USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -81:sc= 2.32 USER MOD Set 1.2: A 57 SER OG : rot 37:sc= 0.751 USER MOD Set 2.1: A 22 THR OG1 : rot -45:sc= 0.923 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.12 K(o=2,f=-4.1!) USER MOD Set 3.1: A 7 THR OG1 : rot -75:sc= 1.07 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -134:sc= 1.07 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 120:sc= 0.986 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 2.52 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= -0.0715 K(o=-0.072,f=-1.9!) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 1.1 (180deg=0.85) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -97:sc= 1.2 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.23 (180deg=0.977) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0.853 (180deg=0.661) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0.125) USER MOD Single : A 40 GLN : amide:sc= -0.0784 K(o=-0.078,f=-0.86) USER MOD Single : A 41 GLN : amide:sc= 1.07 K(o=1.1,f=-0.38) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.41 K(o=1.4,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.244 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.313 K(o=0.31,f=-8.1!) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.05) USER MOD Single : A 65 SER OG : rot 105:sc= 1.18 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.180 31.288 15.491 1.00 0.00 N ATOM 2 CA MET A 1 13.931 31.519 16.922 1.00 0.00 C ATOM 3 C MET A 1 15.320 31.812 17.504 1.00 0.00 C ATOM 4 O MET A 1 16.347 31.629 16.856 1.00 0.00 O ATOM 5 CB MET A 1 13.404 30.247 17.588 1.00 0.00 C ATOM 6 CG MET A 1 14.388 29.130 17.926 1.00 0.00 C ATOM 7 SD MET A 1 13.596 27.666 18.621 1.00 0.00 S ATOM 8 CE MET A 1 15.116 26.943 19.298 1.00 0.00 C ATOM 0 H1 MET A 1 13.463 30.635 15.115 1.00 0.00 H new ATOM 0 H2 MET A 1 14.128 32.192 14.979 1.00 0.00 H new ATOM 0 H3 MET A 1 15.125 30.873 15.366 1.00 0.00 H new ATOM 0 HA MET A 1 13.203 32.315 17.080 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.908 30.541 18.513 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.639 29.826 16.936 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.930 28.847 17.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.125 29.507 18.635 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.881 26.001 19.793 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.824 26.761 18.489 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.557 27.632 20.019 1.00 0.00 H new ATOM 20 N GLN A 2 15.308 32.414 18.685 1.00 0.00 N ATOM 21 CA GLN A 2 16.488 32.987 19.318 1.00 0.00 C ATOM 22 C GLN A 2 16.800 32.185 20.578 1.00 0.00 C ATOM 23 O GLN A 2 15.950 31.818 21.391 1.00 0.00 O ATOM 24 CB GLN A 2 16.238 34.434 19.727 1.00 0.00 C ATOM 25 CG GLN A 2 16.326 35.459 18.598 1.00 0.00 C ATOM 26 CD GLN A 2 16.231 36.857 19.202 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.471 37.047 20.387 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.792 37.848 18.423 1.00 0.00 N ATOM 0 H GLN A 2 14.460 32.520 19.242 1.00 0.00 H new ATOM 0 HA GLN A 2 17.315 32.954 18.609 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.248 34.500 20.178 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.959 34.705 20.498 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.264 35.344 18.055 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.521 35.301 17.880 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.597 37.673 17.437 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.652 38.780 18.813 1.00 0.00 H new ATOM 37 N ILE A 3 18.098 31.975 20.785 1.00 0.00 N ATOM 38 CA ILE A 3 18.569 31.381 22.015 1.00 0.00 C ATOM 39 C ILE A 3 19.909 32.103 22.176 1.00 0.00 C ATOM 40 O ILE A 3 20.599 32.599 21.281 1.00 0.00 O ATOM 41 CB ILE A 3 18.723 29.867 21.947 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.597 29.316 20.814 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.359 29.185 21.951 1.00 0.00 C ATOM 44 CD1 ILE A 3 19.833 27.798 20.796 1.00 0.00 C ATOM 0 H ILE A 3 18.832 32.209 20.116 1.00 0.00 H new ATOM 0 HA ILE A 3 17.881 31.499 22.852 1.00 0.00 H new ATOM 0 HB ILE A 3 19.280 29.622 22.852 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.142 29.600 19.865 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.567 29.810 20.863 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.492 28.104 21.902 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.826 29.444 22.866 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.783 29.519 21.088 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.465 27.538 19.947 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.324 27.495 21.721 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.877 27.282 20.708 1.00 0.00 H new ATOM 56 N PHE A 4 20.272 32.006 23.456 1.00 0.00 N ATOM 57 CA PHE A 4 21.423 32.709 23.975 1.00 0.00 C ATOM 58 C PHE A 4 22.504 31.631 24.155 1.00 0.00 C ATOM 59 O PHE A 4 22.367 30.578 24.773 1.00 0.00 O ATOM 60 CB PHE A 4 21.299 33.125 25.448 1.00 0.00 C ATOM 61 CG PHE A 4 20.400 34.301 25.757 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.549 35.572 25.201 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.361 34.031 26.663 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.526 36.499 25.407 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.372 35.001 26.884 1.00 0.00 C ATOM 66 CZ PHE A 4 18.484 36.269 26.308 1.00 0.00 C ATOM 0 H PHE A 4 19.776 31.442 24.147 1.00 0.00 H new ATOM 0 HA PHE A 4 21.584 33.558 23.311 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.938 32.266 26.013 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.297 33.355 25.820 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.428 35.830 24.629 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.324 33.086 27.184 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.541 37.425 24.851 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.519 34.766 27.503 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.782 37.052 26.554 1.00 0.00 H new ATOM 76 N VAL A 5 23.702 31.979 23.708 1.00 0.00 N ATOM 77 CA VAL A 5 24.908 31.239 24.022 1.00 0.00 C ATOM 78 C VAL A 5 25.709 32.068 25.036 1.00 0.00 C ATOM 79 O VAL A 5 25.932 33.257 24.806 1.00 0.00 O ATOM 80 CB VAL A 5 25.626 30.876 22.723 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.116 30.549 22.834 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.778 29.755 22.126 1.00 0.00 C ATOM 0 H VAL A 5 23.862 32.791 23.112 1.00 0.00 H new ATOM 0 HA VAL A 5 24.720 30.279 24.502 1.00 0.00 H new ATOM 0 HB VAL A 5 25.689 31.747 22.071 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.510 30.308 21.847 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.649 31.410 23.237 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.253 29.695 23.498 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.219 29.427 21.184 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.742 28.916 22.821 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.767 30.120 21.946 1.00 0.00 H new ATOM 92 N LYS A 6 26.192 31.489 26.126 1.00 0.00 N ATOM 93 CA LYS A 6 27.284 32.014 26.929 1.00 0.00 C ATOM 94 C LYS A 6 28.516 31.482 26.190 1.00 0.00 C ATOM 95 O LYS A 6 28.659 30.262 26.116 1.00 0.00 O ATOM 96 CB LYS A 6 27.368 31.489 28.358 1.00 0.00 C ATOM 97 CG LYS A 6 26.319 31.863 29.398 1.00 0.00 C ATOM 98 CD LYS A 6 25.635 33.207 29.126 1.00 0.00 C ATOM 99 CE LYS A 6 24.979 33.797 30.365 1.00 0.00 C ATOM 100 NZ LYS A 6 24.264 35.062 30.128 1.00 0.00 N ATOM 0 H LYS A 6 25.821 30.610 26.487 1.00 0.00 H new ATOM 0 HA LYS A 6 27.173 33.094 27.029 1.00 0.00 H new ATOM 0 HB2 LYS A 6 27.382 30.401 28.297 1.00 0.00 H new ATOM 0 HB3 LYS A 6 28.335 31.799 28.755 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.561 31.080 29.435 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.790 31.897 30.380 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.371 33.912 28.740 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.881 33.075 28.350 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.279 33.068 30.773 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.744 33.962 31.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.512 35.746 30.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.535 35.445 29.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.239 34.890 30.145 1.00 0.00 H new ATOM 114 N THR A 7 29.433 32.348 25.767 1.00 0.00 N ATOM 115 CA THR A 7 30.685 32.056 25.095 1.00 0.00 C ATOM 116 C THR A 7 31.842 31.618 25.984 1.00 0.00 C ATOM 117 O THR A 7 31.761 31.719 27.209 1.00 0.00 O ATOM 118 CB THR A 7 31.140 33.350 24.415 1.00 0.00 C ATOM 119 OG1 THR A 7 31.536 34.324 25.365 1.00 0.00 O ATOM 120 CG2 THR A 7 30.176 33.978 23.408 1.00 0.00 C ATOM 0 H THR A 7 29.304 33.351 25.899 1.00 0.00 H new ATOM 0 HA THR A 7 30.471 31.219 24.430 1.00 0.00 H new ATOM 0 HB THR A 7 31.989 33.019 23.818 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.741 34.706 25.793 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.618 34.887 23.000 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.984 33.273 22.599 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.238 34.222 23.906 1.00 0.00 H new ATOM 128 N LEU A 8 32.911 31.110 25.397 1.00 0.00 N ATOM 129 CA LEU A 8 34.205 30.668 25.894 1.00 0.00 C ATOM 130 C LEU A 8 35.012 31.774 26.583 1.00 0.00 C ATOM 131 O LEU A 8 36.079 31.596 27.176 1.00 0.00 O ATOM 132 CB LEU A 8 34.921 29.869 24.807 1.00 0.00 C ATOM 133 CG LEU A 8 35.751 30.658 23.795 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.480 29.694 22.855 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.943 31.546 22.837 1.00 0.00 C ATOM 0 H LEU A 8 32.883 30.976 24.386 1.00 0.00 H new ATOM 0 HA LEU A 8 34.059 29.977 26.724 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.578 29.148 25.294 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.172 29.298 24.258 1.00 0.00 H new ATOM 0 HG LEU A 8 36.396 31.275 24.421 1.00 0.00 H new ATOM 0 HD11 LEU A 8 37.070 30.263 22.136 1.00 0.00 H new ATOM 0 HD12 LEU A 8 37.139 29.049 23.435 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.751 29.083 22.323 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.623 32.063 22.160 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.256 30.927 22.259 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.376 32.279 23.411 1.00 0.00 H new ATOM 147 N THR A 9 34.640 33.049 26.508 1.00 0.00 N ATOM 148 CA THR A 9 35.311 34.197 27.099 1.00 0.00 C ATOM 149 C THR A 9 34.495 35.067 28.059 1.00 0.00 C ATOM 150 O THR A 9 34.963 36.110 28.508 1.00 0.00 O ATOM 151 CB THR A 9 36.015 35.026 26.034 1.00 0.00 C ATOM 152 OG1 THR A 9 35.175 35.461 24.988 1.00 0.00 O ATOM 153 CG2 THR A 9 37.125 34.196 25.383 1.00 0.00 C ATOM 0 H THR A 9 33.802 33.324 25.996 1.00 0.00 H new ATOM 0 HA THR A 9 36.049 33.747 27.764 1.00 0.00 H new ATOM 0 HB THR A 9 36.391 35.903 26.561 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.697 35.987 24.346 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.627 34.793 24.621 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.847 33.895 26.142 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.693 33.308 24.922 1.00 0.00 H new ATOM 161 N GLY A 10 33.263 34.616 28.268 1.00 0.00 N ATOM 162 CA GLY A 10 32.360 35.050 29.317 1.00 0.00 C ATOM 163 C GLY A 10 31.118 35.845 28.909 1.00 0.00 C ATOM 164 O GLY A 10 30.191 36.006 29.711 1.00 0.00 O ATOM 0 H GLY A 10 32.849 33.898 27.674 1.00 0.00 H new ATOM 0 HA2 GLY A 10 32.027 34.165 29.859 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.931 35.658 30.019 1.00 0.00 H new ATOM 168 N LYS A 11 31.027 36.359 27.683 1.00 0.00 N ATOM 169 CA LYS A 11 29.945 37.139 27.134 1.00 0.00 C ATOM 170 C LYS A 11 28.820 36.224 26.645 1.00 0.00 C ATOM 171 O LYS A 11 29.049 35.060 26.319 1.00 0.00 O ATOM 172 CB LYS A 11 30.365 38.078 25.997 1.00 0.00 C ATOM 173 CG LYS A 11 30.731 37.492 24.630 1.00 0.00 C ATOM 174 CD LYS A 11 31.251 38.659 23.783 1.00 0.00 C ATOM 175 CE LYS A 11 31.437 38.167 22.345 1.00 0.00 C ATOM 176 NZ LYS A 11 32.160 39.130 21.487 1.00 0.00 N ATOM 0 H LYS A 11 31.774 36.223 27.002 1.00 0.00 H new ATOM 0 HA LYS A 11 29.598 37.771 27.951 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.551 38.786 25.841 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.224 38.651 26.347 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.491 36.717 24.731 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.863 37.029 24.161 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.547 39.491 23.811 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.196 39.027 24.183 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.982 37.223 22.359 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.459 37.964 21.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.447 38.661 20.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.538 39.933 21.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.005 39.474 21.987 1.00 0.00 H new ATOM 190 N THR A 12 27.678 36.847 26.372 1.00 0.00 N ATOM 191 CA THR A 12 26.410 36.304 25.919 1.00 0.00 C ATOM 192 C THR A 12 26.234 36.817 24.488 1.00 0.00 C ATOM 193 O THR A 12 26.214 38.044 24.352 1.00 0.00 O ATOM 194 CB THR A 12 25.286 36.739 26.856 1.00 0.00 C ATOM 195 OG1 THR A 12 25.470 36.191 28.140 1.00 0.00 O ATOM 196 CG2 THR A 12 23.840 36.387 26.491 1.00 0.00 C ATOM 0 H THR A 12 27.617 37.860 26.476 1.00 0.00 H new ATOM 0 HA THR A 12 26.386 35.214 25.929 1.00 0.00 H new ATOM 0 HB THR A 12 25.378 37.823 26.784 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.555 36.915 28.795 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.168 36.768 27.260 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.587 36.838 25.531 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.735 35.304 26.422 1.00 0.00 H new ATOM 204 N ILE A 13 26.097 35.954 23.487 1.00 0.00 N ATOM 205 CA ILE A 13 25.610 36.192 22.145 1.00 0.00 C ATOM 206 C ILE A 13 24.189 35.624 22.161 1.00 0.00 C ATOM 207 O ILE A 13 23.836 34.693 22.891 1.00 0.00 O ATOM 208 CB ILE A 13 26.628 35.776 21.083 1.00 0.00 C ATOM 209 CG1 ILE A 13 26.884 34.265 21.019 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.935 36.536 21.232 1.00 0.00 C ATOM 211 CD1 ILE A 13 27.505 33.715 19.735 1.00 0.00 C ATOM 0 H ILE A 13 26.351 34.975 23.615 1.00 0.00 H new ATOM 0 HA ILE A 13 25.515 37.232 21.832 1.00 0.00 H new ATOM 0 HB ILE A 13 26.170 36.046 20.131 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.536 33.997 21.851 1.00 0.00 H new ATOM 0 HG13 ILE A 13 25.935 33.754 21.181 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.634 36.213 20.460 1.00 0.00 H new ATOM 0 HG22 ILE A 13 27.748 37.605 21.129 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.362 36.336 22.215 1.00 0.00 H new ATOM 0 HD11 ILE A 13 27.631 32.636 19.825 1.00 0.00 H new ATOM 0 HD12 ILE A 13 26.851 33.935 18.891 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.477 34.181 19.572 1.00 0.00 H new ATOM 223 N THR A 14 23.308 36.269 21.402 1.00 0.00 N ATOM 224 CA THR A 14 22.144 35.753 20.719 1.00 0.00 C ATOM 225 C THR A 14 22.564 35.043 19.441 1.00 0.00 C ATOM 226 O THR A 14 23.568 35.421 18.840 1.00 0.00 O ATOM 227 CB THR A 14 21.332 37.005 20.375 1.00 0.00 C ATOM 228 OG1 THR A 14 20.780 37.587 21.534 1.00 0.00 O ATOM 229 CG2 THR A 14 20.072 36.638 19.595 1.00 0.00 C ATOM 0 H THR A 14 23.410 37.271 21.239 1.00 0.00 H new ATOM 0 HA THR A 14 21.585 35.035 21.319 1.00 0.00 H new ATOM 0 HB THR A 14 22.023 37.654 19.836 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.268 38.385 21.287 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.512 37.543 19.362 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.351 36.135 18.669 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.453 35.973 20.196 1.00 0.00 H new ATOM 237 N LEU A 15 21.796 34.075 18.954 1.00 0.00 N ATOM 238 CA LEU A 15 21.911 33.628 17.578 1.00 0.00 C ATOM 239 C LEU A 15 20.496 33.225 17.152 1.00 0.00 C ATOM 240 O LEU A 15 19.585 32.837 17.886 1.00 0.00 O ATOM 241 CB LEU A 15 22.951 32.535 17.333 1.00 0.00 C ATOM 242 CG LEU A 15 23.332 31.398 18.286 1.00 0.00 C ATOM 243 CD1 LEU A 15 22.276 30.292 18.285 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.680 30.822 17.858 1.00 0.00 C ATOM 0 H LEU A 15 21.085 33.585 19.497 1.00 0.00 H new ATOM 0 HA LEU A 15 22.301 34.438 16.962 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.646 32.047 16.407 1.00 0.00 H new ATOM 0 HB3 LEU A 15 23.882 33.062 17.124 1.00 0.00 H new ATOM 0 HG LEU A 15 23.395 31.799 19.298 1.00 0.00 H new ATOM 0 HD11 LEU A 15 22.577 29.501 18.972 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.318 30.703 18.603 1.00 0.00 H new ATOM 0 HD13 LEU A 15 22.179 29.882 17.280 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.960 30.012 18.531 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.605 30.439 16.840 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.439 31.604 17.897 1.00 0.00 H new ATOM 256 N GLU A 16 20.321 33.199 15.837 1.00 0.00 N ATOM 257 CA GLU A 16 19.046 33.034 15.152 1.00 0.00 C ATOM 258 C GLU A 16 19.150 31.775 14.279 1.00 0.00 C ATOM 259 O GLU A 16 19.879 31.614 13.308 1.00 0.00 O ATOM 260 CB GLU A 16 18.544 34.239 14.367 1.00 0.00 C ATOM 261 CG GLU A 16 17.095 34.651 14.689 1.00 0.00 C ATOM 262 CD GLU A 16 16.029 33.971 13.851 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.181 33.921 12.607 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.013 33.494 14.415 1.00 0.00 O ATOM 0 H GLU A 16 21.102 33.297 15.188 1.00 0.00 H new ATOM 0 HA GLU A 16 18.279 32.928 15.919 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.202 35.085 14.565 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.618 34.020 13.302 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.899 34.439 15.740 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.003 35.729 14.559 1.00 0.00 H new ATOM 271 N VAL A 17 18.392 30.745 14.635 1.00 0.00 N ATOM 272 CA VAL A 17 18.337 29.390 14.116 1.00 0.00 C ATOM 273 C VAL A 17 16.861 28.986 14.027 1.00 0.00 C ATOM 274 O VAL A 17 16.025 29.489 14.769 1.00 0.00 O ATOM 275 CB VAL A 17 19.235 28.522 14.994 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.682 28.998 14.828 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.755 28.456 16.448 1.00 0.00 C ATOM 0 H VAL A 17 17.717 30.859 15.391 1.00 0.00 H new ATOM 0 HA VAL A 17 18.727 29.273 13.105 1.00 0.00 H new ATOM 0 HB VAL A 17 19.182 27.484 14.665 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.339 28.389 15.449 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.979 28.903 13.783 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.759 30.041 15.134 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.431 27.826 17.026 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.743 29.460 16.873 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.750 28.036 16.481 1.00 0.00 H new ATOM 287 N GLU A 18 16.512 27.914 13.312 1.00 0.00 N ATOM 288 CA GLU A 18 15.273 27.189 13.421 1.00 0.00 C ATOM 289 C GLU A 18 15.533 25.892 14.181 1.00 0.00 C ATOM 290 O GLU A 18 16.656 25.419 14.035 1.00 0.00 O ATOM 291 CB GLU A 18 14.948 26.873 11.962 1.00 0.00 C ATOM 292 CG GLU A 18 13.507 27.172 11.579 1.00 0.00 C ATOM 293 CD GLU A 18 12.617 26.014 12.022 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.071 24.883 12.290 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.430 26.350 12.239 1.00 0.00 O ATOM 0 H GLU A 18 17.131 27.517 12.605 1.00 0.00 H new ATOM 0 HA GLU A 18 14.478 27.726 13.938 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.613 27.448 11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.154 25.819 11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.178 28.099 12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.427 27.316 10.501 1.00 0.00 H new ATOM 302 N PRO A 19 14.625 25.298 14.952 1.00 0.00 N ATOM 303 CA PRO A 19 14.820 24.048 15.662 1.00 0.00 C ATOM 304 C PRO A 19 15.287 22.889 14.781 1.00 0.00 C ATOM 305 O PRO A 19 15.989 21.979 15.206 1.00 0.00 O ATOM 306 CB PRO A 19 13.446 23.628 16.183 1.00 0.00 C ATOM 307 CG PRO A 19 12.717 24.957 16.406 1.00 0.00 C ATOM 308 CD PRO A 19 13.350 25.857 15.343 1.00 0.00 C ATOM 0 HA PRO A 19 15.582 24.227 16.421 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.921 22.999 15.464 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.527 23.056 17.107 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.640 24.859 16.267 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.875 25.344 17.413 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.693 25.937 14.477 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.485 26.865 15.735 1.00 0.00 H new ATOM 316 N SER A 20 15.078 23.061 13.474 1.00 0.00 N ATOM 317 CA SER A 20 15.645 22.149 12.493 1.00 0.00 C ATOM 318 C SER A 20 17.127 22.264 12.132 1.00 0.00 C ATOM 319 O SER A 20 17.654 21.412 11.419 1.00 0.00 O ATOM 320 CB SER A 20 14.752 22.353 11.261 1.00 0.00 C ATOM 321 OG SER A 20 14.745 23.611 10.626 1.00 0.00 O ATOM 0 H SER A 20 14.523 23.820 13.078 1.00 0.00 H new ATOM 0 HA SER A 20 15.648 21.150 12.929 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.041 21.610 10.518 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.727 22.127 11.556 1.00 0.00 H new ATOM 0 HG SER A 20 13.985 24.137 10.951 1.00 0.00 H new ATOM 327 N ASP A 21 17.757 23.313 12.639 1.00 0.00 N ATOM 328 CA ASP A 21 19.206 23.403 12.682 1.00 0.00 C ATOM 329 C ASP A 21 19.795 22.266 13.506 1.00 0.00 C ATOM 330 O ASP A 21 19.498 22.079 14.686 1.00 0.00 O ATOM 331 CB ASP A 21 19.563 24.772 13.271 1.00 0.00 C ATOM 332 CG ASP A 21 19.518 25.873 12.225 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.397 26.249 11.811 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.591 26.425 11.900 1.00 0.00 O ATOM 0 H ASP A 21 17.278 24.124 13.031 1.00 0.00 H new ATOM 0 HA ASP A 21 19.628 23.308 11.681 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.870 25.011 14.078 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.560 24.729 13.709 1.00 0.00 H new ATOM 339 N THR A 22 20.741 21.527 12.934 1.00 0.00 N ATOM 340 CA THR A 22 21.449 20.577 13.779 1.00 0.00 C ATOM 341 C THR A 22 22.661 21.268 14.393 1.00 0.00 C ATOM 342 O THR A 22 23.112 22.240 13.795 1.00 0.00 O ATOM 343 CB THR A 22 21.918 19.488 12.815 1.00 0.00 C ATOM 344 OG1 THR A 22 22.818 19.852 11.796 1.00 0.00 O ATOM 345 CG2 THR A 22 20.783 18.723 12.126 1.00 0.00 C ATOM 0 H THR A 22 21.021 21.561 11.954 1.00 0.00 H new ATOM 0 HA THR A 22 20.833 20.183 14.588 1.00 0.00 H new ATOM 0 HB THR A 22 22.456 18.866 13.530 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.523 20.690 11.383 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.204 17.970 11.460 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.163 18.236 12.879 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.174 19.418 11.549 1.00 0.00 H new ATOM 353 N ILE A 23 23.231 20.664 15.438 1.00 0.00 N ATOM 354 CA ILE A 23 24.450 21.003 16.142 1.00 0.00 C ATOM 355 C ILE A 23 25.539 21.574 15.234 1.00 0.00 C ATOM 356 O ILE A 23 26.051 22.603 15.681 1.00 0.00 O ATOM 357 CB ILE A 23 24.871 19.908 17.131 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.022 19.841 18.396 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.335 19.851 17.561 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.509 20.025 18.364 1.00 0.00 C ATOM 0 H ILE A 23 22.795 19.838 15.848 1.00 0.00 H new ATOM 0 HA ILE A 23 24.235 21.854 16.788 1.00 0.00 H new ATOM 0 HB ILE A 23 24.696 19.042 16.492 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.211 18.868 18.850 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.416 20.594 19.079 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.477 19.027 18.260 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.966 19.697 16.685 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.609 20.788 18.045 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.110 19.938 19.375 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.271 21.010 17.963 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.063 19.258 17.731 1.00 0.00 H new ATOM 372 N GLU A 24 25.918 20.954 14.124 1.00 0.00 N ATOM 373 CA GLU A 24 26.929 21.338 13.154 1.00 0.00 C ATOM 374 C GLU A 24 26.600 22.600 12.353 1.00 0.00 C ATOM 375 O GLU A 24 27.513 23.312 11.930 1.00 0.00 O ATOM 376 CB GLU A 24 27.398 20.146 12.321 1.00 0.00 C ATOM 377 CG GLU A 24 28.896 20.132 12.041 1.00 0.00 C ATOM 378 CD GLU A 24 29.729 19.701 13.240 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.409 18.788 14.041 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.813 20.287 13.408 1.00 0.00 O ATOM 0 H GLU A 24 25.475 20.075 13.855 1.00 0.00 H new ATOM 0 HA GLU A 24 27.798 21.654 13.731 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.128 19.226 12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.862 20.147 11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 24 29.096 19.459 11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.210 21.128 11.729 1.00 0.00 H new ATOM 387 N ASN A 25 25.317 22.934 12.238 1.00 0.00 N ATOM 388 CA ASN A 25 24.915 24.245 11.757 1.00 0.00 C ATOM 389 C ASN A 25 25.097 25.411 12.735 1.00 0.00 C ATOM 390 O ASN A 25 25.535 26.491 12.355 1.00 0.00 O ATOM 391 CB ASN A 25 23.485 24.206 11.229 1.00 0.00 C ATOM 392 CG ASN A 25 23.227 23.117 10.192 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.427 22.207 10.409 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.864 23.246 9.041 1.00 0.00 N ATOM 0 H ASN A 25 24.542 22.313 12.472 1.00 0.00 H new ATOM 0 HA ASN A 25 25.617 24.461 10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.804 24.061 12.068 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.246 25.174 10.789 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.701 22.576 8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.519 24.016 8.904 1.00 0.00 H new ATOM 401 N VAL A 26 24.812 25.255 14.025 1.00 0.00 N ATOM 402 CA VAL A 26 24.906 26.341 14.973 1.00 0.00 C ATOM 403 C VAL A 26 26.391 26.660 15.105 1.00 0.00 C ATOM 404 O VAL A 26 26.748 27.834 15.100 1.00 0.00 O ATOM 405 CB VAL A 26 24.244 26.007 16.319 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.037 27.183 17.271 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.977 25.176 16.119 1.00 0.00 C ATOM 0 H VAL A 26 24.511 24.370 14.434 1.00 0.00 H new ATOM 0 HA VAL A 26 24.357 27.214 14.621 1.00 0.00 H new ATOM 0 HB VAL A 26 24.978 25.397 16.846 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.563 26.830 18.187 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.001 27.631 17.510 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.399 27.928 16.796 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.530 24.955 17.088 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.266 25.736 15.511 1.00 0.00 H new ATOM 0 HG23 VAL A 26 23.229 24.243 15.615 1.00 0.00 H new ATOM 417 N LYS A 27 27.258 25.647 15.151 1.00 0.00 N ATOM 418 CA LYS A 27 28.709 25.673 15.134 1.00 0.00 C ATOM 419 C LYS A 27 29.401 26.613 14.152 1.00 0.00 C ATOM 420 O LYS A 27 30.233 27.465 14.473 1.00 0.00 O ATOM 421 CB LYS A 27 29.246 24.250 14.979 1.00 0.00 C ATOM 422 CG LYS A 27 29.235 23.499 16.306 1.00 0.00 C ATOM 423 CD LYS A 27 29.695 22.042 16.192 1.00 0.00 C ATOM 424 CE LYS A 27 31.193 21.775 16.323 1.00 0.00 C ATOM 425 NZ LYS A 27 31.578 20.417 15.915 1.00 0.00 N ATOM 0 H LYS A 27 26.916 24.688 15.207 1.00 0.00 H new ATOM 0 HA LYS A 27 28.965 26.110 16.099 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.642 23.710 14.250 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.263 24.285 14.588 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.880 24.020 17.014 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.226 23.521 16.718 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.180 21.463 16.958 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.366 21.657 15.227 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.738 22.498 15.716 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.495 21.935 17.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.567 20.241 16.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.963 19.725 16.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.477 20.322 14.884 1.00 0.00 H new ATOM 439 N ALA A 28 28.876 26.561 12.930 1.00 0.00 N ATOM 440 CA ALA A 28 29.300 27.321 11.770 1.00 0.00 C ATOM 441 C ALA A 28 28.765 28.760 11.865 1.00 0.00 C ATOM 442 O ALA A 28 29.428 29.733 11.543 1.00 0.00 O ATOM 443 CB ALA A 28 28.687 26.584 10.584 1.00 0.00 C ATOM 0 H ALA A 28 28.092 25.945 12.716 1.00 0.00 H new ATOM 0 HA ALA A 28 30.384 27.396 11.683 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.958 27.093 9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.062 25.561 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.602 26.570 10.686 1.00 0.00 H new ATOM 449 N LYS A 29 27.547 28.921 12.373 1.00 0.00 N ATOM 450 CA LYS A 29 26.853 30.172 12.615 1.00 0.00 C ATOM 451 C LYS A 29 27.610 31.048 13.614 1.00 0.00 C ATOM 452 O LYS A 29 27.833 32.248 13.468 1.00 0.00 O ATOM 453 CB LYS A 29 25.342 30.002 12.775 1.00 0.00 C ATOM 454 CG LYS A 29 24.776 29.561 11.431 1.00 0.00 C ATOM 455 CD LYS A 29 23.318 29.104 11.504 1.00 0.00 C ATOM 456 CE LYS A 29 22.888 28.294 10.278 1.00 0.00 C ATOM 457 NZ LYS A 29 21.447 28.022 10.245 1.00 0.00 N ATOM 0 H LYS A 29 26.981 28.117 12.645 1.00 0.00 H new ATOM 0 HA LYS A 29 26.876 30.783 11.713 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.121 29.262 13.544 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.884 30.939 13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.855 30.387 10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.385 28.746 11.039 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.176 28.501 12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.673 29.977 11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.170 28.835 9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.431 27.349 10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.229 27.401 9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.161 27.556 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.927 28.917 10.142 1.00 0.00 H new ATOM 471 N ILE A 30 28.066 30.358 14.652 1.00 0.00 N ATOM 472 CA ILE A 30 28.914 30.823 15.723 1.00 0.00 C ATOM 473 C ILE A 30 30.226 31.296 15.091 1.00 0.00 C ATOM 474 O ILE A 30 30.629 32.446 15.290 1.00 0.00 O ATOM 475 CB ILE A 30 29.041 29.806 16.861 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.750 29.624 17.659 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.133 30.232 17.837 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.822 28.498 18.688 1.00 0.00 C ATOM 0 H ILE A 30 27.826 29.373 14.768 1.00 0.00 H new ATOM 0 HA ILE A 30 28.472 31.674 16.241 1.00 0.00 H new ATOM 0 HB ILE A 30 29.284 28.859 16.380 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.514 30.557 18.170 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.931 29.422 16.969 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.210 29.498 18.640 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.086 30.296 17.311 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.885 31.206 18.258 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.871 28.427 19.216 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.027 27.555 18.182 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.619 28.708 19.402 1.00 0.00 H new ATOM 490 N GLN A 31 30.944 30.521 14.276 1.00 0.00 N ATOM 491 CA GLN A 31 32.011 30.982 13.421 1.00 0.00 C ATOM 492 C GLN A 31 31.693 32.212 12.546 1.00 0.00 C ATOM 493 O GLN A 31 32.471 33.161 12.619 1.00 0.00 O ATOM 494 CB GLN A 31 32.507 29.791 12.605 1.00 0.00 C ATOM 495 CG GLN A 31 33.821 30.119 11.903 1.00 0.00 C ATOM 496 CD GLN A 31 34.362 28.989 11.043 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.583 28.367 10.319 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.662 28.724 11.098 1.00 0.00 N ATOM 0 H GLN A 31 30.782 29.517 14.199 1.00 0.00 H new ATOM 0 HA GLN A 31 32.800 31.366 14.068 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.645 28.930 13.259 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.755 29.513 11.866 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.677 31.000 11.278 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.567 30.379 12.654 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.268 29.267 11.713 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.055 27.977 10.525 1.00 0.00 H new ATOM 507 N ASP A 32 30.579 32.253 11.832 1.00 0.00 N ATOM 508 CA ASP A 32 30.225 33.346 10.952 1.00 0.00 C ATOM 509 C ASP A 32 30.141 34.658 11.722 1.00 0.00 C ATOM 510 O ASP A 32 30.570 35.664 11.155 1.00 0.00 O ATOM 511 CB ASP A 32 28.931 33.032 10.202 1.00 0.00 C ATOM 512 CG ASP A 32 28.457 34.108 9.230 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.069 34.216 8.154 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.526 34.872 9.561 1.00 0.00 O ATOM 0 H ASP A 32 29.883 31.508 11.852 1.00 0.00 H new ATOM 0 HA ASP A 32 31.012 33.465 10.207 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.069 32.103 9.649 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.142 32.854 10.933 1.00 0.00 H new ATOM 519 N LYS A 33 29.732 34.742 12.984 1.00 0.00 N ATOM 520 CA LYS A 33 29.484 35.941 13.755 1.00 0.00 C ATOM 521 C LYS A 33 30.730 36.219 14.592 1.00 0.00 C ATOM 522 O LYS A 33 31.202 37.355 14.516 1.00 0.00 O ATOM 523 CB LYS A 33 28.308 35.639 14.688 1.00 0.00 C ATOM 524 CG LYS A 33 26.956 35.954 14.058 1.00 0.00 C ATOM 525 CD LYS A 33 26.621 35.397 12.669 1.00 0.00 C ATOM 526 CE LYS A 33 25.302 35.923 12.105 1.00 0.00 C ATOM 527 NZ LYS A 33 25.245 35.507 10.694 1.00 0.00 N ATOM 0 H LYS A 33 29.553 33.901 13.532 1.00 0.00 H new ATOM 0 HA LYS A 33 29.261 36.798 13.120 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.335 34.587 14.970 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.420 36.218 15.605 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.186 35.603 14.745 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.865 37.039 14.005 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.428 35.649 11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.576 34.309 12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.456 35.520 12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.251 37.008 12.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.684 36.195 10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.209 35.464 10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.802 34.569 10.626 1.00 0.00 H new ATOM 541 N GLU A 34 31.279 35.285 15.361 1.00 0.00 N ATOM 542 CA GLU A 34 32.295 35.464 16.381 1.00 0.00 C ATOM 543 C GLU A 34 33.684 35.037 15.930 1.00 0.00 C ATOM 544 O GLU A 34 34.621 35.709 16.365 1.00 0.00 O ATOM 545 CB GLU A 34 31.980 34.753 17.706 1.00 0.00 C ATOM 546 CG GLU A 34 31.008 35.386 18.693 1.00 0.00 C ATOM 547 CD GLU A 34 31.325 36.791 19.175 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.411 37.076 19.728 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.473 37.682 18.951 1.00 0.00 O ATOM 0 H GLU A 34 31.000 34.307 15.277 1.00 0.00 H new ATOM 0 HA GLU A 34 32.286 36.541 16.551 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.595 33.763 17.460 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.925 34.607 18.229 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.021 35.402 18.232 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.942 34.736 19.566 1.00 0.00 H new ATOM 556 N GLY A 35 33.841 34.050 15.052 1.00 0.00 N ATOM 557 CA GLY A 35 35.057 33.781 14.302 1.00 0.00 C ATOM 558 C GLY A 35 35.682 32.485 14.836 1.00 0.00 C ATOM 559 O GLY A 35 36.870 32.273 14.604 1.00 0.00 O ATOM 0 H GLY A 35 33.092 33.391 14.838 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.833 33.684 13.240 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.757 34.610 14.406 1.00 0.00 H new ATOM 563 N ILE A 36 34.980 31.738 15.685 1.00 0.00 N ATOM 564 CA ILE A 36 35.603 30.726 16.523 1.00 0.00 C ATOM 565 C ILE A 36 35.596 29.402 15.751 1.00 0.00 C ATOM 566 O ILE A 36 34.559 29.010 15.215 1.00 0.00 O ATOM 567 CB ILE A 36 34.858 30.605 17.857 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.669 31.964 18.528 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.642 29.789 18.882 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.497 31.972 19.512 1.00 0.00 C ATOM 0 H ILE A 36 33.971 31.819 15.808 1.00 0.00 H new ATOM 0 HA ILE A 36 36.631 31.002 16.757 1.00 0.00 H new ATOM 0 HB ILE A 36 33.910 30.135 17.597 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.584 32.236 19.055 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.503 32.723 17.764 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.075 29.730 19.811 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.810 28.784 18.495 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.602 30.269 19.072 1.00 0.00 H new ATOM 0 HD11 ILE A 36 33.406 32.961 19.961 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.576 31.728 18.983 1.00 0.00 H new ATOM 0 HD13 ILE A 36 33.673 31.233 20.294 1.00 0.00 H new ATOM 582 N PRO A 37 36.716 28.718 15.587 1.00 0.00 N ATOM 583 CA PRO A 37 36.821 27.427 14.937 1.00 0.00 C ATOM 584 C PRO A 37 35.856 26.372 15.470 1.00 0.00 C ATOM 585 O PRO A 37 35.926 26.052 16.654 1.00 0.00 O ATOM 586 CB PRO A 37 38.223 26.863 15.174 1.00 0.00 C ATOM 587 CG PRO A 37 39.062 28.135 15.355 1.00 0.00 C ATOM 588 CD PRO A 37 38.066 29.191 15.822 1.00 0.00 C ATOM 0 HA PRO A 37 36.588 27.613 13.889 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.260 26.223 16.055 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.568 26.265 14.331 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.854 27.986 16.088 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.543 28.429 14.422 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.211 29.399 16.882 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.234 30.126 15.288 1.00 0.00 H new ATOM 596 N PRO A 38 35.094 25.652 14.634 1.00 0.00 N ATOM 597 CA PRO A 38 34.279 24.544 15.091 1.00 0.00 C ATOM 598 C PRO A 38 35.092 23.299 15.467 1.00 0.00 C ATOM 599 O PRO A 38 34.541 22.456 16.162 1.00 0.00 O ATOM 600 CB PRO A 38 33.386 24.048 13.965 1.00 0.00 C ATOM 601 CG PRO A 38 33.853 24.867 12.771 1.00 0.00 C ATOM 602 CD PRO A 38 34.680 26.031 13.307 1.00 0.00 C ATOM 0 HA PRO A 38 33.742 24.941 15.953 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.509 22.979 13.794 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.331 24.217 14.182 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.448 24.253 12.095 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.000 25.234 12.201 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.543 26.221 12.669 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.092 26.948 13.330 1.00 0.00 H new ATOM 610 N ASP A 39 36.404 23.363 15.278 1.00 0.00 N ATOM 611 CA ASP A 39 37.349 22.474 15.927 1.00 0.00 C ATOM 612 C ASP A 39 37.671 22.851 17.372 1.00 0.00 C ATOM 613 O ASP A 39 38.010 21.978 18.164 1.00 0.00 O ATOM 614 CB ASP A 39 38.620 22.352 15.095 1.00 0.00 C ATOM 615 CG ASP A 39 39.558 21.216 15.462 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.203 20.035 15.332 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.586 21.470 16.143 1.00 0.00 O ATOM 0 H ASP A 39 36.844 24.045 14.660 1.00 0.00 H new ATOM 0 HA ASP A 39 36.859 21.502 15.986 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.335 22.236 14.049 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.171 23.289 15.173 1.00 0.00 H new ATOM 622 N GLN A 40 37.324 24.058 17.821 1.00 0.00 N ATOM 623 CA GLN A 40 37.564 24.578 19.153 1.00 0.00 C ATOM 624 C GLN A 40 36.285 24.415 19.977 1.00 0.00 C ATOM 625 O GLN A 40 36.380 24.268 21.190 1.00 0.00 O ATOM 626 CB GLN A 40 37.962 26.057 19.094 1.00 0.00 C ATOM 627 CG GLN A 40 39.100 26.624 19.944 1.00 0.00 C ATOM 628 CD GLN A 40 40.391 25.868 19.707 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.588 25.194 18.693 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.357 26.012 20.607 1.00 0.00 N ATOM 0 H GLN A 40 36.841 24.731 17.226 1.00 0.00 H new ATOM 0 HA GLN A 40 38.383 24.026 19.615 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.207 26.275 18.055 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.070 26.633 19.339 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.244 27.678 19.707 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.832 26.569 20.999 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.194 26.569 21.445 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.262 25.565 20.460 1.00 0.00 H new ATOM 639 N GLN A 41 35.156 24.383 19.271 1.00 0.00 N ATOM 640 CA GLN A 41 33.840 24.389 19.871 1.00 0.00 C ATOM 641 C GLN A 41 33.442 22.943 20.213 1.00 0.00 C ATOM 642 O GLN A 41 33.098 22.250 19.259 1.00 0.00 O ATOM 643 CB GLN A 41 32.862 25.013 18.881 1.00 0.00 C ATOM 644 CG GLN A 41 32.992 26.509 18.597 1.00 0.00 C ATOM 645 CD GLN A 41 31.937 26.921 17.593 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.767 26.928 17.978 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.269 27.350 16.370 1.00 0.00 N ATOM 0 H GLN A 41 35.139 24.352 18.252 1.00 0.00 H new ATOM 0 HA GLN A 41 33.829 24.974 20.791 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.960 24.483 17.934 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.852 24.828 19.247 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.874 27.078 19.519 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.986 26.732 18.210 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.244 27.335 16.072 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.547 27.692 15.736 1.00 0.00 H new ATOM 656 N ARG A 42 33.368 22.654 21.503 1.00 0.00 N ATOM 657 CA ARG A 42 32.511 21.561 21.952 1.00 0.00 C ATOM 658 C ARG A 42 31.290 22.205 22.594 1.00 0.00 C ATOM 659 O ARG A 42 31.429 23.269 23.197 1.00 0.00 O ATOM 660 CB ARG A 42 33.118 20.721 23.078 1.00 0.00 C ATOM 661 CG ARG A 42 34.621 20.498 22.875 1.00 0.00 C ATOM 662 CD ARG A 42 35.277 19.444 23.767 1.00 0.00 C ATOM 663 NE ARG A 42 34.790 18.098 23.492 1.00 0.00 N ATOM 664 CZ ARG A 42 35.174 16.999 24.161 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.784 17.004 25.355 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.008 15.794 23.606 1.00 0.00 N ATOM 0 H ARG A 42 33.874 23.143 22.241 1.00 0.00 H new ATOM 0 HA ARG A 42 32.326 20.926 21.086 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.950 21.218 24.033 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.611 19.757 23.127 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.788 20.217 21.835 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.132 21.447 23.035 1.00 0.00 H new ATOM 0 HD2 ARG A 42 36.357 19.472 23.623 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.088 19.689 24.812 1.00 0.00 H new ATOM 0 HE ARG A 42 34.111 17.983 22.740 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.988 17.889 25.820 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.044 16.123 25.798 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.591 15.713 22.679 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.298 14.956 24.110 1.00 0.00 H new ATOM 680 N LEU A 43 30.146 21.542 22.495 1.00 0.00 N ATOM 681 CA LEU A 43 28.931 21.593 23.300 1.00 0.00 C ATOM 682 C LEU A 43 28.886 20.426 24.276 1.00 0.00 C ATOM 683 O LEU A 43 28.806 19.311 23.751 1.00 0.00 O ATOM 684 CB LEU A 43 27.791 21.499 22.283 1.00 0.00 C ATOM 685 CG LEU A 43 27.388 22.827 21.629 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.449 22.738 20.421 1.00 0.00 C ATOM 687 CD2 LEU A 43 26.990 23.810 22.730 1.00 0.00 C ATOM 0 H LEU A 43 30.034 20.861 21.744 1.00 0.00 H new ATOM 0 HA LEU A 43 28.869 22.499 23.903 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.082 20.800 21.499 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.917 21.077 22.779 1.00 0.00 H new ATOM 0 HG LEU A 43 28.262 23.229 21.116 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.239 23.741 20.049 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.923 22.151 19.634 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.517 22.259 20.719 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.700 24.760 22.282 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.150 23.404 23.294 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.835 23.967 23.400 1.00 0.00 H new ATOM 699 N ILE A 44 28.960 20.621 25.589 1.00 0.00 N ATOM 700 CA ILE A 44 28.767 19.566 26.567 1.00 0.00 C ATOM 701 C ILE A 44 27.611 20.107 27.417 1.00 0.00 C ATOM 702 O ILE A 44 27.639 21.189 27.998 1.00 0.00 O ATOM 703 CB ILE A 44 29.978 19.367 27.469 1.00 0.00 C ATOM 704 CG1 ILE A 44 31.341 19.406 26.782 1.00 0.00 C ATOM 705 CG2 ILE A 44 29.844 18.090 28.307 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.656 18.243 25.845 1.00 0.00 C ATOM 0 H ILE A 44 29.159 21.531 26.005 1.00 0.00 H new ATOM 0 HA ILE A 44 28.590 18.603 26.087 1.00 0.00 H new ATOM 0 HB ILE A 44 29.965 20.246 28.113 1.00 0.00 H new ATOM 0 HG12 ILE A 44 31.412 20.333 26.213 1.00 0.00 H new ATOM 0 HG13 ILE A 44 32.112 19.445 27.552 1.00 0.00 H new ATOM 0 HG21 ILE A 44 30.724 17.976 28.940 1.00 0.00 H new ATOM 0 HG22 ILE A 44 28.953 18.157 28.932 1.00 0.00 H new ATOM 0 HG23 ILE A 44 29.759 17.228 27.645 1.00 0.00 H new ATOM 0 HD11 ILE A 44 32.649 18.380 25.416 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.628 17.308 26.404 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.917 18.210 25.045 1.00 0.00 H new ATOM 718 N PHE A 45 26.543 19.315 27.402 1.00 0.00 N ATOM 719 CA PHE A 45 25.256 19.740 27.907 1.00 0.00 C ATOM 720 C PHE A 45 24.605 18.531 28.584 1.00 0.00 C ATOM 721 O PHE A 45 24.176 17.595 27.921 1.00 0.00 O ATOM 722 CB PHE A 45 24.487 20.311 26.720 1.00 0.00 C ATOM 723 CG PHE A 45 23.178 20.971 27.075 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.108 22.204 27.736 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.973 20.344 26.740 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.906 22.806 28.108 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.727 20.905 27.055 1.00 0.00 C ATOM 728 CZ PHE A 45 20.750 22.058 27.840 1.00 0.00 C ATOM 0 H PHE A 45 26.553 18.362 27.038 1.00 0.00 H new ATOM 0 HA PHE A 45 25.300 20.523 28.664 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.119 21.039 26.211 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.292 19.507 26.010 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.031 22.714 27.969 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.003 19.397 26.222 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.868 23.781 28.571 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.801 20.469 26.709 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.818 22.396 28.269 1.00 0.00 H new ATOM 738 N ALA A 46 24.509 18.662 29.903 1.00 0.00 N ATOM 739 CA ALA A 46 23.808 17.833 30.866 1.00 0.00 C ATOM 740 C ALA A 46 24.518 16.496 31.113 1.00 0.00 C ATOM 741 O ALA A 46 23.834 15.570 31.541 1.00 0.00 O ATOM 742 CB ALA A 46 22.358 17.765 30.392 1.00 0.00 C ATOM 0 H ALA A 46 24.974 19.440 30.371 1.00 0.00 H new ATOM 0 HA ALA A 46 23.812 18.259 31.869 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.778 17.151 31.081 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.938 18.770 30.360 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.321 17.325 29.395 1.00 0.00 H new ATOM 748 N GLY A 47 25.823 16.410 30.893 1.00 0.00 N ATOM 749 CA GLY A 47 26.598 15.206 31.111 1.00 0.00 C ATOM 750 C GLY A 47 26.910 14.409 29.849 1.00 0.00 C ATOM 751 O GLY A 47 27.521 13.359 30.028 1.00 0.00 O ATOM 0 H GLY A 47 26.379 17.194 30.551 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.537 15.478 31.594 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.057 14.563 31.805 1.00 0.00 H new ATOM 755 N LYS A 48 26.642 14.838 28.623 1.00 0.00 N ATOM 756 CA LYS A 48 27.054 14.290 27.344 1.00 0.00 C ATOM 757 C LYS A 48 27.438 15.456 26.424 1.00 0.00 C ATOM 758 O LYS A 48 27.010 16.607 26.507 1.00 0.00 O ATOM 759 CB LYS A 48 26.019 13.408 26.642 1.00 0.00 C ATOM 760 CG LYS A 48 24.631 14.017 26.580 1.00 0.00 C ATOM 761 CD LYS A 48 23.577 13.093 25.972 1.00 0.00 C ATOM 762 CE LYS A 48 22.948 12.027 26.879 1.00 0.00 C ATOM 763 NZ LYS A 48 22.246 11.041 26.043 1.00 0.00 N ATOM 0 H LYS A 48 26.067 15.670 28.490 1.00 0.00 H new ATOM 0 HA LYS A 48 27.893 13.627 27.553 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.360 13.202 25.627 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.962 12.450 27.159 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.320 14.293 27.588 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.674 14.937 25.997 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.773 13.715 25.580 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.029 12.584 25.121 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.719 11.536 27.473 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.253 12.491 27.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.816 10.314 26.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.502 11.518 25.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.923 10.593 25.393 1.00 0.00 H new ATOM 777 N GLN A 49 28.364 15.090 25.544 1.00 0.00 N ATOM 778 CA GLN A 49 28.603 15.849 24.343 1.00 0.00 C ATOM 779 C GLN A 49 27.401 15.801 23.390 1.00 0.00 C ATOM 780 O GLN A 49 26.880 14.737 23.082 1.00 0.00 O ATOM 781 CB GLN A 49 29.793 15.231 23.604 1.00 0.00 C ATOM 782 CG GLN A 49 30.268 16.100 22.439 1.00 0.00 C ATOM 783 CD GLN A 49 30.695 15.305 21.214 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.529 14.398 21.266 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.061 15.515 20.063 1.00 0.00 N ATOM 0 H GLN A 49 28.958 14.268 25.650 1.00 0.00 H new ATOM 0 HA GLN A 49 28.788 16.883 24.633 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.616 15.084 24.304 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.513 14.246 23.229 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.466 16.782 22.156 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.105 16.713 22.773 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.366 16.258 19.992 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.270 14.933 19.252 1.00 0.00 H new ATOM 794 N LEU A 50 27.034 16.952 22.835 1.00 0.00 N ATOM 795 CA LEU A 50 26.025 17.050 21.790 1.00 0.00 C ATOM 796 C LEU A 50 26.734 16.964 20.442 1.00 0.00 C ATOM 797 O LEU A 50 27.815 17.537 20.329 1.00 0.00 O ATOM 798 CB LEU A 50 25.228 18.352 21.787 1.00 0.00 C ATOM 799 CG LEU A 50 24.705 18.712 23.182 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.092 20.100 23.067 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.735 17.647 23.702 1.00 0.00 C ATOM 0 H LEU A 50 27.434 17.851 23.102 1.00 0.00 H new ATOM 0 HA LEU A 50 25.319 16.240 21.976 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.858 19.161 21.417 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.388 18.261 21.098 1.00 0.00 H new ATOM 0 HG LEU A 50 25.503 18.733 23.924 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.702 20.407 24.037 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.854 20.808 22.741 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.280 20.080 22.340 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.381 17.930 24.693 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.886 17.566 23.023 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.247 16.686 23.760 1.00 0.00 H new ATOM 813 N GLU A 51 26.103 16.434 19.402 1.00 0.00 N ATOM 814 CA GLU A 51 26.691 15.721 18.286 1.00 0.00 C ATOM 815 C GLU A 51 26.050 15.992 16.924 1.00 0.00 C ATOM 816 O GLU A 51 24.865 16.335 16.957 1.00 0.00 O ATOM 817 CB GLU A 51 26.900 14.240 18.577 1.00 0.00 C ATOM 818 CG GLU A 51 27.663 13.378 17.574 1.00 0.00 C ATOM 819 CD GLU A 51 29.064 13.894 17.237 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.034 13.619 17.971 1.00 0.00 O ATOM 821 OE2 GLU A 51 29.253 14.702 16.299 1.00 0.00 O ATOM 0 H GLU A 51 25.089 16.499 19.315 1.00 0.00 H new ATOM 0 HA GLU A 51 27.684 16.158 18.184 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.418 14.165 19.533 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.916 13.791 18.711 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.747 12.367 17.972 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.082 13.311 16.654 1.00 0.00 H new ATOM 828 N ASP A 52 26.681 15.597 15.828 1.00 0.00 N ATOM 829 CA ASP A 52 26.284 15.831 14.455 1.00 0.00 C ATOM 830 C ASP A 52 25.026 15.086 14.009 1.00 0.00 C ATOM 831 O ASP A 52 24.907 13.879 14.157 1.00 0.00 O ATOM 832 CB ASP A 52 27.474 15.669 13.506 1.00 0.00 C ATOM 833 CG ASP A 52 27.197 15.738 12.015 1.00 0.00 C ATOM 834 OD1 ASP A 52 26.583 16.716 11.536 1.00 0.00 O ATOM 835 OD2 ASP A 52 27.574 14.797 11.276 1.00 0.00 O ATOM 0 H ASP A 52 27.549 15.065 15.884 1.00 0.00 H new ATOM 0 HA ASP A 52 25.968 16.873 14.405 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.205 16.441 13.748 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.944 14.708 13.717 1.00 0.00 H new ATOM 840 N GLY A 53 24.003 15.815 13.539 1.00 0.00 N ATOM 841 CA GLY A 53 22.957 15.171 12.773 1.00 0.00 C ATOM 842 C GLY A 53 21.622 15.180 13.534 1.00 0.00 C ATOM 843 O GLY A 53 20.569 15.007 12.920 1.00 0.00 O ATOM 0 H GLY A 53 23.889 16.819 13.676 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.837 15.681 11.817 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.245 14.143 12.552 1.00 0.00 H new ATOM 847 N ARG A 54 21.700 15.324 14.853 1.00 0.00 N ATOM 848 CA ARG A 54 20.585 15.582 15.748 1.00 0.00 C ATOM 849 C ARG A 54 20.236 17.065 15.653 1.00 0.00 C ATOM 850 O ARG A 54 21.125 17.911 15.697 1.00 0.00 O ATOM 851 CB ARG A 54 21.197 15.346 17.129 1.00 0.00 C ATOM 852 CG ARG A 54 21.611 13.898 17.367 1.00 0.00 C ATOM 853 CD ARG A 54 23.083 13.589 17.073 1.00 0.00 C ATOM 854 NE ARG A 54 23.212 12.201 16.623 1.00 0.00 N ATOM 855 CZ ARG A 54 23.927 11.183 17.130 1.00 0.00 C ATOM 856 NH1 ARG A 54 24.621 11.194 18.273 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.978 10.100 16.351 1.00 0.00 N ATOM 0 H ARG A 54 22.589 15.260 15.348 1.00 0.00 H new ATOM 0 HA ARG A 54 19.701 14.980 15.536 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.069 15.990 17.247 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.477 15.641 17.893 1.00 0.00 H new ATOM 0 HG2 ARG A 54 21.402 13.642 18.406 1.00 0.00 H new ATOM 0 HG3 ARG A 54 20.989 13.251 16.748 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.462 14.267 16.308 1.00 0.00 H new ATOM 0 HD3 ARG A 54 23.685 13.750 17.968 1.00 0.00 H new ATOM 0 HE ARG A 54 22.671 11.970 15.790 1.00 0.00 H new ATOM 0 HH11 ARG A 54 24.639 12.035 18.850 1.00 0.00 H new ATOM 0 HH12 ARG A 54 25.132 10.362 18.567 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.496 10.095 15.452 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.499 9.277 16.655 1.00 0.00 H new ATOM 871 N THR A 55 18.936 17.369 15.623 1.00 0.00 N ATOM 872 CA THR A 55 18.487 18.743 15.564 1.00 0.00 C ATOM 873 C THR A 55 18.461 19.298 16.995 1.00 0.00 C ATOM 874 O THR A 55 18.420 18.557 17.975 1.00 0.00 O ATOM 875 CB THR A 55 17.066 18.778 15.007 1.00 0.00 C ATOM 876 OG1 THR A 55 16.194 18.032 15.828 1.00 0.00 O ATOM 877 CG2 THR A 55 16.923 18.241 13.581 1.00 0.00 C ATOM 0 H THR A 55 18.186 16.678 15.639 1.00 0.00 H new ATOM 0 HA THR A 55 19.151 19.332 14.931 1.00 0.00 H new ATOM 0 HB THR A 55 16.809 19.837 14.989 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.271 17.080 15.607 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.880 18.306 13.271 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.540 18.834 12.905 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.247 17.201 13.550 1.00 0.00 H new ATOM 885 N LEU A 56 18.541 20.610 17.173 1.00 0.00 N ATOM 886 CA LEU A 56 18.130 21.286 18.386 1.00 0.00 C ATOM 887 C LEU A 56 16.816 20.833 19.020 1.00 0.00 C ATOM 888 O LEU A 56 16.709 20.510 20.205 1.00 0.00 O ATOM 889 CB LEU A 56 18.166 22.814 18.261 1.00 0.00 C ATOM 890 CG LEU A 56 19.561 23.382 18.012 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.309 24.837 17.615 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.382 23.245 19.298 1.00 0.00 C ATOM 0 H LEU A 56 18.902 21.243 16.460 1.00 0.00 H new ATOM 0 HA LEU A 56 18.899 20.962 19.087 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.510 23.117 17.445 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.763 23.253 19.174 1.00 0.00 H new ATOM 0 HG LEU A 56 20.128 22.870 17.235 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.261 25.330 17.415 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.689 24.868 16.719 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.797 25.352 18.428 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.382 23.647 19.136 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.895 23.798 20.101 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.454 22.193 19.573 1.00 0.00 H new ATOM 904 N SER A 57 15.802 20.543 18.213 1.00 0.00 N ATOM 905 CA SER A 57 14.660 19.759 18.627 1.00 0.00 C ATOM 906 C SER A 57 14.937 18.389 19.226 1.00 0.00 C ATOM 907 O SER A 57 14.222 18.028 20.164 1.00 0.00 O ATOM 908 CB SER A 57 13.492 19.861 17.639 1.00 0.00 C ATOM 909 OG SER A 57 13.955 19.822 16.303 1.00 0.00 O ATOM 0 H SER A 57 15.756 20.853 17.242 1.00 0.00 H new ATOM 0 HA SER A 57 14.305 20.252 19.532 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.794 19.042 17.810 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.945 20.788 17.811 1.00 0.00 H new ATOM 0 HG SER A 57 14.707 19.198 16.236 1.00 0.00 H new ATOM 915 N ASP A 58 15.787 17.524 18.678 1.00 0.00 N ATOM 916 CA ASP A 58 16.107 16.208 19.201 1.00 0.00 C ATOM 917 C ASP A 58 16.821 16.232 20.556 1.00 0.00 C ATOM 918 O ASP A 58 16.854 15.234 21.261 1.00 0.00 O ATOM 919 CB ASP A 58 16.953 15.384 18.223 1.00 0.00 C ATOM 920 CG ASP A 58 16.316 14.941 16.914 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.630 13.901 16.850 1.00 0.00 O ATOM 922 OD2 ASP A 58 16.841 15.437 15.888 1.00 0.00 O ATOM 0 H ASP A 58 16.292 17.736 17.818 1.00 0.00 H new ATOM 0 HA ASP A 58 15.133 15.738 19.340 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.842 15.966 17.980 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.291 14.490 18.747 1.00 0.00 H new ATOM 927 N TYR A 59 17.326 17.380 21.016 1.00 0.00 N ATOM 928 CA TYR A 59 17.892 17.611 22.333 1.00 0.00 C ATOM 929 C TYR A 59 16.935 18.397 23.229 1.00 0.00 C ATOM 930 O TYR A 59 17.434 18.957 24.201 1.00 0.00 O ATOM 931 CB TYR A 59 19.303 18.191 22.182 1.00 0.00 C ATOM 932 CG TYR A 59 20.348 17.277 21.579 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.769 16.105 22.216 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.014 17.714 20.423 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.803 15.345 21.671 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.123 17.021 19.924 1.00 0.00 C ATOM 937 CZ TYR A 59 22.474 15.802 20.529 1.00 0.00 C ATOM 938 OH TYR A 59 23.593 15.201 20.035 1.00 0.00 O ATOM 0 H TYR A 59 17.348 18.220 20.437 1.00 0.00 H new ATOM 0 HA TYR A 59 18.014 16.671 22.871 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.239 19.088 21.567 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.651 18.504 23.167 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.292 15.788 23.132 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.665 18.599 19.911 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.086 14.408 22.127 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.694 17.413 19.095 1.00 0.00 H new ATOM 0 HH TYR A 59 23.569 14.244 20.243 1.00 0.00 H new ATOM 948 N ASN A 60 15.683 18.584 22.802 1.00 0.00 N ATOM 949 CA ASN A 60 14.597 19.343 23.387 1.00 0.00 C ATOM 950 C ASN A 60 14.853 20.840 23.566 1.00 0.00 C ATOM 951 O ASN A 60 14.253 21.465 24.430 1.00 0.00 O ATOM 952 CB ASN A 60 14.171 18.584 24.639 1.00 0.00 C ATOM 953 CG ASN A 60 12.679 18.575 24.948 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.190 19.488 25.606 1.00 0.00 O ATOM 955 ND2 ASN A 60 11.980 17.581 24.402 1.00 0.00 N ATOM 0 H ASN A 60 15.380 18.149 21.930 1.00 0.00 H new ATOM 0 HA ASN A 60 13.762 19.399 22.688 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.507 17.551 24.544 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.695 19.012 25.494 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.967 17.545 24.519 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.457 16.856 23.867 1.00 0.00 H new ATOM 962 N ILE A 61 15.821 21.444 22.883 1.00 0.00 N ATOM 963 CA ILE A 61 16.205 22.838 23.048 1.00 0.00 C ATOM 964 C ILE A 61 15.056 23.608 22.399 1.00 0.00 C ATOM 965 O ILE A 61 14.588 23.372 21.280 1.00 0.00 O ATOM 966 CB ILE A 61 17.633 23.117 22.583 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.729 22.368 23.356 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.001 24.572 22.317 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.957 22.041 22.498 1.00 0.00 C ATOM 0 H ILE A 61 16.376 20.959 22.178 1.00 0.00 H new ATOM 0 HA ILE A 61 16.304 23.171 24.081 1.00 0.00 H new ATOM 0 HB ILE A 61 17.602 22.671 21.589 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.040 22.971 24.209 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.315 21.442 23.755 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.040 24.631 21.994 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.355 24.974 21.537 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.871 25.153 23.230 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.693 21.512 23.103 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.658 21.412 21.659 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.394 22.966 22.121 1.00 0.00 H new ATOM 981 N GLN A 62 14.504 24.453 23.261 1.00 0.00 N ATOM 982 CA GLN A 62 13.439 25.422 23.071 1.00 0.00 C ATOM 983 C GLN A 62 13.916 26.857 23.262 1.00 0.00 C ATOM 984 O GLN A 62 14.852 27.175 23.993 1.00 0.00 O ATOM 985 CB GLN A 62 12.184 25.044 23.853 1.00 0.00 C ATOM 986 CG GLN A 62 10.888 25.836 23.711 1.00 0.00 C ATOM 987 CD GLN A 62 10.366 25.997 22.289 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.085 26.387 21.367 1.00 0.00 O ATOM 989 NE2 GLN A 62 9.127 25.590 22.037 1.00 0.00 N ATOM 0 H GLN A 62 14.835 24.475 24.226 1.00 0.00 H new ATOM 0 HA GLN A 62 13.134 25.386 22.025 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.952 24.009 23.600 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.452 25.061 24.909 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.118 25.348 24.308 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.041 26.828 24.137 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.531 25.267 22.799 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.771 25.600 21.081 1.00 0.00 H new ATOM 998 N LYS A 63 13.322 27.701 22.419 1.00 0.00 N ATOM 999 CA LYS A 63 13.422 29.149 22.371 1.00 0.00 C ATOM 1000 C LYS A 63 13.671 29.852 23.708 1.00 0.00 C ATOM 1001 O LYS A 63 13.019 29.496 24.681 1.00 0.00 O ATOM 1002 CB LYS A 63 12.219 29.727 21.644 1.00 0.00 C ATOM 1003 CG LYS A 63 10.789 29.544 22.162 1.00 0.00 C ATOM 1004 CD LYS A 63 10.081 30.905 22.197 1.00 0.00 C ATOM 1005 CE LYS A 63 9.694 31.608 20.908 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.542 33.061 21.082 1.00 0.00 N ATOM 0 H LYS A 63 12.703 27.350 21.688 1.00 0.00 H new ATOM 0 HA LYS A 63 14.334 29.355 21.811 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.388 30.801 21.562 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.240 29.323 20.632 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.243 28.854 21.519 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.805 29.104 23.159 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.169 30.778 22.780 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.723 31.587 22.755 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.453 31.414 20.150 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.758 31.190 20.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.164 33.478 20.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.887 33.250 21.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.468 33.484 21.295 1.00 0.00 H new ATOM 1020 N GLU A 64 14.629 30.766 23.776 1.00 0.00 N ATOM 1021 CA GLU A 64 14.860 31.771 24.796 1.00 0.00 C ATOM 1022 C GLU A 64 15.529 31.162 26.028 1.00 0.00 C ATOM 1023 O GLU A 64 15.388 31.683 27.138 1.00 0.00 O ATOM 1024 CB GLU A 64 13.596 32.603 25.018 1.00 0.00 C ATOM 1025 CG GLU A 64 13.353 33.778 24.071 1.00 0.00 C ATOM 1026 CD GLU A 64 11.957 33.647 23.487 1.00 0.00 C ATOM 1027 OE1 GLU A 64 11.021 33.593 24.300 1.00 0.00 O ATOM 1028 OE2 GLU A 64 11.741 33.709 22.257 1.00 0.00 O ATOM 0 H GLU A 64 15.334 30.825 23.041 1.00 0.00 H new ATOM 0 HA GLU A 64 15.595 32.505 24.464 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.737 31.935 24.953 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.622 32.991 26.036 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.452 34.722 24.606 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.098 33.783 23.275 1.00 0.00 H new ATOM 1035 N SER A 65 16.210 30.048 25.822 1.00 0.00 N ATOM 1036 CA SER A 65 17.063 29.313 26.738 1.00 0.00 C ATOM 1037 C SER A 65 18.552 29.623 26.560 1.00 0.00 C ATOM 1038 O SER A 65 18.928 30.171 25.528 1.00 0.00 O ATOM 1039 CB SER A 65 16.746 27.824 26.597 1.00 0.00 C ATOM 1040 OG SER A 65 15.346 27.608 26.663 1.00 0.00 O ATOM 0 H SER A 65 16.174 29.588 24.912 1.00 0.00 H new ATOM 0 HA SER A 65 16.848 29.635 27.757 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.134 27.451 25.649 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.245 27.263 27.388 1.00 0.00 H new ATOM 0 HG SER A 65 15.001 27.419 25.765 1.00 0.00 H new ATOM 1046 N THR A 66 19.330 29.301 27.595 1.00 0.00 N ATOM 1047 CA THR A 66 20.759 29.538 27.569 1.00 0.00 C ATOM 1048 C THR A 66 21.527 28.238 27.308 1.00 0.00 C ATOM 1049 O THR A 66 21.155 27.316 28.024 1.00 0.00 O ATOM 1050 CB THR A 66 21.242 30.057 28.925 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.629 31.316 29.000 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.749 30.321 29.035 1.00 0.00 C ATOM 0 H THR A 66 18.987 28.876 28.457 1.00 0.00 H new ATOM 0 HA THR A 66 20.942 30.264 26.777 1.00 0.00 H new ATOM 0 HB THR A 66 21.010 29.319 29.693 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.872 31.748 29.845 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.982 30.685 30.035 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.295 29.396 28.849 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.042 31.069 28.299 1.00 0.00 H new ATOM 1060 N LEU A 67 22.288 28.123 26.226 1.00 0.00 N ATOM 1061 CA LEU A 67 23.331 27.126 26.139 1.00 0.00 C ATOM 1062 C LEU A 67 24.638 27.764 26.602 1.00 0.00 C ATOM 1063 O LEU A 67 24.742 28.983 26.722 1.00 0.00 O ATOM 1064 CB LEU A 67 23.376 26.594 24.705 1.00 0.00 C ATOM 1065 CG LEU A 67 22.339 25.522 24.392 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.401 25.097 22.924 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.310 24.311 25.324 1.00 0.00 C ATOM 0 H LEU A 67 22.197 28.712 25.399 1.00 0.00 H new ATOM 0 HA LEU A 67 23.146 26.269 26.786 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.236 27.428 24.018 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.369 26.187 24.514 1.00 0.00 H new ATOM 0 HG LEU A 67 21.389 26.019 24.588 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.648 24.332 22.735 1.00 0.00 H new ATOM 0 HD12 LEU A 67 22.209 25.960 22.287 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.390 24.696 22.703 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.532 23.620 24.999 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.277 23.808 25.297 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.101 24.640 26.342 1.00 0.00 H new ATOM 1079 N HIS A 68 25.641 26.955 26.933 1.00 0.00 N ATOM 1080 CA HIS A 68 27.007 27.312 27.239 1.00 0.00 C ATOM 1081 C HIS A 68 27.946 26.514 26.337 1.00 0.00 C ATOM 1082 O HIS A 68 27.504 25.554 25.699 1.00 0.00 O ATOM 1083 CB HIS A 68 27.388 27.108 28.706 1.00 0.00 C ATOM 1084 CG HIS A 68 27.701 25.699 29.133 1.00 0.00 C ATOM 1085 ND1 HIS A 68 28.952 25.099 29.113 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.813 24.858 29.762 1.00 0.00 C ATOM 1087 CE1 HIS A 68 28.761 23.885 29.647 1.00 0.00 C ATOM 1088 NE2 HIS A 68 27.464 23.644 29.898 1.00 0.00 N ATOM 0 H HIS A 68 25.497 25.947 26.997 1.00 0.00 H new ATOM 0 HA HIS A 68 27.104 28.382 27.053 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.257 27.730 28.922 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.570 27.477 29.325 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.810 25.097 30.085 1.00 0.00 H new ATOM 0 HE1 HIS A 68 29.556 23.183 29.851 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.043 22.747 30.140 1.00 0.00 H new ATOM 1096 N LEU A 69 29.188 26.928 26.106 1.00 0.00 N ATOM 1097 CA LEU A 69 30.275 26.327 25.356 1.00 0.00 C ATOM 1098 C LEU A 69 31.456 25.953 26.249 1.00 0.00 C ATOM 1099 O LEU A 69 31.813 26.670 27.178 1.00 0.00 O ATOM 1100 CB LEU A 69 30.626 27.499 24.440 1.00 0.00 C ATOM 1101 CG LEU A 69 31.401 27.255 23.148 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.387 28.558 22.352 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.859 26.821 23.270 1.00 0.00 C ATOM 0 H LEU A 69 29.492 27.819 26.499 1.00 0.00 H new ATOM 0 HA LEU A 69 30.022 25.393 24.855 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.691 27.989 24.169 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.200 28.212 25.032 1.00 0.00 H new ATOM 0 HG LEU A 69 30.894 26.412 22.679 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.934 28.420 21.419 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.357 28.838 22.131 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.860 29.347 22.937 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.283 26.685 22.275 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.423 27.586 23.803 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.914 25.881 23.820 1.00 0.00 H new ATOM 1115 N VAL A 70 32.183 24.903 25.866 1.00 0.00 N ATOM 1116 CA VAL A 70 33.311 24.317 26.564 1.00 0.00 C ATOM 1117 C VAL A 70 34.440 24.328 25.531 1.00 0.00 C ATOM 1118 O VAL A 70 34.400 23.631 24.522 1.00 0.00 O ATOM 1119 CB VAL A 70 32.909 22.926 27.068 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.992 22.222 27.875 1.00 0.00 C ATOM 1121 CG2 VAL A 70 31.762 23.058 28.064 1.00 0.00 C ATOM 0 H VAL A 70 31.978 24.410 24.997 1.00 0.00 H new ATOM 0 HA VAL A 70 33.637 24.852 27.456 1.00 0.00 H new ATOM 0 HB VAL A 70 32.675 22.364 26.164 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.630 21.245 28.195 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.881 22.095 27.258 1.00 0.00 H new ATOM 0 HG13 VAL A 70 34.241 22.821 28.751 1.00 0.00 H new ATOM 0 HG21 VAL A 70 31.476 22.069 28.423 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.081 23.671 28.907 1.00 0.00 H new ATOM 0 HG23 VAL A 70 30.908 23.528 27.576 1.00 0.00 H new ATOM 1131 N LEU A 71 35.516 25.052 25.839 1.00 0.00 N ATOM 1132 CA LEU A 71 36.680 24.928 24.983 1.00 0.00 C ATOM 1133 C LEU A 71 37.370 23.565 25.150 1.00 0.00 C ATOM 1134 O LEU A 71 37.311 23.052 26.269 1.00 0.00 O ATOM 1135 CB LEU A 71 37.631 26.117 25.126 1.00 0.00 C ATOM 1136 CG LEU A 71 37.935 26.691 26.510 1.00 0.00 C ATOM 1137 CD1 LEU A 71 38.946 25.804 27.226 1.00 0.00 C ATOM 1138 CD2 LEU A 71 38.463 28.132 26.403 1.00 0.00 C ATOM 0 H LEU A 71 35.602 25.693 26.628 1.00 0.00 H new ATOM 0 HA LEU A 71 36.331 24.959 23.951 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.582 25.827 24.679 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.229 26.929 24.520 1.00 0.00 H new ATOM 0 HG LEU A 71 37.011 26.715 27.088 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.159 26.218 28.212 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.536 24.800 27.335 1.00 0.00 H new ATOM 0 HD13 LEU A 71 39.867 25.759 26.645 1.00 0.00 H new ATOM 0 HD21 LEU A 71 38.672 28.518 27.401 1.00 0.00 H new ATOM 0 HD22 LEU A 71 39.378 28.141 25.811 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.713 28.759 25.921 1.00 0.00 H new