.296 45.823 27.148 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.338 42.022 26.357 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.140 42.133 25.045 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.126 43.552 25.473 1.00 0.00 H new ATOM 981 N GLN A 62 33.901 46.021 27.602 1.00 0.00 N ATOM 982 CA GLN A 62 33.046 47.164 27.356 1.00 0.00 C ATOM 983 C GLN A 62 33.805 48.494 27.332 1.00 0.00 C ATOM 984 O GLN A 62 34.988 48.553 27.656 1.00 0.00 O ATOM 985 CB GLN A 62 31.906 47.188 28.371 1.00 0.00 C ATOM 986 CG GLN A 62 30.795 46.214 27.992 1.00 0.00 C ATOM 987 CD GLN A 62 29.478 46.451 28.737 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.202 47.520 29.275 1.00 0.00 O ATOM 989 NE2 GLN A 62 28.578 45.472 28.728 1.00 0.00 N ATOM 0 H GLN A 62 34.271 46.010 28.552 1.00 0.00 H new ATOM 0 HA GLN A 62 32.631 47.048 26.355 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.292 46.934 29.358 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.499 48.197 28.438 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.612 46.287 26.920 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.134 45.197 28.189 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.798 44.581 28.284 1.00 0.00 H new ATOM 0 HE22 GLN A 62 27.667 45.612 29.166 1.00 0.00 H new ATOM 998 N LYS A 63 33.117 49.573 26.972 1.00 0.00 N ATOM 999 CA LYS A 63 33.604 50.937 26.911 1.00 0.00 C ATOM 1000 C LYS A 63 34.440 51.399 28.106 1.00 0.00 C ATOM 1001 O LYS A 63 34.202 51.000 29.243 1.00 0.00 O ATOM 1002 CB LYS A 63 32.424 51.879 26.696 1.00 0.00 C ATOM 1003 CG LYS A 63 31.444 51.931 27.865 1.00 0.00 C ATOM 1004 CD LYS A 63 30.230 52.811 27.579 1.00 0.00 C ATOM 1005 CE LYS A 63 30.612 54.287 27.498 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.417 55.133 27.357 1.00 0.00 N ATOM 0 H LYS A 63 32.137 49.507 26.697 1.00 0.00 H new ATOM 0 HA LYS A 63 34.298 50.963 26.071 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.804 52.883 26.510 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.886 51.571 25.799 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.108 50.920 28.097 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.959 52.307 28.749 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.769 52.502 26.641 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.485 52.670 28.362 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.162 54.574 28.395 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.278 54.448 26.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.703 56.132 27.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.908 54.872 26.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.795 54.994 28.179 1.00 0.00 H new ATOM 1020 N GLU A 64 35.402 52.278 27.839 1.00 0.00 N ATOM 1021 CA GLU A 64 36.269 52.939 28.794 1.00 0.00 C ATOM 1022 C GLU A 64 37.134 52.007 29.645 1.00 0.00 C ATOM 1023 O GLU A 64 37.800 52.447 30.579 1.00 0.00 O ATOM 1024 CB GLU A 64 35.490 53.945 29.638 1.00 0.00 C ATOM 1025 CG GLU A 64 34.589 54.929 28.897 1.00 0.00 C ATOM 1026 CD GLU A 64 35.319 56.101 28.239 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.730 57.040 28.954 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.382 56.162 26.993 1.00 0.00 O ATOM 0 H GLU A 64 35.606 52.563 26.881 1.00 0.00 H new ATOM 0 HA GLU A 64 36.996 53.483 28.191 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.873 53.388 30.343 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.206 54.520 30.225 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.037 54.387 28.129 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.854 55.325 29.598 1.00 0.00 H new ATOM 1035 N SER A 65 37.155 50.717 29.323 1.00 0.00 N ATOM 1036 CA SER A 65 38.095 49.737 29.831 1.00 0.00 C ATOM 1037 C SER A 65 39.509 50.002 29.308 1.00 0.00 C ATOM 1038 O SER A 65 39.679 50.616 28.256 1.00 0.00 O ATOM 1039 CB SER A 65 37.689 48.324 29.424 1.00 0.00 C ATOM 1040 OG SER A 65 36.369 48.022 29.819 1.00 0.00 O ATOM 0 H SER A 65 36.484 50.313 28.670 1.00 0.00 H new ATOM 0 HA SER A 65 38.085 49.824 30.917 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.778 48.218 28.343 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.375 47.606 29.872 1.00 0.00 H new ATOM 0 HG SER A 65 35.740 48.379 29.158 1.00 0.00 H new ATOM 1046 N THR A 66 40.521 49.493 30.004 1.00 0.00 N ATOM 1047 CA THR A 66 41.918 49.635 29.648 1.00 0.00 C ATOM 1048 C THR A 66 42.572 48.266 29.443 1.00 0.00 C ATOM 1049 O THR A 66 42.604 47.429 30.342 1.00 0.00 O ATOM 1050 CB THR A 66 42.669 50.442 30.702 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.040 51.688 30.898 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.116 50.743 30.319 1.00 0.00 C ATOM 0 H THR A 66 40.380 48.954 30.858 1.00 0.00 H new ATOM 0 HA THR A 66 41.971 50.179 28.705 1.00 0.00 H new ATOM 0 HB THR A 66 42.659 49.824 31.600 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.529 52.198 31.577 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.590 51.319 31.113 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.657 49.807 30.177 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.135 51.317 29.393 1.00 0.00 H new ATOM 1060 N LEU A 67 43.114 48.067 28.245 1.00 0.00 N ATOM 1061 CA LEU A 67 43.988 46.962 27.906 1.00 0.00 C ATOM 1062 C LEU A 67 45.420 47.285 28.335 1.00 0.00 C ATOM 1063 O LEU A 67 45.854 48.433 28.259 1.00 0.00 O ATOM 1064 CB LEU A 67 43.928 46.677 26.409 1.00 0.00 C ATOM 1065 CG LEU A 67 42.549 46.384 25.822 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.683 46.058 24.338 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.868 45.197 26.497 1.00 0.00 C ATOM 0 H LEU A 67 42.947 48.696 27.460 1.00 0.00 H new ATOM 0 HA LEU A 67 43.655 46.070 28.436 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.347 47.534 25.882 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.575 45.826 26.198 1.00 0.00 H new ATOM 0 HG LEU A 67 41.942 47.275 25.985 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.698 45.849 23.921 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.125 46.908 23.817 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.322 45.184 24.214 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.891 45.031 26.043 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.483 44.305 26.372 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.743 45.405 27.560 1.00 0.00 H new ATOM 1079 N HIS A 68 46.180 46.270 28.736 1.00 0.00 N ATOM 1080 CA HIS A 68 47.577 46.401 29.099 1.00 0.00 C ATOM 1081 C HIS A 68 48.443 45.677 28.067 1.00 0.00 C ATOM 1082 O HIS A 68 48.132 44.557 27.667 1.00 0.00 O ATOM 1083 CB HIS A 68 47.792 45.909 30.527 1.00 0.00 C ATOM 1084 CG HIS A 68 47.079 46.781 31.524 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.649 47.850 32.212 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.739 46.729 31.812 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.653 48.417 32.899 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.493 47.779 32.675 1.00 0.00 N ATOM 0 H HIS A 68 45.829 45.316 28.817 1.00 0.00 H new ATOM 0 HA HIS A 68 47.880 47.448 29.086 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.434 44.883 30.617 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.859 45.895 30.751 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.022 46.013 31.440 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.766 49.273 33.547 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.587 48.027 33.073 1.00 0.00 H new ATOM 1096 N LEU A 69 49.500 46.341 27.608 1.00 0.00 N ATOM 1097 CA LEU A 69 50.370 45.875 26.548 1.00 0.00 C ATOM 1098 C LEU A 69 51.783 45.677 27.100 1.00 0.00 C ATOM 1099 O LEU A 69 52.355 46.578 27.711 1.00 0.00 O ATOM 1100 CB LEU A 69 50.264 46.866 25.392 1.00 0.00 C ATOM 1101 CG LEU A 69 51.238 46.680 24.233 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.081 45.341 23.518 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.006 47.778 23.200 1.00 0.00 C ATOM 0 H LEU A 69 49.779 47.249 27.981 1.00 0.00 H new ATOM 0 HA LEU A 69 50.076 44.900 26.159 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.250 46.817 24.995 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.401 47.870 25.792 1.00 0.00 H new ATOM 0 HG LEU A 69 52.238 46.720 24.665 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.804 45.276 22.705 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.254 44.529 24.224 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.072 45.261 23.113 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.700 47.649 22.370 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.982 47.719 22.830 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.169 48.752 23.661 1.00 0.00 H new ATOM 1115 N VAL A 70 52.342 44.494 26.864 1.00 0.00 N ATOM 1116 CA VAL A 70 53.724 44.148 27.127 1.00 0.00 C ATOM 1117 C VAL A 70 54.334 43.513 25.875 1.00 0.00 C ATOM 1118 O VAL A 70 53.619 42.962 25.040 1.00 0.00 O ATOM 1119 CB VAL A 70 53.896 43.290 28.377 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.478 44.052 29.632 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.147 41.963 28.339 1.00 0.00 C ATOM 0 H VAL A 70 51.814 43.718 26.465 1.00 0.00 H new ATOM 0 HA VAL A 70 54.273 45.063 27.350 1.00 0.00 H new ATOM 0 HB VAL A 70 54.961 43.058 28.404 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.612 43.415 30.506 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.093 44.946 29.737 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.430 44.340 29.550 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.325 41.418 29.266 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.079 42.151 28.228 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.501 41.370 27.496 1.00 0.00 H new ATOM 1131 N LEU A 71 55.643 43.658 25.694 1.00 0.00 N ATOM 1132 CA LEU A 71 56.309 43.486 24.419 1.00 0.00 C ATOM 1133 C LEU A 71 57.390 42.403 24.436 1.00 0.00 C ATOM 1134 O LEU A 71 58.058 42.178 25.442 1.00 0.00 O ATOM 1135 CB LEU A 71 56.875 44.821 23.941 1.00 0.00 C ATOM 1136 CG LEU A 71 55.862 45.952 23.791 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.548 47.194 23.231 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.719 45.574 22.853 1.00 0.00 C ATOM 0 H LEU A 71 56.280 43.904 26.451 1.00 0.00 H new ATOM 0 HA LEU A 71 55.555 43.138 23.713 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.647 45.139 24.642 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.363 44.665 22.979 1.00 0.00 H new ATOM 0 HG LEU A 71 55.453 46.148 24.782 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.818 47.997 23.127 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.340 47.509 23.910 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.976 46.964 22.255 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.021 46.408 22.775 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.120 45.343 21.866 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.199 44.701 23.247 1.00 0.00 H new ATOM 1150 N ARG A 72 57.572 41.768 23.281 1.00 0.00 N ATOM 1151 CA ARG A 72 58.603 40.797 22.976 1.00 0.00 C ATOM 1152 C ARG A 72 59.679 41.455 22.110 1.00 0.00 C ATOM 1153 O ARG A 72 59.375 42.383 21.362 1.00 0.00 O ATOM 1154 CB ARG A 72 57.978 39.586 22.287 1.00 0.00 C ATOM 1155 CG ARG A 72 56.831 38.933 23.051 1.00 0.00 C ATOM 1156 CD ARG A 72 55.907 38.115 22.151 1.00 0.00 C ATOM 1157 NE ARG A 72 56.409 36.773 21.857 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.935 35.958 20.905 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.071 36.346 19.957 1.00 0.00 N ATOM 1160 NH2 ARG A 72 56.308 34.672 20.886 1.00 0.00 N ATOM 0 H ARG A 72 56.958 41.934 22.484 1.00 0.00 H new ATOM 0 HA ARG A 72 59.078 40.448 23.893 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.614 39.892 21.306 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.755 38.840 22.120 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.240 38.286 23.827 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.249 39.706 23.554 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.930 38.032 22.628 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.759 38.651 21.214 1.00 0.00 H new ATOM 0 HE ARG A 72 57.184 36.429 22.424 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.738 37.310 19.934 1.00 0.00 H new ATOM 0 HH12 ARG A 72 54.746 35.677 19.258 1.00 0.00 H new ATOM 0 HH21 ARG A 72 56.950 34.317 21.594 1.00 0.00 H new ATOM 0 HH22 ARG A 72 55.950 34.048 20.163 1.00 0.00 H new ATOM 1174 N LEU A 73 60.921 40.985 22.186 1.00 0.00 N ATOM 1175 CA LEU A 73 62.068 41.484 21.455 1.00 0.00 C ATOM 1176 C LEU A 73 62.338 42.974 21.667 1.00 0.00 C ATOM 1177 O LEU A 73 62.601 43.724 20.730 1.00 0.00 O ATOM 1178 CB LEU A 73 62.002 41.009 20.006 1.00 0.00 C ATOM 1179 CG LEU A 73 63.323 40.525 19.412 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.075 39.996 18.002 1.00 0.00 C ATOM 1181 CD2 LEU A 73 64.404 41.598 19.333 1.00 0.00 C ATOM 0 H LEU A 73 61.161 40.202 22.795 1.00 0.00 H new ATOM 0 HA LEU A 73 62.973 41.046 21.876 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.276 40.199 19.940 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.625 41.826 19.391 1.00 0.00 H new ATOM 0 HG LEU A 73 63.689 39.751 20.086 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.015 39.649 17.573 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.367 39.168 18.043 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.665 40.793 17.381 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.309 41.172 18.900 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.055 42.420 18.708 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.621 41.970 20.334 1.00 0.00 H new ATOM 1193 N ARG A 74 62.263 43.427 22.916 1.00 0.00 N ATOM 1194 CA ARG A 74 62.455 44.797 23.344 1.00 0.00 C ATOM 1195 C ARG A 74 63.342 44.966 24.579 1.00 0.00 C ATOM 1196 O ARG A 74 63.863 46.061 24.782 1.00 0.00 O ATOM 1197 CB ARG A 74 61.092 45.445 23.570 1.00 0.00 C ATOM 1198 CG ARG A 74 60.301 45.783 22.310 1.00 0.00 C ATOM 1199 CD ARG A 74 60.946 46.873 21.457 1.00 0.00 C ATOM 1200 NE ARG A 74 60.116 47.215 20.302 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.232 48.217 20.206 1.00 0.00 C ATOM 1202 NH1 ARG A 74 58.921 49.017 21.235 1.00 0.00 N ATOM 1203 NH2 ARG A 74 58.617 48.448 19.038 1.00 0.00 N ATOM 0 H ARG A 74 62.054 42.805 23.697 1.00 0.00 H new ATOM 0 HA ARG A 74 62.997 45.297 22.542 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.490 44.776 24.186 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.237 46.361 24.142 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.189 44.881 21.708 1.00 0.00 H new ATOM 0 HG3 ARG A 74 59.299 46.102 22.595 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.109 47.763 22.065 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.925 46.537 21.115 1.00 0.00 H new ATOM 0 HE ARG A 74 60.222 46.624 19.477 1.00 0.00 H new ATOM 0 HH11 ARG A 74 59.365 48.876 22.143 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.241 49.767 21.111 1.00 0.00 H new ATOM 0 HH21 ARG A 74 58.823 47.862 18.229 1.00 0.00 H new ATOM 0 HH22 ARG A 74 57.943 49.209 18.958 1.00 0.00 H new ATOM 1217 N GLY A 75 63.517 43.944 25.413 1.00 0.00 N ATOM 1218 CA GLY A 75 64.113 44.046 26.730 1.00 0.00 C ATOM 1219 C GLY A 75 65.628 43.870 26.846 1.00 0.00 C ATOM 1220 O GLY A 75 66.165 44.109 27.926 1.00 0.00 O ATOM 0 H GLY A 75 63.236 42.992 25.177 1.00 0.00 H new ATOM 0 HA2 GLY A 75 63.858 45.024 27.138 1.00 0.00 H new ATOM 0 HA3 GLY A 75 63.640 43.301 27.370 1.00 0.00 H new ATOM 1224 N GLY A 76 66.326 43.464 25.789 1.00 0.00 N ATOM 1225 CA GLY A 76 67.761 43.260 25.814 1.00 0.00 C ATOM 1226 C GLY A 76 68.391 42.738 24.521 1.00 0.00 C ATOM 1227 O GLY A 76 67.712 42.000 23.776 1.00 0.00 O ATOM 1228 OXT GLY A 76 69.590 43.013 24.300 1.00 0.00 O ATOM 0 H GLY A 76 65.901 43.267 24.883 1.00 0.00 H new ATOM 0 HA2 GLY A 76 68.237 44.207 26.070 1.00 0.00 H new ATOM 0 HA3 GLY A 76 67.994 42.559 26.616 1.00 0.00 H new TER 1232 GLY A 76