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 55 THR OG1 : rot -36:sc= 1.17 USER MOD Set 1.2: A 57 SER OG : rot -85:sc= 0.836 USER MOD Set 2.1: A 22 THR OG1 : rot -51:sc= 1.27 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.67 K(o=2.9,f=-8.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.29 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.17) USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= 1.24 (180deg=0.72) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0222 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 -57:sc= 0.169 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 1.17 (180deg=0.0845) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 1.26 (180deg=0.931) USER MOD Single : A 31 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.45) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 1.23 (180deg=1.14) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 41 GLN : amide:sc= 0.866 K(o=0.87,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 59 TYR OH : rot 22:sc= 1.93 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0488) USER MOD Single : A 65 SER OG : rot -86:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.227 51.574 19.302 1.00 0.00 N ATOM 2 CA MET A 1 33.379 51.900 20.728 1.00 0.00 C ATOM 3 C MET A 1 34.813 52.348 21.019 1.00 0.00 C ATOM 4 O MET A 1 35.729 51.949 20.304 1.00 0.00 O ATOM 5 CB MET A 1 32.944 50.760 21.646 1.00 0.00 C ATOM 6 CG MET A 1 33.793 49.495 21.550 1.00 0.00 C ATOM 7 SD MET A 1 33.289 48.210 22.720 1.00 0.00 S ATOM 8 CE MET A 1 34.560 46.960 22.405 1.00 0.00 C ATOM 0 H1 MET A 1 32.287 51.160 19.139 1.00 0.00 H new ATOM 0 H2 MET A 1 33.327 52.440 18.735 1.00 0.00 H new ATOM 0 H3 MET A 1 33.960 50.891 19.022 1.00 0.00 H new ATOM 0 HA MET A 1 32.706 52.729 20.947 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.964 51.115 22.676 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.910 50.504 21.417 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.731 49.099 20.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.837 49.751 21.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.391 46.098 23.051 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.512 46.647 21.362 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.544 47.381 22.613 1.00 0.00 H new ATOM 20 N GLN A 2 35.026 53.152 22.057 1.00 0.00 N ATOM 21 CA GLN A 2 36.337 53.639 22.434 1.00 0.00 C ATOM 22 C GLN A 2 36.914 52.863 23.619 1.00 0.00 C ATOM 23 O GLN A 2 36.172 52.469 24.515 1.00 0.00 O ATOM 24 CB GLN A 2 36.266 55.140 22.703 1.00 0.00 C ATOM 25 CG GLN A 2 37.634 55.810 22.602 1.00 0.00 C ATOM 26 CD GLN A 2 37.552 57.312 22.879 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.452 58.139 21.975 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.589 57.721 24.144 1.00 0.00 N ATOM 0 H GLN A 2 34.278 53.485 22.665 1.00 0.00 H new ATOM 0 HA GLN A 2 37.026 53.472 21.606 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.583 55.603 21.991 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.853 55.310 23.697 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.319 55.346 23.312 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.047 55.646 21.607 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.672 57.039 24.898 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.534 58.716 24.360 1.00 0.00 H new ATOM 37 N ILE A 3 38.232 52.678 23.648 1.00 0.00 N ATOM 38 CA ILE A 3 38.990 52.132 24.754 1.00 0.00 C ATOM 39 C ILE A 3 40.278 52.933 24.959 1.00 0.00 C ATOM 40 O ILE A 3 40.689 53.699 24.090 1.00 0.00 O ATOM 41 CB ILE A 3 39.302 50.652 24.550 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.109 50.384 23.284 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.030 49.811 24.596 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.735 48.993 23.212 1.00 0.00 C ATOM 0 H ILE A 3 38.825 52.920 22.854 1.00 0.00 H new ATOM 0 HA ILE A 3 38.376 52.213 25.651 1.00 0.00 H new ATOM 0 HB ILE A 3 39.938 50.349 25.382 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.460 50.521 22.419 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.901 51.129 23.209 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.282 48.761 24.448 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.547 49.935 25.565 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.351 50.136 23.808 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.289 48.891 22.279 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.413 48.855 24.054 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.950 48.238 23.252 1.00 0.00 H new ATOM 56 N PHE A 4 40.971 52.694 26.068 1.00 0.00 N ATOM 57 CA PHE A 4 42.364 53.057 26.235 1.00 0.00 C ATOM 58 C PHE A 4 43.269 51.826 26.149 1.00 0.00 C ATOM 59 O PHE A 4 42.871 50.725 26.523 1.00 0.00 O ATOM 60 CB PHE A 4 42.573 53.798 27.552 1.00 0.00 C ATOM 61 CG PHE A 4 41.772 55.067 27.718 1.00 0.00 C ATOM 62 CD1 PHE A 4 42.120 56.215 26.996 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.699 55.112 28.617 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.406 57.405 27.178 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.995 56.306 28.811 1.00 0.00 C ATOM 66 CZ PHE A 4 40.348 57.455 28.093 1.00 0.00 C ATOM 0 H PHE A 4 40.569 52.235 26.886 1.00 0.00 H new ATOM 0 HA PHE A 4 42.638 53.727 25.420 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.326 53.123 28.372 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.631 54.042 27.648 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.942 56.182 26.296 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.414 54.224 29.161 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.672 58.286 26.612 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.178 56.341 29.516 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.806 58.377 28.245 1.00 0.00 H new ATOM 76 N VAL A 5 44.503 52.010 25.687 1.00 0.00 N ATOM 77 CA VAL A 5 45.535 50.993 25.690 1.00 0.00 C ATOM 78 C VAL A 5 46.780 51.530 26.396 1.00 0.00 C ATOM 79 O VAL A 5 47.495 52.375 25.862 1.00 0.00 O ATOM 80 CB VAL A 5 45.843 50.470 24.289 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.857 49.331 24.352 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.602 49.943 23.575 1.00 0.00 C ATOM 0 H VAL A 5 44.815 52.897 25.291 1.00 0.00 H new ATOM 0 HA VAL A 5 45.166 50.131 26.246 1.00 0.00 H new ATOM 0 HB VAL A 5 46.241 51.319 23.733 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.064 48.972 23.344 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.781 49.691 24.805 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.452 48.516 24.952 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.878 49.584 22.584 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.171 49.124 24.151 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.869 50.744 23.480 1.00 0.00 H new ATOM 92 N LYS A 6 47.052 51.009 27.590 1.00 0.00 N ATOM 93 CA LYS A 6 48.199 51.324 28.417 1.00 0.00 C ATOM 94 C LYS A 6 49.369 50.417 28.027 1.00 0.00 C ATOM 95 O LYS A 6 49.296 49.205 28.207 1.00 0.00 O ATOM 96 CB LYS A 6 47.792 51.158 29.879 1.00 0.00 C ATOM 97 CG LYS A 6 48.924 51.215 30.901 1.00 0.00 C ATOM 98 CD LYS A 6 49.616 52.562 31.087 1.00 0.00 C ATOM 99 CE LYS A 6 48.656 53.609 31.643 1.00 0.00 C ATOM 100 NZ LYS A 6 49.377 54.755 32.218 1.00 0.00 N ATOM 0 H LYS A 6 46.440 50.318 28.024 1.00 0.00 H new ATOM 0 HA LYS A 6 48.528 52.353 28.269 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.069 51.936 30.124 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.280 50.201 29.986 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.526 50.901 31.866 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.678 50.482 30.614 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.463 52.447 31.763 1.00 0.00 H new ATOM 0 HD3 LYS A 6 50.015 52.903 30.132 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.995 53.956 30.848 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.025 53.155 32.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.754 55.588 32.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.668 54.530 33.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.220 54.959 31.643 1.00 0.00 H new ATOM 114 N THR A 7 50.463 50.995 27.540 1.00 0.00 N ATOM 115 CA THR A 7 51.716 50.281 27.406 1.00 0.00 C ATOM 116 C THR A 7 52.383 50.189 28.781 1.00 0.00 C ATOM 117 O THR A 7 52.430 51.179 29.510 1.00 0.00 O ATOM 118 CB THR A 7 52.653 50.953 26.407 1.00 0.00 C ATOM 119 OG1 THR A 7 52.011 51.180 25.173 1.00 0.00 O ATOM 120 CG2 THR A 7 53.873 50.087 26.103 1.00 0.00 C ATOM 0 H THR A 7 50.500 51.966 27.230 1.00 0.00 H new ATOM 0 HA THR A 7 51.505 49.283 27.022 1.00 0.00 H new ATOM 0 HB THR A 7 52.953 51.892 26.873 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.635 51.613 24.554 1.00 0.00 H new ATOM 0 HG21 THR A 7 54.515 50.601 25.388 1.00 0.00 H new ATOM 0 HG22 THR A 7 54.428 49.905 27.023 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.548 49.136 25.681 1.00 0.00 H new ATOM 128 N LEU A 8 52.957 49.043 29.132 1.00 0.00 N ATOM 129 CA LEU A 8 53.618 48.852 30.408 1.00 0.00 C ATOM 130 C LEU A 8 54.948 49.590 30.569 1.00 0.00 C ATOM 131 O LEU A 8 55.682 49.358 31.527 1.00 0.00 O ATOM 132 CB LEU A 8 53.701 47.370 30.758 1.00 0.00 C ATOM 133 CG LEU A 8 52.364 46.648 30.896 1.00 0.00 C ATOM 134 CD1 LEU A 8 52.601 45.244 31.445 1.00 0.00 C ATOM 135 CD2 LEU A 8 51.395 47.335 31.855 1.00 0.00 C ATOM 0 H LEU A 8 52.974 48.218 28.532 1.00 0.00 H new ATOM 0 HA LEU A 8 52.982 49.337 31.149 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.288 46.866 29.990 1.00 0.00 H new ATOM 0 HB3 LEU A 8 54.247 47.267 31.695 1.00 0.00 H new ATOM 0 HG LEU A 8 51.923 46.644 29.899 1.00 0.00 H new ATOM 0 HD11 LEU A 8 51.647 44.726 31.544 1.00 0.00 H new ATOM 0 HD12 LEU A 8 53.245 44.690 30.762 1.00 0.00 H new ATOM 0 HD13 LEU A 8 53.081 45.311 32.421 1.00 0.00 H new ATOM 0 HD21 LEU A 8 50.466 46.766 31.903 1.00 0.00 H new ATOM 0 HD22 LEU A 8 51.841 47.386 32.848 1.00 0.00 H new ATOM 0 HD23 LEU A 8 51.185 48.344 31.499 1.00 0.00 H new ATOM 147 N THR A 9 55.269 50.529 29.682 1.00 0.00 N ATOM 148 CA THR A 9 56.247 51.581 29.874 1.00 0.00 C ATOM 149 C THR A 9 55.701 52.762 30.679 1.00 0.00 C ATOM 150 O THR A 9 56.473 53.616 31.110 1.00 0.00 O ATOM 151 CB THR A 9 56.722 52.107 28.523 1.00 0.00 C ATOM 152 OG1 THR A 9 55.600 52.461 27.745 1.00 0.00 O ATOM 153 CG2 THR A 9 57.536 51.067 27.758 1.00 0.00 C ATOM 0 H THR A 9 54.827 50.573 28.764 1.00 0.00 H new ATOM 0 HA THR A 9 57.069 51.135 30.435 1.00 0.00 H new ATOM 0 HB THR A 9 57.361 52.970 28.709 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.899 52.801 26.876 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.853 51.484 26.802 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.413 50.790 28.342 1.00 0.00 H new ATOM 0 HG23 THR A 9 56.923 50.183 27.582 1.00 0.00 H new ATOM 161 N GLY A 10 54.387 52.820 30.873 1.00 0.00 N ATOM 162 CA GLY A 10 53.634 53.855 31.553 1.00 0.00 C ATOM 163 C GLY A 10 52.817 54.751 30.619 1.00 0.00 C ATOM 164 O GLY A 10 51.838 55.343 31.068 1.00 0.00 O ATOM 0 H GLY A 10 53.776 52.080 30.528 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.960 53.387 32.271 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.325 54.477 32.123 1.00 0.00 H new ATOM 168 N LYS A 11 53.158 54.821 29.336 1.00 0.00 N ATOM 169 CA LYS A 11 52.454 55.622 28.355 1.00 0.00 C ATOM 170 C LYS A 11 51.110 55.008 27.955 1.00 0.00 C ATOM 171 O LYS A 11 50.970 53.787 27.975 1.00 0.00 O ATOM 172 CB LYS A 11 53.315 55.864 27.119 1.00 0.00 C ATOM 173 CG LYS A 11 54.638 56.560 27.423 1.00 0.00 C ATOM 174 CD LYS A 11 55.290 57.155 26.179 1.00 0.00 C ATOM 175 CE LYS A 11 55.565 56.123 25.090 1.00 0.00 C ATOM 176 NZ LYS A 11 56.142 56.759 23.895 1.00 0.00 N ATOM 0 H LYS A 11 53.950 54.309 28.946 1.00 0.00 H new ATOM 0 HA LYS A 11 52.246 56.581 28.830 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.519 54.908 26.636 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.752 56.467 26.407 1.00 0.00 H new ATOM 0 HG2 LYS A 11 54.468 57.352 28.153 1.00 0.00 H new ATOM 0 HG3 LYS A 11 55.323 55.846 27.881 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.644 57.935 25.776 1.00 0.00 H new ATOM 0 HD3 LYS A 11 56.228 57.633 26.462 1.00 0.00 H new ATOM 0 HE2 LYS A 11 56.249 55.363 25.468 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.639 55.614 24.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.320 56.036 23.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.477 57.467 23.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 57.037 57.224 24.147 1.00 0.00 H new ATOM 190 N THR A 12 50.130 55.826 27.584 1.00 0.00 N ATOM 191 CA THR A 12 48.814 55.373 27.181 1.00 0.00 C ATOM 192 C THR A 12 48.321 56.035 25.892 1.00 0.00 C ATOM 193 O THR A 12 48.731 57.145 25.559 1.00 0.00 O ATOM 194 CB THR A 12 47.829 55.499 28.339 1.00 0.00 C ATOM 195 OG1 THR A 12 46.807 54.535 28.219 1.00 0.00 O ATOM 196 CG2 THR A 12 47.155 56.864 28.462 1.00 0.00 C ATOM 0 H THR A 12 50.236 56.840 27.556 1.00 0.00 H new ATOM 0 HA THR A 12 48.890 54.315 26.932 1.00 0.00 H new ATOM 0 HB THR A 12 48.437 55.350 29.231 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.182 54.625 28.969 1.00 0.00 H new ATOM 0 HG21 THR A 12 46.473 56.858 29.312 1.00 0.00 H new ATOM 0 HG22 THR A 12 47.914 57.632 28.611 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.596 57.077 27.551 1.00 0.00 H new ATOM 204 N ILE A 13 47.423 55.355 25.186 1.00 0.00 N ATOM 205 CA ILE A 13 46.768 55.829 23.984 1.00 0.00 C ATOM 206 C ILE A 13 45.252 55.639 24.067 1.00 0.00 C ATOM 207 O ILE A 13 44.767 54.745 24.756 1.00 0.00 O ATOM 208 CB ILE A 13 47.318 55.188 22.714 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.101 53.679 22.634 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.782 55.572 22.520 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.390 53.070 21.265 1.00 0.00 C ATOM 0 H ILE A 13 47.123 54.417 25.453 1.00 0.00 H new ATOM 0 HA ILE A 13 46.986 56.895 23.921 1.00 0.00 H new ATOM 0 HB ILE A 13 46.738 55.590 21.884 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.736 53.194 23.375 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.069 53.458 22.905 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.162 55.108 21.610 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.866 56.656 22.437 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.365 55.227 23.374 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.210 51.996 21.299 1.00 0.00 H new ATOM 0 HD12 ILE A 13 46.737 53.524 20.520 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.430 53.255 20.997 1.00 0.00 H new ATOM 223 N THR A 14 44.504 56.432 23.303 1.00 0.00 N ATOM 224 CA THR A 14 43.095 56.223 23.037 1.00 0.00 C ATOM 225 C THR A 14 42.938 55.460 21.721 1.00 0.00 C ATOM 226 O THR A 14 43.616 55.793 20.751 1.00 0.00 O ATOM 227 CB THR A 14 42.345 57.549 22.960 1.00 0.00 C ATOM 228 OG1 THR A 14 42.634 58.363 24.075 1.00 0.00 O ATOM 229 CG2 THR A 14 40.833 57.347 22.940 1.00 0.00 C ATOM 0 H THR A 14 44.879 57.261 22.841 1.00 0.00 H new ATOM 0 HA THR A 14 42.669 55.643 23.856 1.00 0.00 H new ATOM 0 HB THR A 14 42.674 58.023 22.035 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.407 57.882 24.898 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.337 58.316 22.885 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.557 56.748 22.072 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.523 56.832 23.849 1.00 0.00 H new ATOM 237 N LEU A 15 42.062 54.462 21.652 1.00 0.00 N ATOM 238 CA LEU A 15 41.812 53.685 20.455 1.00 0.00 C ATOM 239 C LEU A 15 40.318 53.468 20.207 1.00 0.00 C ATOM 240 O LEU A 15 39.541 53.355 21.153 1.00 0.00 O ATOM 241 CB LEU A 15 42.581 52.372 20.578 1.00 0.00 C ATOM 242 CG LEU A 15 42.785 51.595 19.282 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.717 52.330 18.322 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.410 50.237 19.591 1.00 0.00 C ATOM 0 H LEU A 15 41.496 54.169 22.448 1.00 0.00 H new ATOM 0 HA LEU A 15 42.165 54.232 19.580 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.559 52.585 21.009 1.00 0.00 H new ATOM 0 HB3 LEU A 15 42.055 51.730 21.285 1.00 0.00 H new ATOM 0 HG LEU A 15 41.807 51.483 18.814 1.00 0.00 H new ATOM 0 HD11 LEU A 15 43.837 51.744 17.411 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.291 53.302 18.075 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.690 52.469 18.794 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.555 49.684 18.663 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.373 50.383 20.081 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.749 49.674 20.250 1.00 0.00 H new ATOM 256 N GLU A 16 39.925 53.366 18.941 1.00 0.00 N ATOM 257 CA GLU A 16 38.585 52.982 18.546 1.00 0.00 C ATOM 258 C GLU A 16 38.568 51.569 17.959 1.00 0.00 C ATOM 259 O GLU A 16 39.382 51.228 17.105 1.00 0.00 O ATOM 260 CB GLU A 16 37.973 54.002 17.589 1.00 0.00 C ATOM 261 CG GLU A 16 37.603 55.298 18.307 1.00 0.00 C ATOM 262 CD GLU A 16 36.869 56.256 17.367 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.644 56.096 17.179 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.512 57.173 16.810 1.00 0.00 O ATOM 0 H GLU A 16 40.544 53.552 18.152 1.00 0.00 H new ATOM 0 HA GLU A 16 37.963 52.970 19.441 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.679 54.219 16.788 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.084 53.577 17.124 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.973 55.074 19.168 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.505 55.777 18.688 1.00 0.00 H new ATOM 271 N VAL A 17 37.647 50.750 18.458 1.00 0.00 N ATOM 272 CA VAL A 17 37.505 49.326 18.230 1.00 0.00 C ATOM 273 C VAL A 17 36.027 48.943 18.147 1.00 0.00 C ATOM 274 O VAL A 17 35.151 49.748 18.456 1.00 0.00 O ATOM 275 CB VAL A 17 38.198 48.518 19.325 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.701 48.776 19.375 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.612 48.768 20.711 1.00 0.00 C ATOM 0 H VAL A 17 36.922 51.101 19.084 1.00 0.00 H new ATOM 0 HA VAL A 17 37.985 49.091 17.280 1.00 0.00 H new ATOM 0 HB VAL A 17 38.020 47.477 19.054 1.00 0.00 H new ATOM 0 HG11 VAL A 17 40.147 48.178 20.170 1.00 0.00 H new ATOM 0 HG12 VAL A 17 40.149 48.502 18.420 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.882 49.833 19.571 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.146 48.166 21.446 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.713 49.823 20.964 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.557 48.494 20.715 1.00 0.00 H new ATOM 287 N GLU A 18 35.715 47.705 17.774 1.00 0.00 N ATOM 288 CA GLU A 18 34.365 47.182 17.711 1.00 0.00 C ATOM 289 C GLU A 18 34.233 45.876 18.497 1.00 0.00 C ATOM 290 O GLU A 18 35.202 45.122 18.559 1.00 0.00 O ATOM 291 CB GLU A 18 33.960 46.993 16.251 1.00 0.00 C ATOM 292 CG GLU A 18 33.884 48.273 15.426 1.00 0.00 C ATOM 293 CD GLU A 18 32.807 49.247 15.908 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.699 48.813 16.291 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.023 50.478 15.868 1.00 0.00 O ATOM 0 H GLU A 18 36.421 47.022 17.500 1.00 0.00 H new ATOM 0 HA GLU A 18 33.689 47.900 18.176 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.672 46.317 15.778 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.987 46.503 16.221 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.853 48.772 15.454 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.689 48.014 14.385 1.00 0.00 H new ATOM 302 N PRO A 19 33.082 45.528 19.066 1.00 0.00 N ATOM 303 CA PRO A 19 32.916 44.324 19.853 1.00 0.00 C ATOM 304 C PRO A 19 33.263 43.000 19.170 1.00 0.00 C ATOM 305 O PRO A 19 33.554 42.023 19.857 1.00 0.00 O ATOM 306 CB PRO A 19 31.459 44.322 20.307 1.00 0.00 C ATOM 307 CG PRO A 19 31.092 45.802 20.352 1.00 0.00 C ATOM 308 CD PRO A 19 31.921 46.382 19.210 1.00 0.00 C ATOM 0 HA PRO A 19 33.638 44.366 20.668 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.824 43.773 19.612 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.344 43.851 21.283 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.024 45.960 20.200 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.348 46.255 21.310 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.343 46.409 18.286 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.219 47.407 19.429 1.00 0.00 H new ATOM 316 N SER A 20 33.243 42.960 17.840 1.00 0.00 N ATOM 317 CA SER A 20 33.641 41.812 17.052 1.00 0.00 C ATOM 318 C SER A 20 35.104 41.814 16.605 1.00 0.00 C ATOM 319 O SER A 20 35.506 40.882 15.913 1.00 0.00 O ATOM 320 CB SER A 20 32.713 41.568 15.866 1.00 0.00 C ATOM 321 OG SER A 20 31.360 41.824 16.171 1.00 0.00 O ATOM 0 H SER A 20 32.940 43.751 17.271 1.00 0.00 H new ATOM 0 HA SER A 20 33.544 40.976 17.745 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.020 42.202 15.034 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.817 40.535 15.535 1.00 0.00 H new ATOM 0 HG SER A 20 30.808 41.655 15.379 1.00 0.00 H new ATOM 327 N ASP A 21 35.920 42.797 16.976 1.00 0.00 N ATOM 328 CA ASP A 21 37.343 42.779 16.705 1.00 0.00 C ATOM 329 C ASP A 21 38.018 41.612 17.429 1.00 0.00 C ATOM 330 O ASP A 21 37.803 41.414 18.623 1.00 0.00 O ATOM 331 CB ASP A 21 38.030 44.072 17.134 1.00 0.00 C ATOM 332 CG ASP A 21 37.948 45.226 16.132 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.002 44.985 14.907 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.915 46.400 16.558 1.00 0.00 O ATOM 0 H ASP A 21 35.605 43.629 17.475 1.00 0.00 H new ATOM 0 HA ASP A 21 37.447 42.667 15.626 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.592 44.400 18.076 1.00 0.00 H new ATOM 0 HB3 ASP A 21 39.081 43.857 17.329 1.00 0.00 H new ATOM 339 N THR A 22 38.869 40.869 16.727 1.00 0.00 N ATOM 340 CA THR A 22 39.775 39.914 17.334 1.00 0.00 C ATOM 341 C THR A 22 40.975 40.607 17.980 1.00 0.00 C ATOM 342 O THR A 22 41.263 41.767 17.697 1.00 0.00 O ATOM 343 CB THR A 22 40.291 38.855 16.364 1.00 0.00 C ATOM 344 OG1 THR A 22 41.123 39.431 15.383 1.00 0.00 O ATOM 345 CG2 THR A 22 39.204 38.068 15.638 1.00 0.00 C ATOM 0 H THR A 22 38.945 40.918 15.711 1.00 0.00 H new ATOM 0 HA THR A 22 39.176 39.411 18.094 1.00 0.00 H new ATOM 0 HB THR A 22 40.837 38.159 17.000 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.664 40.193 14.971 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.666 37.340 14.971 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.582 37.549 16.367 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.587 38.752 15.056 1.00 0.00 H new ATOM 353 N ILE A 23 41.753 39.876 18.774 1.00 0.00 N ATOM 354 CA ILE A 23 43.029 40.336 19.284 1.00 0.00 C ATOM 355 C ILE A 23 43.940 40.821 18.154 1.00 0.00 C ATOM 356 O ILE A 23 44.540 41.885 18.291 1.00 0.00 O ATOM 357 CB ILE A 23 43.648 39.260 20.170 1.00 0.00 C ATOM 358 CG1 ILE A 23 43.203 39.408 21.623 1.00 0.00 C ATOM 359 CG2 ILE A 23 45.174 39.235 20.167 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.699 39.368 21.875 1.00 0.00 C ATOM 0 H ILE A 23 41.506 38.935 19.082 1.00 0.00 H new ATOM 0 HA ILE A 23 42.879 41.212 19.916 1.00 0.00 H new ATOM 0 HB ILE A 23 43.289 38.328 19.733 1.00 0.00 H new ATOM 0 HG12 ILE A 23 43.669 38.614 22.206 1.00 0.00 H new ATOM 0 HG13 ILE A 23 43.589 40.353 22.005 1.00 0.00 H new ATOM 0 HG21 ILE A 23 45.526 38.440 20.824 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.533 39.055 19.154 1.00 0.00 H new ATOM 0 HG23 ILE A 23 45.554 40.193 20.521 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.506 39.483 22.942 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.217 40.179 21.329 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.298 38.413 21.534 1.00 0.00 H new ATOM 372 N GLU A 24 44.001 40.135 17.015 1.00 0.00 N ATOM 373 CA GLU A 24 44.815 40.572 15.898 1.00 0.00 C ATOM 374 C GLU A 24 44.310 41.854 15.232 1.00 0.00 C ATOM 375 O GLU A 24 45.125 42.657 14.785 1.00 0.00 O ATOM 376 CB GLU A 24 44.981 39.463 14.864 1.00 0.00 C ATOM 377 CG GLU A 24 45.841 38.321 15.397 1.00 0.00 C ATOM 378 CD GLU A 24 46.327 37.416 14.262 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.246 37.834 13.524 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.852 36.269 14.122 1.00 0.00 O ATOM 0 H GLU A 24 43.490 39.268 16.847 1.00 0.00 H new ATOM 0 HA GLU A 24 45.790 40.810 16.324 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.001 39.079 14.581 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.436 39.871 13.962 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.698 38.728 15.933 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.266 37.734 16.113 1.00 0.00 H new ATOM 387 N ASN A 25 43.004 42.106 15.233 1.00 0.00 N ATOM 388 CA ASN A 25 42.460 43.366 14.769 1.00 0.00 C ATOM 389 C ASN A 25 42.852 44.523 15.691 1.00 0.00 C ATOM 390 O ASN A 25 43.214 45.594 15.210 1.00 0.00 O ATOM 391 CB ASN A 25 40.941 43.289 14.646 1.00 0.00 C ATOM 392 CG ASN A 25 40.442 42.240 13.649 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.825 41.247 14.030 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.715 42.398 12.357 1.00 0.00 N ATOM 0 H ASN A 25 42.300 41.441 15.555 1.00 0.00 H new ATOM 0 HA ASN A 25 42.886 43.558 13.784 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.519 43.070 15.627 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.562 44.266 14.347 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.413 41.695 11.682 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.227 43.222 12.041 1.00 0.00 H new ATOM 401 N VAL A 26 42.852 44.310 17.004 1.00 0.00 N ATOM 402 CA VAL A 26 43.311 45.302 17.956 1.00 0.00 C ATOM 403 C VAL A 26 44.811 45.558 17.793 1.00 0.00 C ATOM 404 O VAL A 26 45.202 46.719 17.696 1.00 0.00 O ATOM 405 CB VAL A 26 42.927 44.939 19.387 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.425 45.974 20.392 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.410 44.859 19.535 1.00 0.00 C ATOM 0 H VAL A 26 42.532 43.442 17.433 1.00 0.00 H new ATOM 0 HA VAL A 26 42.800 46.240 17.739 1.00 0.00 H new ATOM 0 HB VAL A 26 43.392 43.974 19.591 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.129 45.676 21.398 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.512 46.040 20.338 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.990 46.946 20.159 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.158 44.599 20.563 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.969 45.824 19.286 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.018 44.097 18.861 1.00 0.00 H new ATOM 417 N LYS A 27 45.635 44.525 17.639 1.00 0.00 N ATOM 418 CA LYS A 27 47.043 44.687 17.342 1.00 0.00 C ATOM 419 C LYS A 27 47.299 45.465 16.050 1.00 0.00 C ATOM 420 O LYS A 27 48.215 46.283 16.011 1.00 0.00 O ATOM 421 CB LYS A 27 47.752 43.339 17.261 1.00 0.00 C ATOM 422 CG LYS A 27 47.847 42.574 18.578 1.00 0.00 C ATOM 423 CD LYS A 27 48.648 41.294 18.357 1.00 0.00 C ATOM 424 CE LYS A 27 48.726 40.464 19.635 1.00 0.00 C ATOM 425 NZ LYS A 27 49.678 39.354 19.472 1.00 0.00 N ATOM 0 H LYS A 27 45.338 43.552 17.718 1.00 0.00 H new ATOM 0 HA LYS A 27 47.449 45.269 18.169 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.231 42.716 16.534 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.760 43.499 16.879 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.327 43.191 19.337 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.849 42.334 18.946 1.00 0.00 H new ATOM 0 HD2 LYS A 27 48.186 40.705 17.565 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.654 41.545 18.021 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.035 41.096 20.468 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.739 40.071 19.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.260 38.480 19.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.893 39.226 18.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.555 39.570 19.988 1.00 0.00 H new ATOM 439 N ALA A 28 46.489 45.251 15.017 1.00 0.00 N ATOM 440 CA ALA A 28 46.576 45.958 13.755 1.00 0.00 C ATOM 441 C ALA A 28 46.200 47.435 13.893 1.00 0.00 C ATOM 442 O ALA A 28 46.918 48.300 13.397 1.00 0.00 O ATOM 443 CB ALA A 28 45.695 45.246 12.732 1.00 0.00 C ATOM 0 H ALA A 28 45.737 44.562 15.041 1.00 0.00 H new ATOM 0 HA ALA A 28 47.611 45.945 13.414 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.751 45.768 11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.041 44.220 12.605 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.663 45.240 13.082 1.00 0.00 H new ATOM 449 N LYS A 29 45.138 47.745 14.631 1.00 0.00 N ATOM 450 CA LYS A 29 44.721 49.101 14.927 1.00 0.00 C ATOM 451 C LYS A 29 45.713 49.846 15.822 1.00 0.00 C ATOM 452 O LYS A 29 45.839 51.061 15.683 1.00 0.00 O ATOM 453 CB LYS A 29 43.312 49.091 15.513 1.00 0.00 C ATOM 454 CG LYS A 29 42.252 48.745 14.470 1.00 0.00 C ATOM 455 CD LYS A 29 40.856 48.661 15.082 1.00 0.00 C ATOM 456 CE LYS A 29 39.853 48.244 14.010 1.00 0.00 C ATOM 457 NZ LYS A 29 38.490 48.129 14.550 1.00 0.00 N ATOM 0 H LYS A 29 44.532 47.038 15.048 1.00 0.00 H new ATOM 0 HA LYS A 29 44.705 49.658 13.990 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.265 48.369 16.328 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.092 50.069 15.940 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.258 49.499 13.683 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.501 47.793 14.002 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.849 47.941 15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.574 49.626 15.503 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.862 48.974 13.200 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.156 47.289 13.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.910 47.551 13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.525 47.678 15.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.070 49.076 14.637 1.00 0.00 H new ATOM 471 N ILE A 30 46.452 49.141 16.675 1.00 0.00 N ATOM 472 CA ILE A 30 47.593 49.653 17.404 1.00 0.00 C ATOM 473 C ILE A 30 48.761 49.948 16.460 1.00 0.00 C ATOM 474 O ILE A 30 49.321 51.039 16.539 1.00 0.00 O ATOM 475 CB ILE A 30 47.972 48.713 18.544 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.913 48.749 19.644 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.337 49.047 19.139 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.016 47.612 20.657 1.00 0.00 C ATOM 0 H ILE A 30 46.259 48.161 16.880 1.00 0.00 H new ATOM 0 HA ILE A 30 47.320 50.604 17.861 1.00 0.00 H new ATOM 0 HB ILE A 30 48.027 47.710 18.120 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.989 49.699 20.173 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.926 48.719 19.182 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.562 48.350 19.947 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.101 48.965 18.366 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.324 50.064 19.530 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.227 47.715 21.401 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.908 46.657 20.144 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.987 47.651 21.150 1.00 0.00 H new ATOM 490 N GLN A 31 49.107 49.057 15.535 1.00 0.00 N ATOM 491 CA GLN A 31 50.146 49.295 14.553 1.00 0.00 C ATOM 492 C GLN A 31 49.847 50.537 13.712 1.00 0.00 C ATOM 493 O GLN A 31 50.725 51.375 13.517 1.00 0.00 O ATOM 494 CB GLN A 31 50.340 48.073 13.658 1.00 0.00 C ATOM 495 CG GLN A 31 51.575 48.232 12.776 1.00 0.00 C ATOM 496 CD GLN A 31 51.808 47.099 11.776 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.964 46.249 11.502 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.998 47.055 11.181 1.00 0.00 N ATOM 0 H GLN A 31 48.666 48.141 15.450 1.00 0.00 H new ATOM 0 HA GLN A 31 51.074 49.475 15.095 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.441 47.179 14.274 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.458 47.932 13.033 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.492 49.170 12.226 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.452 48.316 13.418 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.705 47.756 11.402 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.203 46.320 10.504 1.00 0.00 H new ATOM 507 N ASP A 32 48.602 50.719 13.282 1.00 0.00 N ATOM 508 CA ASP A 32 48.157 51.873 12.525 1.00 0.00 C ATOM 509 C ASP A 32 48.251 53.213 13.257 1.00 0.00 C ATOM 510 O ASP A 32 48.045 54.252 12.634 1.00 0.00 O ATOM 511 CB ASP A 32 46.716 51.652 12.076 1.00 0.00 C ATOM 512 CG ASP A 32 46.503 50.512 11.078 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.441 50.115 10.354 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.338 50.077 10.956 1.00 0.00 O ATOM 0 H ASP A 32 47.857 50.045 13.458 1.00 0.00 H new ATOM 0 HA ASP A 32 48.844 51.950 11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.105 51.458 12.958 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.348 52.576 11.630 1.00 0.00 H new ATOM 519 N LYS A 33 48.538 53.215 14.555 1.00 0.00 N ATOM 520 CA LYS A 33 48.640 54.403 15.378 1.00 0.00 C ATOM 521 C LYS A 33 50.021 54.602 16.008 1.00 0.00 C ATOM 522 O LYS A 33 50.574 55.695 15.910 1.00 0.00 O ATOM 523 CB LYS A 33 47.499 54.393 16.390 1.00 0.00 C ATOM 524 CG LYS A 33 47.312 55.757 17.049 1.00 0.00 C ATOM 525 CD LYS A 33 45.970 55.865 17.767 1.00 0.00 C ATOM 526 CE LYS A 33 45.747 57.301 18.231 1.00 0.00 C ATOM 527 NZ LYS A 33 44.372 57.508 18.711 1.00 0.00 N ATOM 0 H LYS A 33 48.711 52.355 15.076 1.00 0.00 H new ATOM 0 HA LYS A 33 48.535 55.280 14.740 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.575 54.100 15.892 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.699 53.644 17.156 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.119 55.929 17.761 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.382 56.538 16.292 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.164 55.559 17.099 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.949 55.189 18.622 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.451 57.540 19.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.953 57.986 17.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.318 58.407 19.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.722 57.538 17.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.103 56.726 19.341 1.00 0.00 H new ATOM 541 N GLU A 34 50.601 53.573 16.620 1.00 0.00 N ATOM 542 CA GLU A 34 51.866 53.620 17.324 1.00 0.00 C ATOM 543 C GLU A 34 52.989 52.831 16.648 1.00 0.00 C ATOM 544 O GLU A 34 54.106 52.791 17.161 1.00 0.00 O ATOM 545 CB GLU A 34 51.663 53.161 18.765 1.00 0.00 C ATOM 546 CG GLU A 34 50.835 54.118 19.618 1.00 0.00 C ATOM 547 CD GLU A 34 51.503 55.475 19.847 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.675 55.504 20.282 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.861 56.522 19.614 1.00 0.00 O ATOM 0 H GLU A 34 50.178 52.645 16.636 1.00 0.00 H new ATOM 0 HA GLU A 34 52.199 54.658 17.304 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.177 52.185 18.758 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.639 53.028 19.232 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.869 54.275 19.138 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.639 53.652 20.584 1.00 0.00 H new ATOM 556 N GLY A 35 52.741 52.200 15.504 1.00 0.00 N ATOM 557 CA GLY A 35 53.772 51.652 14.647 1.00 0.00 C ATOM 558 C GLY A 35 54.428 50.340 15.082 1.00 0.00 C ATOM 559 O GLY A 35 55.258 49.824 14.336 1.00 0.00 O ATOM 0 H GLY A 35 51.797 52.056 15.145 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.341 51.501 13.657 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.556 52.402 14.542 1.00 0.00 H new ATOM 563 N ILE A 36 54.075 49.777 16.234 1.00 0.00 N ATOM 564 CA ILE A 36 54.645 48.552 16.758 1.00 0.00 C ATOM 565 C ILE A 36 54.150 47.324 15.993 1.00 0.00 C ATOM 566 O ILE A 36 52.941 47.104 15.952 1.00 0.00 O ATOM 567 CB ILE A 36 54.460 48.469 18.270 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.072 47.177 18.805 1.00 0.00 C ATOM 569 CG2 ILE A 36 53.019 48.649 18.737 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.115 47.052 20.326 1.00 0.00 C ATOM 0 H ILE A 36 53.362 50.178 16.843 1.00 0.00 H new ATOM 0 HA ILE A 36 55.722 48.568 16.592 1.00 0.00 H new ATOM 0 HB ILE A 36 54.994 49.320 18.693 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.508 46.335 18.404 1.00 0.00 H new ATOM 0 HG13 ILE A 36 56.089 47.091 18.422 1.00 0.00 H new ATOM 0 HG21 ILE A 36 52.977 48.576 19.824 1.00 0.00 H new ATOM 0 HG22 ILE A 36 52.655 49.628 18.425 1.00 0.00 H new ATOM 0 HG23 ILE A 36 52.394 47.872 18.297 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.568 46.099 20.600 1.00 0.00 H new ATOM 0 HD12 ILE A 36 55.707 47.868 20.742 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.101 47.100 20.724 1.00 0.00 H new ATOM 582 N PRO A 37 55.008 46.494 15.406 1.00 0.00 N ATOM 583 CA PRO A 37 54.576 45.332 14.654 1.00 0.00 C ATOM 584 C PRO A 37 53.819 44.306 15.499 1.00 0.00 C ATOM 585 O PRO A 37 54.300 43.945 16.570 1.00 0.00 O ATOM 586 CB PRO A 37 55.825 44.725 14.023 1.00 0.00 C ATOM 587 CG PRO A 37 56.795 45.901 13.957 1.00 0.00 C ATOM 588 CD PRO A 37 56.428 46.695 15.207 1.00 0.00 C ATOM 0 HA PRO A 37 53.858 45.641 13.895 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.223 43.909 14.626 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.618 44.319 13.033 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.834 45.573 13.974 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.661 46.488 13.048 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.996 46.348 16.070 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.658 47.753 15.079 1.00 0.00 H new ATOM 596 N PRO A 38 52.673 43.793 15.059 1.00 0.00 N ATOM 597 CA PRO A 38 51.887 42.821 15.791 1.00 0.00 C ATOM 598 C PRO A 38 52.609 41.559 16.270 1.00 0.00 C ATOM 599 O PRO A 38 52.188 40.995 17.276 1.00 0.00 O ATOM 600 CB PRO A 38 50.730 42.453 14.865 1.00 0.00 C ATOM 601 CG PRO A 38 50.489 43.749 14.097 1.00 0.00 C ATOM 602 CD PRO A 38 51.909 44.284 13.929 1.00 0.00 C ATOM 0 HA PRO A 38 51.585 43.285 16.730 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.990 41.630 14.199 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.847 42.143 15.424 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.003 43.571 13.138 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.855 44.441 14.652 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.343 43.942 12.990 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.912 45.374 13.903 1.00 0.00 H new ATOM 610 N ASP A 39 53.673 41.100 15.617 1.00 0.00 N ATOM 611 CA ASP A 39 54.407 39.919 16.023 1.00 0.00 C ATOM 612 C ASP A 39 55.176 40.108 17.332 1.00 0.00 C ATOM 613 O ASP A 39 55.428 39.134 18.038 1.00 0.00 O ATOM 614 CB ASP A 39 55.328 39.469 14.892 1.00 0.00 C ATOM 615 CG ASP A 39 55.903 38.066 15.098 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.116 37.861 14.879 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.126 37.139 15.415 1.00 0.00 O ATOM 0 H ASP A 39 54.049 41.548 14.781 1.00 0.00 H new ATOM 0 HA ASP A 39 53.677 39.135 16.225 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.776 39.493 13.953 1.00 0.00 H new ATOM 0 HB3 ASP A 39 56.149 40.180 14.797 1.00 0.00 H new ATOM 622 N GLN A 40 55.473 41.350 17.705 1.00 0.00 N ATOM 623 CA GLN A 40 56.076 41.727 18.967 1.00 0.00 C ATOM 624 C GLN A 40 55.089 42.301 19.986 1.00 0.00 C ATOM 625 O GLN A 40 55.523 42.827 21.008 1.00 0.00 O ATOM 626 CB GLN A 40 57.310 42.597 18.747 1.00 0.00 C ATOM 627 CG GLN A 40 57.016 43.983 18.181 1.00 0.00 C ATOM 628 CD GLN A 40 58.203 44.940 18.306 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.302 45.748 19.226 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.150 44.911 17.373 1.00 0.00 N ATOM 0 H GLN A 40 55.289 42.153 17.104 1.00 0.00 H new ATOM 0 HA GLN A 40 56.416 40.805 19.438 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.833 42.710 19.697 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.988 42.078 18.069 1.00 0.00 H new ATOM 0 HG2 GLN A 40 56.739 43.890 17.131 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.157 44.408 18.700 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.085 44.247 16.601 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.941 45.553 17.429 1.00 0.00 H new ATOM 639 N GLN A 41 53.782 42.200 19.765 1.00 0.00 N ATOM 640 CA GLN A 41 52.764 42.629 20.703 1.00 0.00 C ATOM 641 C GLN A 41 52.162 41.452 21.474 1.00 0.00 C ATOM 642 O GLN A 41 51.867 40.416 20.882 1.00 0.00 O ATOM 643 CB GLN A 41 51.643 43.364 19.974 1.00 0.00 C ATOM 644 CG GLN A 41 52.001 44.678 19.284 1.00 0.00 C ATOM 645 CD GLN A 41 50.762 45.329 18.667 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.689 45.358 19.266 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.809 45.869 17.452 1.00 0.00 N ATOM 0 H GLN A 41 53.398 41.807 18.906 1.00 0.00 H new ATOM 0 HA GLN A 41 53.251 43.297 21.414 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.230 42.690 19.223 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.849 43.566 20.693 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.454 45.359 20.004 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.744 44.495 18.508 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.682 45.863 16.925 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.972 46.289 17.048 1.00 0.00 H new ATOM 656 N ARG A 42 51.852 41.644 22.753 1.00 0.00 N ATOM 657 CA ARG A 42 50.918 40.844 23.520 1.00 0.00 C ATOM 658 C ARG A 42 49.927 41.732 24.276 1.00 0.00 C ATOM 659 O ARG A 42 50.322 42.790 24.762 1.00 0.00 O ATOM 660 CB ARG A 42 51.625 39.849 24.436 1.00 0.00 C ATOM 661 CG ARG A 42 52.641 40.469 25.391 1.00 0.00 C ATOM 662 CD ARG A 42 53.292 39.449 26.322 1.00 0.00 C ATOM 663 NE ARG A 42 54.532 39.982 26.886 1.00 0.00 N ATOM 664 CZ ARG A 42 55.013 39.880 28.133 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.407 39.188 29.108 1.00 0.00 N ATOM 666 NH2 ARG A 42 56.159 40.494 28.454 1.00 0.00 N ATOM 0 H ARG A 42 52.267 42.397 23.302 1.00 0.00 H new ATOM 0 HA ARG A 42 50.343 40.244 22.814 1.00 0.00 H new ATOM 0 HB2 ARG A 42 50.874 39.318 25.021 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.132 39.107 23.820 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.417 40.969 24.811 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.147 41.234 25.990 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.603 39.191 27.126 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.501 38.530 25.774 1.00 0.00 H new ATOM 0 HE ARG A 42 55.116 40.508 26.236 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.530 38.702 28.919 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.823 39.147 30.039 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.661 41.036 27.751 1.00 0.00 H new ATOM 0 HH22 ARG A 42 56.529 40.420 29.401 1.00 0.00 H new ATOM 680 N LEU A 43 48.669 41.310 24.369 1.00 0.00 N ATOM 681 CA LEU A 43 47.582 42.048 24.979 1.00 0.00 C ATOM 682 C LEU A 43 47.018 41.327 26.206 1.00 0.00 C ATOM 683 O LEU A 43 46.895 40.104 26.218 1.00 0.00 O ATOM 684 CB LEU A 43 46.493 42.317 23.945 1.00 0.00 C ATOM 685 CG LEU A 43 46.838 43.409 22.937 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.892 43.364 21.741 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.724 44.803 23.545 1.00 0.00 C ATOM 0 H LEU A 43 48.373 40.405 24.004 1.00 0.00 H new ATOM 0 HA LEU A 43 47.975 43.001 25.332 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.285 41.393 23.405 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.576 42.595 24.465 1.00 0.00 H new ATOM 0 HG LEU A 43 47.867 43.221 22.629 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.158 44.152 21.037 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.973 42.395 21.249 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.867 43.513 22.082 1.00 0.00 H new ATOM 0 HD21 LEU A 43 46.978 45.550 22.793 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.703 44.968 23.889 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.409 44.889 24.388 1.00 0.00 H new ATOM 699 N ILE A 44 46.681 42.097 27.237 1.00 0.00 N ATOM 700 CA ILE A 44 46.214 41.648 28.533 1.00 0.00 C ATOM 701 C ILE A 44 44.955 42.422 28.932 1.00 0.00 C ATOM 702 O ILE A 44 44.886 43.638 28.771 1.00 0.00 O ATOM 703 CB ILE A 44 47.329 41.790 29.564 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.499 40.856 29.263 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.839 41.591 30.995 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.755 41.141 30.081 1.00 0.00 C ATOM 0 H ILE A 44 46.732 43.114 27.180 1.00 0.00 H new ATOM 0 HA ILE A 44 45.946 40.593 28.484 1.00 0.00 H new ATOM 0 HB ILE A 44 47.681 42.818 29.484 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.185 39.828 29.447 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.745 40.930 28.204 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.675 41.704 31.685 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.076 42.335 31.225 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.415 40.592 31.099 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.537 40.433 29.806 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.097 42.156 29.880 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.529 41.038 31.142 1.00 0.00 H new ATOM 718 N PHE A 45 43.980 41.716 29.496 1.00 0.00 N ATOM 719 CA PHE A 45 42.843 42.280 30.196 1.00 0.00 C ATOM 720 C PHE A 45 42.365 41.302 31.272 1.00 0.00 C ATOM 721 O PHE A 45 42.414 40.092 31.061 1.00 0.00 O ATOM 722 CB PHE A 45 41.723 42.601 29.211 1.00 0.00 C ATOM 723 CG PHE A 45 40.572 43.384 29.795 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.646 44.779 29.886 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.417 42.727 30.235 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.570 45.511 30.402 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.345 43.457 30.764 1.00 0.00 C ATOM 728 CZ PHE A 45 38.417 44.852 30.845 1.00 0.00 C ATOM 0 H PHE A 45 43.965 40.696 29.474 1.00 0.00 H new ATOM 0 HA PHE A 45 43.141 43.210 30.680 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.142 43.165 28.377 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.338 41.666 28.803 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.537 45.293 29.557 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.352 41.651 30.166 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.630 46.588 30.459 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.461 42.942 31.110 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.589 45.417 31.247 1.00 0.00 H new ATOM 738 N ALA A 46 41.883 41.798 32.408 1.00 0.00 N ATOM 739 CA ALA A 46 41.390 41.013 33.520 1.00 0.00 C ATOM 740 C ALA A 46 42.328 39.883 33.951 1.00 0.00 C ATOM 741 O ALA A 46 41.954 38.712 33.981 1.00 0.00 O ATOM 742 CB ALA A 46 39.957 40.570 33.236 1.00 0.00 C ATOM 0 H ALA A 46 41.826 42.802 32.579 1.00 0.00 H new ATOM 0 HA ALA A 46 41.371 41.652 34.403 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.586 39.979 34.073 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.324 41.448 33.103 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.936 39.967 32.329 1.00 0.00 H new ATOM 748 N GLY A 47 43.569 40.235 34.273 1.00 0.00 N ATOM 749 CA GLY A 47 44.576 39.365 34.847 1.00 0.00 C ATOM 750 C GLY A 47 45.213 38.332 33.916 1.00 0.00 C ATOM 751 O GLY A 47 46.133 37.645 34.355 1.00 0.00 O ATOM 0 H GLY A 47 43.912 41.185 34.131 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.371 39.990 35.255 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.126 38.834 35.686 1.00 0.00 H new ATOM 755 N LYS A 48 44.768 38.208 32.669 1.00 0.00 N ATOM 756 CA LYS A 48 45.193 37.187 31.733 1.00 0.00 C ATOM 757 C LYS A 48 45.542 37.743 30.350 1.00 0.00 C ATOM 758 O LYS A 48 44.987 38.745 29.904 1.00 0.00 O ATOM 759 CB LYS A 48 44.127 36.099 31.639 1.00 0.00 C ATOM 760 CG LYS A 48 44.129 35.171 32.851 1.00 0.00 C ATOM 761 CD LYS A 48 42.995 34.152 32.790 1.00 0.00 C ATOM 762 CE LYS A 48 43.158 33.007 33.786 1.00 0.00 C ATOM 763 NZ LYS A 48 43.137 33.421 35.198 1.00 0.00 N ATOM 0 H LYS A 48 44.075 38.843 32.273 1.00 0.00 H new ATOM 0 HA LYS A 48 46.117 36.757 32.119 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.146 36.564 31.543 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.291 35.512 30.736 1.00 0.00 H new ATOM 0 HG2 LYS A 48 45.084 34.648 32.906 1.00 0.00 H new ATOM 0 HG3 LYS A 48 44.036 35.763 33.762 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.049 34.659 32.982 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.938 33.742 31.782 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.361 32.282 33.621 1.00 0.00 H new ATOM 0 HE3 LYS A 48 44.100 32.497 33.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.253 32.586 35.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.914 34.089 35.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.229 33.881 35.411 1.00 0.00 H new ATOM 777 N GLN A 49 46.455 37.062 29.665 1.00 0.00 N ATOM 778 CA GLN A 49 46.824 37.337 28.292 1.00 0.00 C ATOM 779 C GLN A 49 45.741 36.845 27.329 1.00 0.00 C ATOM 780 O GLN A 49 45.200 35.755 27.498 1.00 0.00 O ATOM 781 CB GLN A 49 48.185 36.699 28.019 1.00 0.00 C ATOM 782 CG GLN A 49 48.851 37.199 26.741 1.00 0.00 C ATOM 783 CD GLN A 49 50.140 36.414 26.492 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.238 36.824 26.861 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.057 35.236 25.879 1.00 0.00 N ATOM 0 H GLN A 49 46.971 36.280 30.068 1.00 0.00 H new ATOM 0 HA GLN A 49 46.907 38.412 28.130 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.845 36.897 28.864 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.063 35.618 27.956 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.173 37.081 25.896 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.072 38.263 26.827 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.151 34.885 25.568 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.899 34.683 25.720 1.00 0.00 H new ATOM 794 N LEU A 50 45.402 37.646 26.323 1.00 0.00 N ATOM 795 CA LEU A 50 44.267 37.422 25.451 1.00 0.00 C ATOM 796 C LEU A 50 44.623 36.588 24.218 1.00 0.00 C ATOM 797 O LEU A 50 45.744 36.642 23.719 1.00 0.00 O ATOM 798 CB LEU A 50 43.624 38.760 25.095 1.00 0.00 C ATOM 799 CG LEU A 50 43.269 39.676 26.263 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.606 40.937 25.717 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.333 39.021 27.274 1.00 0.00 C ATOM 0 H LEU A 50 45.927 38.489 26.091 1.00 0.00 H new ATOM 0 HA LEU A 50 43.533 36.822 25.990 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.301 39.299 24.432 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.714 38.562 24.528 1.00 0.00 H new ATOM 0 HG LEU A 50 44.197 39.907 26.787 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.348 41.599 26.543 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.295 41.448 25.044 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.701 40.666 25.173 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.119 39.723 28.080 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.403 38.741 26.780 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.808 38.130 27.686 1.00 0.00 H new ATOM 813 N GLU A 51 43.666 35.788 23.755 1.00 0.00 N ATOM 814 CA GLU A 51 43.830 34.737 22.772 1.00 0.00 C ATOM 815 C GLU A 51 43.603 35.226 21.339 1.00 0.00 C ATOM 816 O GLU A 51 42.810 36.126 21.075 1.00 0.00 O ATOM 817 CB GLU A 51 42.915 33.563 23.107 1.00 0.00 C ATOM 818 CG GLU A 51 43.272 32.875 24.421 1.00 0.00 C ATOM 819 CD GLU A 51 42.020 32.472 25.203 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.458 31.379 24.973 1.00 0.00 O ATOM 821 OE2 GLU A 51 41.593 33.235 26.097 1.00 0.00 O ATOM 0 H GLU A 51 42.702 35.866 24.079 1.00 0.00 H new ATOM 0 HA GLU A 51 44.867 34.405 22.817 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.885 33.917 23.158 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.961 32.833 22.299 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.875 31.990 24.217 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.882 33.543 25.029 1.00 0.00 H new ATOM 828 N ASP A 52 44.290 34.600 20.387 1.00 0.00 N ATOM 829 CA ASP A 52 44.598 35.201 19.105 1.00 0.00 C ATOM 830 C ASP A 52 43.421 35.242 18.128 1.00 0.00 C ATOM 831 O ASP A 52 43.340 36.145 17.299 1.00 0.00 O ATOM 832 CB ASP A 52 45.809 34.490 18.510 1.00 0.00 C ATOM 833 CG ASP A 52 47.030 34.537 19.431 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.351 33.514 20.073 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.702 35.588 19.503 1.00 0.00 O ATOM 0 H ASP A 52 44.650 33.651 20.491 1.00 0.00 H new ATOM 0 HA ASP A 52 44.829 36.251 19.282 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.552 33.451 18.307 1.00 0.00 H new ATOM 0 HB3 ASP A 52 46.062 34.949 17.554 1.00 0.00 H new ATOM 840 N GLY A 53 42.480 34.307 18.232 1.00 0.00 N ATOM 841 CA GLY A 53 41.261 34.247 17.452 1.00 0.00 C ATOM 842 C GLY A 53 40.005 34.738 18.174 1.00 0.00 C ATOM 843 O GLY A 53 38.919 34.678 17.604 1.00 0.00 O ATOM 0 H GLY A 53 42.557 33.537 18.896 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.397 34.840 16.548 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.100 33.216 17.136 1.00 0.00 H new ATOM 847 N ARG A 54 40.118 35.192 19.419 1.00 0.00 N ATOM 848 CA ARG A 54 39.012 35.549 20.284 1.00 0.00 C ATOM 849 C ARG A 54 38.670 37.035 20.164 1.00 0.00 C ATOM 850 O ARG A 54 39.545 37.821 19.805 1.00 0.00 O ATOM 851 CB ARG A 54 39.384 35.094 21.693 1.00 0.00 C ATOM 852 CG ARG A 54 38.233 34.959 22.687 1.00 0.00 C ATOM 853 CD ARG A 54 37.150 33.962 22.283 1.00 0.00 C ATOM 854 NE ARG A 54 37.653 32.601 22.098 1.00 0.00 N ATOM 855 CZ ARG A 54 37.100 31.639 21.346 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.081 31.851 20.503 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.579 30.390 21.394 1.00 0.00 N ATOM 0 H ARG A 54 41.025 35.325 19.866 1.00 0.00 H new ATOM 0 HA ARG A 54 38.090 35.046 19.993 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.887 34.130 21.619 1.00 0.00 H new ATOM 0 HB3 ARG A 54 40.107 35.800 22.101 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.639 34.660 23.653 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.773 35.938 22.823 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.372 33.953 23.046 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.684 34.298 21.357 1.00 0.00 H new ATOM 0 HE ARG A 54 38.512 32.359 22.592 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.684 32.786 20.408 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.702 31.078 19.956 1.00 0.00 H new ATOM 0 HH21 ARG A 54 38.366 30.169 22.004 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.157 29.659 20.821 1.00 0.00 H new ATOM 871 N THR A 55 37.429 37.435 20.427 1.00 0.00 N ATOM 872 CA THR A 55 36.952 38.786 20.216 1.00 0.00 C ATOM 873 C THR A 55 36.596 39.526 21.507 1.00 0.00 C ATOM 874 O THR A 55 36.343 38.907 22.538 1.00 0.00 O ATOM 875 CB THR A 55 35.797 38.876 19.222 1.00 0.00 C ATOM 876 OG1 THR A 55 34.598 38.300 19.689 1.00 0.00 O ATOM 877 CG2 THR A 55 36.116 38.232 17.876 1.00 0.00 C ATOM 0 H THR A 55 36.716 36.809 20.801 1.00 0.00 H new ATOM 0 HA THR A 55 37.810 39.294 19.776 1.00 0.00 H new ATOM 0 HB THR A 55 35.658 39.950 19.101 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.803 37.502 20.219 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.256 38.329 17.213 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.976 38.730 17.429 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.344 37.176 18.023 1.00 0.00 H new ATOM 885 N LEU A 56 36.571 40.855 21.456 1.00 0.00 N ATOM 886 CA LEU A 56 36.350 41.701 22.612 1.00 0.00 C ATOM 887 C LEU A 56 35.044 41.393 23.347 1.00 0.00 C ATOM 888 O LEU A 56 35.027 41.334 24.575 1.00 0.00 O ATOM 889 CB LEU A 56 36.401 43.169 22.202 1.00 0.00 C ATOM 890 CG LEU A 56 37.728 43.663 21.634 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.624 45.149 21.301 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.889 43.489 22.609 1.00 0.00 C ATOM 0 H LEU A 56 36.707 41.378 20.591 1.00 0.00 H new ATOM 0 HA LEU A 56 37.153 41.487 23.317 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.623 43.344 21.459 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.153 43.777 23.072 1.00 0.00 H new ATOM 0 HG LEU A 56 37.926 43.063 20.746 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.574 45.498 20.896 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.836 45.302 20.563 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.388 45.709 22.206 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.807 43.857 22.151 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.687 44.052 23.520 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.004 42.433 22.853 1.00 0.00 H new ATOM 904 N SER A 57 33.964 41.136 22.616 1.00 0.00 N ATOM 905 CA SER A 57 32.679 40.735 23.153 1.00 0.00 C ATOM 906 C SER A 57 32.703 39.416 23.926 1.00 0.00 C ATOM 907 O SER A 57 31.960 39.277 24.894 1.00 0.00 O ATOM 908 CB SER A 57 31.642 40.645 22.037 1.00 0.00 C ATOM 909 OG SER A 57 32.110 39.873 20.953 1.00 0.00 O ATOM 0 H SER A 57 33.965 41.205 21.598 1.00 0.00 H new ATOM 0 HA SER A 57 32.411 41.511 23.870 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.724 40.206 22.427 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.393 41.648 21.689 1.00 0.00 H new ATOM 0 HG SER A 57 32.637 40.439 20.352 1.00 0.00 H new ATOM 915 N ASP A 58 33.571 38.469 23.579 1.00 0.00 N ATOM 916 CA ASP A 58 33.681 37.203 24.275 1.00 0.00 C ATOM 917 C ASP A 58 34.270 37.368 25.678 1.00 0.00 C ATOM 918 O ASP A 58 33.931 36.604 26.580 1.00 0.00 O ATOM 919 CB ASP A 58 34.559 36.230 23.495 1.00 0.00 C ATOM 920 CG ASP A 58 34.111 35.991 22.051 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.943 35.610 21.822 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.944 36.151 21.134 1.00 0.00 O ATOM 0 H ASP A 58 34.221 38.566 22.799 1.00 0.00 H new ATOM 0 HA ASP A 58 32.668 36.810 24.361 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.581 36.608 23.487 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.577 35.275 24.020 1.00 0.00 H new ATOM 927 N TYR A 59 35.110 38.382 25.872 1.00 0.00 N ATOM 928 CA TYR A 59 35.733 38.737 27.129 1.00 0.00 C ATOM 929 C TYR A 59 34.914 39.697 27.995 1.00 0.00 C ATOM 930 O TYR A 59 35.422 40.151 29.019 1.00 0.00 O ATOM 931 CB TYR A 59 37.122 39.302 26.848 1.00 0.00 C ATOM 932 CG TYR A 59 38.126 38.301 26.329 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.606 37.307 27.190 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.618 38.399 25.022 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.573 36.397 26.745 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.604 37.511 24.577 1.00 0.00 C ATOM 937 CZ TYR A 59 40.082 36.501 25.434 1.00 0.00 C ATOM 938 OH TYR A 59 41.022 35.623 24.982 1.00 0.00 O ATOM 0 H TYR A 59 35.384 39.006 25.113 1.00 0.00 H new ATOM 0 HA TYR A 59 35.800 37.824 27.720 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.029 40.110 26.122 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.511 39.742 27.766 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.230 37.242 28.200 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.237 39.160 24.357 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.928 35.618 27.404 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.999 37.600 23.576 1.00 0.00 H new ATOM 0 HH TYR A 59 40.992 34.805 25.521 1.00 0.00 H new ATOM 948 N ASN A 60 33.685 40.038 27.614 1.00 0.00 N ATOM 949 CA ASN A 60 32.853 41.007 28.297 1.00 0.00 C ATOM 950 C ASN A 60 33.519 42.373 28.473 1.00 0.00 C ATOM 951 O ASN A 60 33.282 43.069 29.457 1.00 0.00 O ATOM 952 CB ASN A 60 32.284 40.412 29.582 1.00 0.00 C ATOM 953 CG ASN A 60 31.493 39.122 29.354 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.992 38.013 29.532 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.236 39.221 28.931 1.00 0.00 N ATOM 0 H ASN A 60 33.233 39.631 26.795 1.00 0.00 H new ATOM 0 HA ASN A 60 32.004 41.228 27.650 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.102 40.211 30.274 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.636 41.148 30.059 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.689 38.378 28.755 1.00 0.00 H new ATOM 0 HD22 ASN A 60 29.819 40.140 28.782 1.00 0.00 H new ATOM 962 N ILE A 61 34.353 42.777 27.518 1.00 0.00 N ATOM 963 CA ILE A 61 34.974 44.084 27.463 1.00 0.00 C ATOM 964 C ILE A 61 33.919 45.146 27.150 1.00 0.00 C ATOM 965 O ILE A 61 32.896 44.859 26.532 1.00 0.00 O ATOM 966 CB ILE A 61 36.169 44.047 26.515 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.272 43.202 27.147 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.712 45.429 26.161 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.444 42.846 26.237 1.00 0.00 C ATOM 0 H ILE A 61 34.620 42.177 26.737 1.00 0.00 H new ATOM 0 HA ILE A 61 35.386 44.369 28.431 1.00 0.00 H new ATOM 0 HB ILE A 61 35.825 43.609 25.578 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.660 43.736 28.014 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.828 42.277 27.514 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.560 45.324 25.484 1.00 0.00 H new ATOM 0 HG22 ILE A 61 35.930 46.014 25.676 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.034 45.937 27.070 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.165 42.245 26.791 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.080 42.278 25.381 1.00 0.00 H new ATOM 0 HD13 ILE A 61 38.925 43.760 25.888 1.00 0.00 H new ATOM 981 N GLN A 62 34.127 46.370 27.629 1.00 0.00 N ATOM 982 CA GLN A 62 33.182 47.468 27.600 1.00 0.00 C ATOM 983 C GLN A 62 33.841 48.755 27.103 1.00 0.00 C ATOM 984 O GLN A 62 35.063 48.880 27.139 1.00 0.00 O ATOM 985 CB GLN A 62 32.616 47.684 29.001 1.00 0.00 C ATOM 986 CG GLN A 62 31.906 46.498 29.645 1.00 0.00 C ATOM 987 CD GLN A 62 30.526 46.206 29.052 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.502 46.539 29.645 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.428 45.565 27.889 1.00 0.00 N ATOM 0 H GLN A 62 35.009 46.630 28.070 1.00 0.00 H new ATOM 0 HA GLN A 62 32.378 47.214 26.909 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.434 47.987 29.655 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.915 48.518 28.960 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.531 45.611 29.539 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.799 46.687 30.713 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.271 45.284 27.389 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.510 45.355 27.498 1.00 0.00 H new ATOM 998 N LYS A 63 33.036 49.729 26.688 1.00 0.00 N ATOM 999 CA LYS A 63 33.500 51.059 26.351 1.00 0.00 C ATOM 1000 C LYS A 63 34.225 51.734 27.517 1.00 0.00 C ATOM 1001 O LYS A 63 33.871 51.554 28.680 1.00 0.00 O ATOM 1002 CB LYS A 63 32.361 51.928 25.828 1.00 0.00 C ATOM 1003 CG LYS A 63 31.275 52.240 26.854 1.00 0.00 C ATOM 1004 CD LYS A 63 30.192 53.128 26.248 1.00 0.00 C ATOM 1005 CE LYS A 63 29.059 53.438 27.223 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.298 52.242 27.616 1.00 0.00 N ATOM 0 H LYS A 63 32.029 49.608 26.577 1.00 0.00 H new ATOM 0 HA LYS A 63 34.230 50.945 25.549 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.777 52.867 25.462 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.903 51.428 24.975 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.831 51.312 27.213 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.717 52.737 27.718 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.642 54.063 25.913 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.780 52.638 25.365 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.473 53.908 28.115 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.381 54.160 26.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.482 52.525 28.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.963 51.748 26.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.910 51.606 28.166 1.00 0.00 H new ATOM 1020 N GLU A 64 35.239 52.531 27.191 1.00 0.00 N ATOM 1021 CA GLU A 64 36.047 53.309 28.108 1.00 0.00 C ATOM 1022 C GLU A 64 36.746 52.472 29.181 1.00 0.00 C ATOM 1023 O GLU A 64 37.075 52.952 30.264 1.00 0.00 O ATOM 1024 CB GLU A 64 35.268 54.509 28.637 1.00 0.00 C ATOM 1025 CG GLU A 64 34.579 55.288 27.520 1.00 0.00 C ATOM 1026 CD GLU A 64 34.080 56.654 27.991 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.325 56.725 28.985 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.451 57.667 27.358 1.00 0.00 O ATOM 0 H GLU A 64 35.531 52.654 26.221 1.00 0.00 H new ATOM 0 HA GLU A 64 36.884 53.716 27.540 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.521 54.168 29.354 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.946 55.172 29.175 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.274 55.423 26.691 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.739 54.708 27.140 1.00 0.00 H new ATOM 1035 N SER A 65 36.979 51.201 28.864 1.00 0.00 N ATOM 1036 CA SER A 65 37.887 50.319 29.572 1.00 0.00 C ATOM 1037 C SER A 65 39.334 50.537 29.128 1.00 0.00 C ATOM 1038 O SER A 65 39.593 51.162 28.101 1.00 0.00 O ATOM 1039 CB SER A 65 37.451 48.864 29.430 1.00 0.00 C ATOM 1040 OG SER A 65 37.505 48.410 28.096 1.00 0.00 O ATOM 0 H SER A 65 36.520 50.745 28.076 1.00 0.00 H new ATOM 0 HA SER A 65 37.845 50.566 30.633 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.090 48.235 30.050 1.00 0.00 H new ATOM 0 HB3 SER A 65 36.434 48.755 29.806 1.00 0.00 H new ATOM 0 HG SER A 65 36.667 48.634 27.640 1.00 0.00 H new ATOM 1046 N THR A 66 40.284 50.036 29.912 1.00 0.00 N ATOM 1047 CA THR A 66 41.707 50.100 29.646 1.00 0.00 C ATOM 1048 C THR A 66 42.266 48.687 29.467 1.00 0.00 C ATOM 1049 O THR A 66 42.118 47.844 30.349 1.00 0.00 O ATOM 1050 CB THR A 66 42.443 50.848 30.753 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.955 52.166 30.852 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.940 50.981 30.485 1.00 0.00 C ATOM 0 H THR A 66 40.068 49.555 30.785 1.00 0.00 H new ATOM 0 HA THR A 66 41.863 50.657 28.722 1.00 0.00 H new ATOM 0 HB THR A 66 42.277 50.267 31.660 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.432 52.639 31.566 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.410 51.522 31.306 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.384 49.989 30.402 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.096 51.527 29.555 1.00 0.00 H new ATOM 1060 N LEU A 67 42.936 48.435 28.345 1.00 0.00 N ATOM 1061 CA LEU A 67 43.665 47.218 28.057 1.00 0.00 C ATOM 1062 C LEU A 67 45.164 47.441 28.268 1.00 0.00 C ATOM 1063 O LEU A 67 45.653 48.555 28.094 1.00 0.00 O ATOM 1064 CB LEU A 67 43.368 46.745 26.637 1.00 0.00 C ATOM 1065 CG LEU A 67 42.052 45.997 26.440 1.00 0.00 C ATOM 1066 CD1 LEU A 67 40.802 46.830 26.706 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.970 45.493 25.002 1.00 0.00 C ATOM 0 H LEU A 67 42.983 49.110 27.581 1.00 0.00 H new ATOM 0 HA LEU A 67 43.340 46.436 28.743 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.371 47.614 25.978 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.183 46.097 26.314 1.00 0.00 H new ATOM 0 HG LEU A 67 42.065 45.189 27.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 39.915 46.218 26.542 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.813 47.183 27.737 1.00 0.00 H new ATOM 0 HD13 LEU A 67 40.784 47.685 26.030 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.031 44.958 24.857 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.015 46.339 24.317 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.805 44.821 24.804 1.00 0.00 H new ATOM 1079 N HIS A 68 45.909 46.392 28.607 1.00 0.00 N ATOM 1080 CA HIS A 68 47.346 46.445 28.780 1.00 0.00 C ATOM 1081 C HIS A 68 48.080 45.842 27.580 1.00 0.00 C ATOM 1082 O HIS A 68 47.721 44.772 27.094 1.00 0.00 O ATOM 1083 CB HIS A 68 47.734 45.768 30.092 1.00 0.00 C ATOM 1084 CG HIS A 68 47.425 46.584 31.318 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.641 46.184 32.399 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.946 47.823 31.587 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.676 47.190 33.276 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.461 48.183 32.827 1.00 0.00 N ATOM 0 H HIS A 68 45.516 45.465 28.771 1.00 0.00 H new ATOM 0 HA HIS A 68 47.655 47.489 28.833 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.214 44.813 30.164 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.802 45.549 30.074 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.604 48.401 30.955 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.146 47.203 34.217 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.664 49.054 33.318 1.00 0.00 H new ATOM 1096 N LEU A 69 49.129 46.519 27.122 1.00 0.00 N ATOM 1097 CA LEU A 69 49.961 46.151 25.994 1.00 0.00 C ATOM 1098 C LEU A 69 51.415 46.007 26.442 1.00 0.00 C ATOM 1099 O LEU A 69 51.955 46.870 27.133 1.00 0.00 O ATOM 1100 CB LEU A 69 49.749 47.197 24.902 1.00 0.00 C ATOM 1101 CG LEU A 69 50.482 47.093 23.569 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.925 47.587 23.620 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.472 45.696 22.953 1.00 0.00 C ATOM 0 H LEU A 69 49.434 47.389 27.558 1.00 0.00 H new ATOM 0 HA LEU A 69 49.687 45.179 25.584 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.682 47.217 24.680 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.003 48.166 25.333 1.00 0.00 H new ATOM 0 HG LEU A 69 49.900 47.757 22.929 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.381 47.482 22.635 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.940 48.636 23.917 1.00 0.00 H new ATOM 0 HD13 LEU A 69 52.486 46.997 24.345 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.015 45.711 22.008 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.951 44.994 23.635 1.00 0.00 H new ATOM 0 HD23 LEU A 69 49.443 45.384 22.775 1.00 0.00 H new ATOM 1115 N VAL A 70 52.052 44.908 26.049 1.00 0.00 N ATOM 1116 CA VAL A 70 53.411 44.557 26.411 1.00 0.00 C ATOM 1117 C VAL A 70 54.190 44.086 25.182 1.00 0.00 C ATOM 1118 O VAL A 70 53.609 43.548 24.242 1.00 0.00 O ATOM 1119 CB VAL A 70 53.466 43.493 27.504 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.681 43.699 28.403 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.225 43.405 28.388 1.00 0.00 C ATOM 0 H VAL A 70 51.613 44.213 25.445 1.00 0.00 H new ATOM 0 HA VAL A 70 53.875 45.459 26.810 1.00 0.00 H new ATOM 0 HB VAL A 70 53.530 42.553 26.955 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.698 42.929 29.174 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.591 43.635 27.806 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.624 44.681 28.873 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.363 42.620 29.132 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.069 44.359 28.892 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.356 43.173 27.773 1.00 0.00 H new ATOM 1131 N LEU A 71 55.511 44.242 25.219 1.00 0.00 N ATOM 1132 CA LEU A 71 56.421 43.661 24.253 1.00 0.00 C ATOM 1133 C LEU A 71 56.419 42.135 24.366 1.00 0.00 C ATOM 1134 O LEU A 71 56.330 41.598 25.468 1.00 0.00 O ATOM 1135 CB LEU A 71 57.808 44.257 24.477 1.00 0.00 C ATOM 1136 CG LEU A 71 58.883 43.819 23.487 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.630 44.354 22.080 1.00 0.00 C ATOM 1138 CD2 LEU A 71 60.242 44.353 23.931 1.00 0.00 C ATOM 0 H LEU A 71 55.982 44.789 25.940 1.00 0.00 H new ATOM 0 HA LEU A 71 56.101 43.896 23.238 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.727 45.343 24.440 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.138 43.996 25.483 1.00 0.00 H new ATOM 0 HG LEU A 71 58.861 42.729 23.467 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.423 44.014 21.414 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.670 43.987 21.718 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.617 45.444 22.102 1.00 0.00 H new ATOM 0 HD21 LEU A 71 61.007 44.038 23.221 1.00 0.00 H new ATOM 0 HD22 LEU A 71 60.210 45.442 23.970 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.481 43.961 24.920 1.00 0.00 H new ATOM 1150 N ARG A 72 56.529 41.433 23.242 1.00 0.00 N ATOM 1151 CA ARG A 72 56.564 39.988 23.153 1.00 0.00 C ATOM 1152 C ARG A 72 57.898 39.465 22.616 1.00 0.00 C ATOM 1153 O ARG A 72 58.464 40.037 21.687 1.00 0.00 O ATOM 1154 CB ARG A 72 55.374 39.493 22.336 1.00 0.00 C ATOM 1155 CG ARG A 72 55.153 37.991 22.485 1.00 0.00 C ATOM 1156 CD ARG A 72 53.905 37.495 21.761 1.00 0.00 C ATOM 1157 NE ARG A 72 54.003 37.614 20.307 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.141 37.078 19.432 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.033 36.429 19.810 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.380 37.195 18.119 1.00 0.00 N ATOM 0 H ARG A 72 56.599 41.883 22.329 1.00 0.00 H new ATOM 0 HA ARG A 72 56.481 39.583 24.161 1.00 0.00 H new ATOM 0 HB2 ARG A 72 54.475 40.023 22.650 1.00 0.00 H new ATOM 0 HB3 ARG A 72 55.534 39.732 21.285 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.024 37.462 22.099 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.074 37.745 23.544 1.00 0.00 H new ATOM 0 HD2 ARG A 72 53.730 36.452 22.024 1.00 0.00 H new ATOM 0 HD3 ARG A 72 53.041 38.061 22.109 1.00 0.00 H new ATOM 0 HE ARG A 72 54.787 38.146 19.930 1.00 0.00 H new ATOM 0 HH11 ARG A 72 51.815 36.326 20.801 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.406 36.038 19.107 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.212 37.688 17.794 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.730 36.791 17.444 1.00 0.00 H new ATOM 1174 N LEU A 73 58.366 38.366 23.201 1.00 0.00 N ATOM 1175 CA LEU A 73 59.558 37.628 22.831 1.00 0.00 C ATOM 1176 C LEU A 73 59.358 36.808 21.555 1.00 0.00 C ATOM 1177 O LEU A 73 58.229 36.580 21.128 1.00 0.00 O ATOM 1178 CB LEU A 73 59.945 36.772 24.033 1.00 0.00 C ATOM 1179 CG LEU A 73 61.389 36.285 24.099 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.376 37.436 24.270 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.553 35.341 25.286 1.00 0.00 C ATOM 0 H LEU A 73 57.888 37.944 23.997 1.00 0.00 H new ATOM 0 HA LEU A 73 60.371 38.312 22.588 1.00 0.00 H new ATOM 0 HB2 LEU A 73 59.739 37.345 24.937 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.292 35.900 24.052 1.00 0.00 H new ATOM 0 HG LEU A 73 61.603 35.779 23.157 1.00 0.00 H new ATOM 0 HD11 LEU A 73 63.391 37.042 24.312 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.287 38.120 23.426 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.156 37.970 25.194 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.585 34.992 25.334 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.305 35.868 26.207 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.887 34.487 25.166 1.00 0.00 H new ATOM 1193 N ARG A 74 60.443 36.343 20.940 1.00 0.00 N ATOM 1194 CA ARG A 74 60.466 35.579 19.708 1.00 0.00 C ATOM 1195 C ARG A 74 59.742 36.252 18.541 1.00 0.00 C ATOM 1196 O ARG A 74 59.092 35.598 17.729 1.00 0.00 O ATOM 1197 CB ARG A 74 60.070 34.125 19.947 1.00 0.00 C ATOM 1198 CG ARG A 74 60.933 33.354 20.942 1.00 0.00 C ATOM 1199 CD ARG A 74 62.364 33.121 20.467 1.00 0.00 C ATOM 1200 NE ARG A 74 63.169 32.441 21.483 1.00 0.00 N ATOM 1201 CZ ARG A 74 63.555 31.158 21.530 1.00 0.00 C ATOM 1202 NH1 ARG A 74 63.226 30.257 20.595 1.00 0.00 N ATOM 1203 NH2 ARG A 74 64.299 30.710 22.550 1.00 0.00 N ATOM 0 H ARG A 74 61.379 36.501 21.314 1.00 0.00 H new ATOM 0 HA ARG A 74 61.502 35.560 19.371 1.00 0.00 H new ATOM 0 HB2 ARG A 74 59.038 34.103 20.297 1.00 0.00 H new ATOM 0 HB3 ARG A 74 60.094 33.600 18.992 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.958 33.899 21.886 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.466 32.390 21.143 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.352 32.525 19.554 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.825 34.077 20.218 1.00 0.00 H new ATOM 0 HE ARG A 74 63.479 33.023 22.262 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.654 30.535 19.797 1.00 0.00 H new ATOM 0 HH12 ARG A 74 63.547 29.293 20.681 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.576 31.346 23.298 1.00 0.00 H new ATOM 0 HH22 ARG A 74 64.589 29.733 22.579 1.00 0.00 H new ATOM 1217 N GLY A 75 59.854 37.574 18.450 1.00 0.00 N ATOM 1218 CA GLY A 75 59.268 38.377 17.396 1.00 0.00 C ATOM 1219 C GLY A 75 59.864 39.768 17.169 1.00 0.00 C ATOM 1220 O GLY A 75 59.626 40.354 16.116 1.00 0.00 O ATOM 0 H GLY A 75 60.372 38.128 19.132 1.00 0.00 H new ATOM 0 HA2 GLY A 75 59.345 37.819 16.463 1.00 0.00 H new ATOM 0 HA3 GLY A 75 58.206 38.495 17.611 1.00 0.00 H new ATOM 1224 N GLY A 76 60.648 40.302 18.101 1.00 0.00 N ATOM 1225 CA GLY A 76 61.311 41.587 18.019 1.00 0.00 C ATOM 1226 C GLY A 76 62.401 41.744 19.081 1.00 0.00 C ATOM 1227 O GLY A 76 62.190 42.522 20.037 1.00 0.00 O ATOM 1228 OXT GLY A 76 63.442 41.062 18.964 1.00 0.00 O ATOM 0 H GLY A 76 60.844 39.819 18.978 1.00 0.00 H new ATOM 0 HA2 GLY A 76 61.751 41.704 17.029 1.00 0.00 H new ATOM 0 HA3 GLY A 76 60.575 42.382 18.136 1.00 0.00 H new TER 1232 GLY A 76