USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 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 -88:sc= 2.05 USER MOD Set 1.2: A 57 SER OG : rot -32:sc= 0.95 USER MOD Set 2.1: A 7 THR OG1 : rot 125:sc= 1.35 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.04 (180deg=1.03) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0.548 (180deg=-0.268!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.23) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 1.8 (180deg=1.73) USER MOD Single : A 31 GLN : amide:sc= -0.0831 K(o=-0.083,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 40 GLN : amide:sc= -0.0155 K(o=-0.016,f=-0.81) USER MOD Single : A 41 GLN : amide:sc= 0.279 K(o=0.28,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.01 K(o=1,f=-6.4!) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.602 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.738 52.385 19.097 1.00 0.00 N ATOM 2 CA MET A 1 33.702 52.738 20.525 1.00 0.00 C ATOM 3 C MET A 1 35.130 52.770 21.073 1.00 0.00 C ATOM 4 O MET A 1 36.027 52.196 20.461 1.00 0.00 O ATOM 5 CB MET A 1 32.749 51.858 21.329 1.00 0.00 C ATOM 6 CG MET A 1 33.116 50.384 21.478 1.00 0.00 C ATOM 7 SD MET A 1 34.454 50.012 22.638 1.00 0.00 S ATOM 8 CE MET A 1 34.210 48.231 22.858 1.00 0.00 C ATOM 0 H1 MET A 1 32.770 52.379 18.716 1.00 0.00 H new ATOM 0 H2 MET A 1 34.309 53.085 18.581 1.00 0.00 H new ATOM 0 H3 MET A 1 34.161 51.442 18.983 1.00 0.00 H new ATOM 0 HA MET A 1 33.283 53.738 20.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.656 52.285 22.327 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.764 51.915 20.865 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.226 49.839 21.794 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.395 49.999 20.497 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.959 47.844 23.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.214 48.047 23.262 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.310 47.728 21.896 1.00 0.00 H new ATOM 20 N GLN A 2 35.346 53.470 22.183 1.00 0.00 N ATOM 21 CA GLN A 2 36.665 53.772 22.702 1.00 0.00 C ATOM 22 C GLN A 2 37.136 52.738 23.728 1.00 0.00 C ATOM 23 O GLN A 2 36.416 52.462 24.684 1.00 0.00 O ATOM 24 CB GLN A 2 36.650 55.156 23.345 1.00 0.00 C ATOM 25 CG GLN A 2 36.342 56.286 22.366 1.00 0.00 C ATOM 26 CD GLN A 2 36.249 57.635 23.082 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.486 57.825 24.028 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.993 58.648 22.650 1.00 0.00 N ATOM 0 H GLN A 2 34.590 53.848 22.754 1.00 0.00 H new ATOM 0 HA GLN A 2 37.363 53.746 21.866 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.908 55.167 24.144 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.619 55.342 23.807 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.119 56.330 21.603 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.403 56.079 21.853 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.633 58.513 21.867 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.924 59.560 23.101 1.00 0.00 H new ATOM 37 N ILE A 3 38.372 52.264 23.604 1.00 0.00 N ATOM 38 CA ILE A 3 39.081 51.567 24.659 1.00 0.00 C ATOM 39 C ILE A 3 40.389 52.282 25.002 1.00 0.00 C ATOM 40 O ILE A 3 40.950 52.985 24.165 1.00 0.00 O ATOM 41 CB ILE A 3 39.320 50.093 24.343 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.149 49.888 23.079 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.996 49.334 24.313 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.683 48.472 22.887 1.00 0.00 C ATOM 0 H ILE A 3 38.916 52.359 22.746 1.00 0.00 H new ATOM 0 HA ILE A 3 38.435 51.589 25.537 1.00 0.00 H new ATOM 0 HB ILE A 3 39.923 49.674 25.148 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.539 50.152 22.215 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.991 50.580 23.098 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.183 48.284 24.086 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.509 49.414 25.285 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.349 49.761 23.546 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.259 48.423 21.963 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.323 48.207 23.729 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.849 47.773 22.832 1.00 0.00 H new ATOM 56 N PHE A 4 40.881 52.081 26.221 1.00 0.00 N ATOM 57 CA PHE A 4 42.118 52.672 26.694 1.00 0.00 C ATOM 58 C PHE A 4 43.226 51.624 26.799 1.00 0.00 C ATOM 59 O PHE A 4 43.155 50.693 27.599 1.00 0.00 O ATOM 60 CB PHE A 4 41.884 53.423 28.002 1.00 0.00 C ATOM 61 CG PHE A 4 40.759 54.430 27.994 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.594 55.319 26.925 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.868 54.475 29.073 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.527 56.224 26.917 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.813 55.396 29.079 1.00 0.00 C ATOM 66 CZ PHE A 4 38.635 56.265 27.996 1.00 0.00 C ATOM 0 H PHE A 4 40.420 51.493 26.915 1.00 0.00 H new ATOM 0 HA PHE A 4 42.461 53.405 25.963 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.686 52.693 28.787 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.805 53.939 28.272 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.294 55.306 26.103 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.995 53.797 29.904 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.391 56.891 26.079 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.136 55.436 29.920 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.812 56.965 27.993 1.00 0.00 H new ATOM 76 N VAL A 5 44.266 51.779 25.984 1.00 0.00 N ATOM 77 CA VAL A 5 45.457 50.951 25.985 1.00 0.00 C ATOM 78 C VAL A 5 46.487 51.574 26.929 1.00 0.00 C ATOM 79 O VAL A 5 46.881 52.719 26.714 1.00 0.00 O ATOM 80 CB VAL A 5 46.023 50.798 24.578 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.281 49.932 24.559 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.000 50.170 23.637 1.00 0.00 C ATOM 0 H VAL A 5 44.298 52.515 25.279 1.00 0.00 H new ATOM 0 HA VAL A 5 45.202 49.951 26.335 1.00 0.00 H new ATOM 0 HB VAL A 5 46.273 51.804 24.242 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.651 49.850 23.537 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.047 50.389 25.186 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.045 48.939 24.941 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.433 50.074 22.641 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.721 49.184 24.008 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.114 50.803 23.588 1.00 0.00 H new ATOM 92 N LYS A 6 46.942 50.838 27.940 1.00 0.00 N ATOM 93 CA LYS A 6 48.054 51.214 28.789 1.00 0.00 C ATOM 94 C LYS A 6 49.306 50.411 28.430 1.00 0.00 C ATOM 95 O LYS A 6 49.200 49.230 28.108 1.00 0.00 O ATOM 96 CB LYS A 6 47.645 51.106 30.255 1.00 0.00 C ATOM 97 CG LYS A 6 48.691 51.705 31.191 1.00 0.00 C ATOM 98 CD LYS A 6 48.179 51.808 32.625 1.00 0.00 C ATOM 99 CE LYS A 6 49.284 52.332 33.536 1.00 0.00 C ATOM 100 NZ LYS A 6 48.784 52.662 34.879 1.00 0.00 N ATOM 0 H LYS A 6 46.531 49.939 28.193 1.00 0.00 H new ATOM 0 HA LYS A 6 48.319 52.257 28.618 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.693 51.616 30.403 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.489 50.058 30.511 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.591 51.091 31.170 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.973 52.696 30.834 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.317 52.474 32.665 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.844 50.830 32.971 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.072 51.583 33.617 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.732 53.219 33.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.568 53.014 35.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.050 53.395 34.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.380 51.810 35.318 1.00 0.00 H new ATOM 114 N THR A 7 50.478 51.040 28.458 1.00 0.00 N ATOM 115 CA THR A 7 51.731 50.462 28.016 1.00 0.00 C ATOM 116 C THR A 7 52.736 50.264 29.152 1.00 0.00 C ATOM 117 O THR A 7 52.658 50.923 30.187 1.00 0.00 O ATOM 118 CB THR A 7 52.364 51.312 26.918 1.00 0.00 C ATOM 119 OG1 THR A 7 52.821 52.538 27.443 1.00 0.00 O ATOM 120 CG2 THR A 7 51.413 51.638 25.771 1.00 0.00 C ATOM 0 H THR A 7 50.578 51.995 28.801 1.00 0.00 H new ATOM 0 HA THR A 7 51.484 49.475 27.624 1.00 0.00 H new ATOM 0 HB THR A 7 53.183 50.708 26.528 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.773 52.648 27.237 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.932 52.244 25.029 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.071 50.713 25.308 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.555 52.190 26.155 1.00 0.00 H new ATOM 128 N LEU A 8 53.746 49.422 28.949 1.00 0.00 N ATOM 129 CA LEU A 8 54.887 49.326 29.837 1.00 0.00 C ATOM 130 C LEU A 8 55.821 50.532 29.717 1.00 0.00 C ATOM 131 O LEU A 8 56.488 50.880 30.689 1.00 0.00 O ATOM 132 CB LEU A 8 55.575 47.983 29.614 1.00 0.00 C ATOM 133 CG LEU A 8 56.688 47.645 30.603 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.220 47.638 32.056 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.240 46.255 30.298 1.00 0.00 C ATOM 0 H LEU A 8 53.790 48.784 28.154 1.00 0.00 H new ATOM 0 HA LEU A 8 54.548 49.358 30.872 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.822 47.196 29.658 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.991 47.970 28.607 1.00 0.00 H new ATOM 0 HG LEU A 8 57.443 48.422 30.486 1.00 0.00 H new ATOM 0 HD11 LEU A 8 57.058 47.391 32.707 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.835 48.623 32.319 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.432 46.895 32.181 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.034 46.016 31.005 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.441 45.519 30.387 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.639 46.237 29.284 1.00 0.00 H new ATOM 147 N THR A 9 55.776 51.274 28.615 1.00 0.00 N ATOM 148 CA THR A 9 56.297 52.623 28.515 1.00 0.00 C ATOM 149 C THR A 9 55.514 53.665 29.318 1.00 0.00 C ATOM 150 O THR A 9 55.895 54.833 29.351 1.00 0.00 O ATOM 151 CB THR A 9 56.466 53.083 27.070 1.00 0.00 C ATOM 152 OG1 THR A 9 55.238 53.070 26.378 1.00 0.00 O ATOM 153 CG2 THR A 9 57.445 52.222 26.277 1.00 0.00 C ATOM 0 H THR A 9 55.363 50.939 27.745 1.00 0.00 H new ATOM 0 HA THR A 9 57.283 52.556 28.974 1.00 0.00 H new ATOM 0 HB THR A 9 56.860 54.097 27.144 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.379 53.371 25.456 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.520 52.601 25.258 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.426 52.257 26.751 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.089 51.192 26.255 1.00 0.00 H new ATOM 161 N GLY A 10 54.452 53.269 30.013 1.00 0.00 N ATOM 162 CA GLY A 10 53.770 54.035 31.038 1.00 0.00 C ATOM 163 C GLY A 10 52.638 54.950 30.564 1.00 0.00 C ATOM 164 O GLY A 10 52.001 55.577 31.408 1.00 0.00 O ATOM 0 H GLY A 10 54.025 52.355 29.864 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.362 53.338 31.770 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.509 54.646 31.556 1.00 0.00 H new ATOM 168 N LYS A 11 52.373 55.039 29.264 1.00 0.00 N ATOM 169 CA LYS A 11 51.375 55.933 28.713 1.00 0.00 C ATOM 170 C LYS A 11 49.993 55.291 28.574 1.00 0.00 C ATOM 171 O LYS A 11 49.884 54.070 28.492 1.00 0.00 O ATOM 172 CB LYS A 11 51.853 56.560 27.407 1.00 0.00 C ATOM 173 CG LYS A 11 51.995 55.574 26.250 1.00 0.00 C ATOM 174 CD LYS A 11 52.119 56.296 24.912 1.00 0.00 C ATOM 175 CE LYS A 11 52.274 55.260 23.802 1.00 0.00 C ATOM 176 NZ LYS A 11 52.369 55.895 22.478 1.00 0.00 N ATOM 0 H LYS A 11 52.855 54.482 28.559 1.00 0.00 H new ATOM 0 HA LYS A 11 51.248 56.735 29.440 1.00 0.00 H new ATOM 0 HB2 LYS A 11 51.153 57.344 27.117 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.816 57.040 27.580 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.873 54.948 26.410 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.130 54.911 26.228 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.237 56.911 24.733 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.978 56.967 24.924 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.167 54.662 23.984 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.424 54.578 23.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.863 55.257 21.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.413 56.091 22.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.898 56.787 22.558 1.00 0.00 H new ATOM 190 N THR A 12 48.968 56.130 28.458 1.00 0.00 N ATOM 191 CA THR A 12 47.660 55.766 27.952 1.00 0.00 C ATOM 192 C THR A 12 47.519 56.168 26.483 1.00 0.00 C ATOM 193 O THR A 12 48.059 57.183 26.049 1.00 0.00 O ATOM 194 CB THR A 12 46.534 56.339 28.806 1.00 0.00 C ATOM 195 OG1 THR A 12 46.704 55.988 30.162 1.00 0.00 O ATOM 196 CG2 THR A 12 45.157 55.796 28.434 1.00 0.00 C ATOM 0 H THR A 12 49.033 57.113 28.724 1.00 0.00 H new ATOM 0 HA THR A 12 47.572 54.681 28.014 1.00 0.00 H new ATOM 0 HB THR A 12 46.582 57.414 28.633 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.972 56.367 30.692 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.402 56.245 29.080 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.938 56.041 27.395 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.146 54.713 28.561 1.00 0.00 H new ATOM 204 N ILE A 13 46.783 55.376 25.709 1.00 0.00 N ATOM 205 CA ILE A 13 46.402 55.611 24.330 1.00 0.00 C ATOM 206 C ILE A 13 44.917 55.282 24.169 1.00 0.00 C ATOM 207 O ILE A 13 44.453 54.293 24.735 1.00 0.00 O ATOM 208 CB ILE A 13 47.210 54.772 23.344 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.611 54.371 23.797 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.266 55.510 22.010 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.309 53.395 22.855 1.00 0.00 C ATOM 0 H ILE A 13 46.414 54.492 26.059 1.00 0.00 H new ATOM 0 HA ILE A 13 46.604 56.658 24.104 1.00 0.00 H new ATOM 0 HB ILE A 13 46.685 53.821 23.259 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.222 55.268 23.893 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.547 53.922 24.788 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.841 54.923 21.293 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.254 55.655 21.632 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.743 56.480 22.150 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.299 53.158 23.245 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.721 52.480 22.778 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.406 53.848 21.868 1.00 0.00 H new ATOM 223 N THR A 14 44.173 56.040 23.370 1.00 0.00 N ATOM 224 CA THR A 14 42.809 55.715 23.002 1.00 0.00 C ATOM 225 C THR A 14 42.779 54.975 21.663 1.00 0.00 C ATOM 226 O THR A 14 43.522 55.331 20.752 1.00 0.00 O ATOM 227 CB THR A 14 41.935 56.965 22.962 1.00 0.00 C ATOM 228 OG1 THR A 14 42.000 57.642 24.197 1.00 0.00 O ATOM 229 CG2 THR A 14 40.458 56.648 22.752 1.00 0.00 C ATOM 0 H THR A 14 44.510 56.909 22.956 1.00 0.00 H new ATOM 0 HA THR A 14 42.398 55.055 23.766 1.00 0.00 H new ATOM 0 HB THR A 14 42.315 57.559 22.131 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.437 58.444 24.161 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.886 57.576 22.732 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.330 56.122 21.806 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.101 56.019 23.568 1.00 0.00 H new ATOM 237 N LEU A 15 41.941 53.949 21.537 1.00 0.00 N ATOM 238 CA LEU A 15 41.763 53.172 20.328 1.00 0.00 C ATOM 239 C LEU A 15 40.284 53.007 19.975 1.00 0.00 C ATOM 240 O LEU A 15 39.471 52.781 20.869 1.00 0.00 O ATOM 241 CB LEU A 15 42.458 51.826 20.519 1.00 0.00 C ATOM 242 CG LEU A 15 42.894 51.140 19.227 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.160 51.774 18.656 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.201 49.670 19.498 1.00 0.00 C ATOM 0 H LEU A 15 41.350 53.630 22.305 1.00 0.00 H new ATOM 0 HA LEU A 15 42.213 53.696 19.485 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.335 51.972 21.150 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.785 51.159 21.058 1.00 0.00 H new ATOM 0 HG LEU A 15 42.077 51.248 18.514 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.441 51.260 17.737 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.975 52.827 18.442 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.969 51.688 19.382 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.512 49.186 18.572 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.003 49.595 20.233 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.308 49.177 19.883 1.00 0.00 H new ATOM 256 N GLU A 16 39.932 53.096 18.696 1.00 0.00 N ATOM 257 CA GLU A 16 38.582 52.920 18.201 1.00 0.00 C ATOM 258 C GLU A 16 38.355 51.490 17.707 1.00 0.00 C ATOM 259 O GLU A 16 38.895 51.065 16.688 1.00 0.00 O ATOM 260 CB GLU A 16 38.282 53.933 17.098 1.00 0.00 C ATOM 261 CG GLU A 16 38.032 55.342 17.625 1.00 0.00 C ATOM 262 CD GLU A 16 36.589 55.635 18.041 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.735 54.726 18.124 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.291 56.832 18.245 1.00 0.00 O ATOM 0 H GLU A 16 40.604 53.299 17.956 1.00 0.00 H new ATOM 0 HA GLU A 16 37.893 53.096 19.027 1.00 0.00 H new ATOM 0 HB2 GLU A 16 39.118 53.957 16.399 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.408 53.602 16.538 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.682 55.513 18.483 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.324 56.057 16.856 1.00 0.00 H new ATOM 271 N VAL A 17 37.540 50.736 18.438 1.00 0.00 N ATOM 272 CA VAL A 17 37.288 49.324 18.233 1.00 0.00 C ATOM 273 C VAL A 17 35.795 49.010 18.114 1.00 0.00 C ATOM 274 O VAL A 17 34.948 49.843 18.424 1.00 0.00 O ATOM 275 CB VAL A 17 37.940 48.482 19.327 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.457 48.641 19.330 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.385 48.802 20.713 1.00 0.00 C ATOM 0 H VAL A 17 37.015 51.116 19.225 1.00 0.00 H new ATOM 0 HA VAL A 17 37.746 49.058 17.280 1.00 0.00 H new ATOM 0 HB VAL A 17 37.696 47.445 19.096 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.886 48.027 20.122 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.858 48.324 18.367 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.713 49.686 19.503 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.880 48.177 21.456 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.565 49.852 20.943 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.313 48.605 20.730 1.00 0.00 H new ATOM 287 N GLU A 18 35.478 47.798 17.666 1.00 0.00 N ATOM 288 CA GLU A 18 34.179 47.173 17.813 1.00 0.00 C ATOM 289 C GLU A 18 34.260 46.045 18.843 1.00 0.00 C ATOM 290 O GLU A 18 35.282 45.365 18.894 1.00 0.00 O ATOM 291 CB GLU A 18 33.687 46.560 16.505 1.00 0.00 C ATOM 292 CG GLU A 18 33.830 47.409 15.245 1.00 0.00 C ATOM 293 CD GLU A 18 33.190 48.797 15.320 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.222 49.013 16.080 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.679 49.688 14.592 1.00 0.00 O ATOM 0 H GLU A 18 36.148 47.207 17.173 1.00 0.00 H new ATOM 0 HA GLU A 18 33.487 47.954 18.128 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.224 45.625 16.346 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.634 46.306 16.625 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.891 47.527 15.024 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.388 46.867 14.409 1.00 0.00 H new ATOM 302 N PRO A 19 33.197 45.724 19.576 1.00 0.00 N ATOM 303 CA PRO A 19 33.136 44.504 20.356 1.00 0.00 C ATOM 304 C PRO A 19 33.414 43.236 19.548 1.00 0.00 C ATOM 305 O PRO A 19 33.972 42.277 20.078 1.00 0.00 O ATOM 306 CB PRO A 19 31.738 44.481 20.968 1.00 0.00 C ATOM 307 CG PRO A 19 31.378 45.961 21.062 1.00 0.00 C ATOM 308 CD PRO A 19 32.018 46.535 19.801 1.00 0.00 C ATOM 0 HA PRO A 19 33.922 44.507 21.112 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.033 43.933 20.343 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.734 44.002 21.947 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.299 46.116 21.077 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.779 46.420 21.966 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.335 46.482 18.953 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.281 47.584 19.934 1.00 0.00 H new ATOM 316 N SER A 20 33.085 43.215 18.260 1.00 0.00 N ATOM 317 CA SER A 20 33.367 42.112 17.364 1.00 0.00 C ATOM 318 C SER A 20 34.767 42.105 16.749 1.00 0.00 C ATOM 319 O SER A 20 35.047 41.241 15.921 1.00 0.00 O ATOM 320 CB SER A 20 32.305 42.046 16.270 1.00 0.00 C ATOM 321 OG SER A 20 32.296 43.207 15.469 1.00 0.00 O ATOM 0 H SER A 20 32.602 43.989 17.804 1.00 0.00 H new ATOM 0 HA SER A 20 33.336 41.220 17.990 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.486 41.174 15.642 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.324 41.913 16.725 1.00 0.00 H new ATOM 0 HG SER A 20 31.604 43.124 14.780 1.00 0.00 H new ATOM 327 N ASP A 21 35.652 43.035 17.100 1.00 0.00 N ATOM 328 CA ASP A 21 37.016 43.019 16.610 1.00 0.00 C ATOM 329 C ASP A 21 37.805 41.861 17.224 1.00 0.00 C ATOM 330 O ASP A 21 37.867 41.701 18.442 1.00 0.00 O ATOM 331 CB ASP A 21 37.740 44.339 16.855 1.00 0.00 C ATOM 332 CG ASP A 21 37.325 45.480 15.925 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.636 46.650 16.238 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.754 45.225 14.842 1.00 0.00 O ATOM 0 H ASP A 21 35.441 43.812 17.727 1.00 0.00 H new ATOM 0 HA ASP A 21 36.957 42.876 15.531 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.565 44.647 17.886 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.812 44.174 16.749 1.00 0.00 H new ATOM 339 N THR A 22 38.442 41.072 16.363 1.00 0.00 N ATOM 340 CA THR A 22 39.354 40.003 16.721 1.00 0.00 C ATOM 341 C THR A 22 40.660 40.582 17.269 1.00 0.00 C ATOM 342 O THR A 22 41.124 41.619 16.798 1.00 0.00 O ATOM 343 CB THR A 22 39.614 39.105 15.516 1.00 0.00 C ATOM 344 OG1 THR A 22 38.391 38.657 14.977 1.00 0.00 O ATOM 345 CG2 THR A 22 40.408 37.842 15.840 1.00 0.00 C ATOM 0 H THR A 22 38.328 41.169 15.354 1.00 0.00 H new ATOM 0 HA THR A 22 38.899 39.396 17.503 1.00 0.00 H new ATOM 0 HB THR A 22 40.190 39.723 14.827 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.566 38.082 14.203 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.550 37.258 14.931 1.00 0.00 H new ATOM 0 HG22 THR A 22 41.380 38.118 16.250 1.00 0.00 H new ATOM 0 HG23 THR A 22 39.862 37.247 16.572 1.00 0.00 H new ATOM 353 N ILE A 23 41.300 39.910 18.221 1.00 0.00 N ATOM 354 CA ILE A 23 42.507 40.380 18.872 1.00 0.00 C ATOM 355 C ILE A 23 43.637 40.681 17.886 1.00 0.00 C ATOM 356 O ILE A 23 44.349 41.665 18.072 1.00 0.00 O ATOM 357 CB ILE A 23 42.887 39.404 19.981 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.965 39.516 21.192 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.350 39.480 20.410 1.00 0.00 C ATOM 360 CD1 ILE A 23 42.076 40.786 22.031 1.00 0.00 C ATOM 0 H ILE A 23 40.983 39.004 18.565 1.00 0.00 H new ATOM 0 HA ILE A 23 42.311 41.347 19.334 1.00 0.00 H new ATOM 0 HB ILE A 23 42.751 38.420 19.533 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.936 39.429 20.844 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.155 38.662 21.843 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.535 38.754 21.201 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.991 39.258 19.557 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.570 40.482 20.778 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.368 40.738 22.858 1.00 0.00 H new ATOM 0 HD12 ILE A 23 43.089 40.875 22.424 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.851 41.653 21.410 1.00 0.00 H new ATOM 372 N GLU A 24 43.768 39.940 16.789 1.00 0.00 N ATOM 373 CA GLU A 24 44.699 40.255 15.724 1.00 0.00 C ATOM 374 C GLU A 24 44.468 41.630 15.093 1.00 0.00 C ATOM 375 O GLU A 24 45.418 42.374 14.865 1.00 0.00 O ATOM 376 CB GLU A 24 44.610 39.202 14.623 1.00 0.00 C ATOM 377 CG GLU A 24 45.066 37.820 15.084 1.00 0.00 C ATOM 378 CD GLU A 24 45.330 36.909 13.884 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.351 37.114 13.193 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.522 35.995 13.613 1.00 0.00 O ATOM 0 H GLU A 24 43.222 39.096 16.618 1.00 0.00 H new ATOM 0 HA GLU A 24 45.686 40.265 16.186 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.581 39.140 14.269 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.220 39.517 13.776 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.972 37.912 15.683 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.304 37.375 15.724 1.00 0.00 H new ATOM 387 N ASN A 25 43.210 41.986 14.850 1.00 0.00 N ATOM 388 CA ASN A 25 42.821 43.253 14.263 1.00 0.00 C ATOM 389 C ASN A 25 42.996 44.404 15.256 1.00 0.00 C ATOM 390 O ASN A 25 43.420 45.486 14.858 1.00 0.00 O ATOM 391 CB ASN A 25 41.397 43.150 13.726 1.00 0.00 C ATOM 392 CG ASN A 25 41.303 42.173 12.551 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.095 40.973 12.716 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.480 42.656 11.325 1.00 0.00 N ATOM 0 H ASN A 25 42.416 41.382 15.063 1.00 0.00 H new ATOM 0 HA ASN A 25 43.479 43.479 13.424 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.730 42.824 14.524 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.056 44.135 13.408 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.443 42.030 10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.653 43.652 11.189 1.00 0.00 H new ATOM 401 N VAL A 26 42.789 44.181 16.550 1.00 0.00 N ATOM 402 CA VAL A 26 43.109 45.155 17.574 1.00 0.00 C ATOM 403 C VAL A 26 44.608 45.463 17.590 1.00 0.00 C ATOM 404 O VAL A 26 44.990 46.631 17.586 1.00 0.00 O ATOM 405 CB VAL A 26 42.605 44.721 18.948 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.898 45.764 20.022 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.095 44.498 18.942 1.00 0.00 C ATOM 0 H VAL A 26 42.393 43.314 16.914 1.00 0.00 H new ATOM 0 HA VAL A 26 42.585 46.078 17.325 1.00 0.00 H new ATOM 0 HB VAL A 26 43.132 43.794 19.174 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.522 45.413 20.983 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.974 45.924 20.090 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.408 46.702 19.762 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.769 44.190 19.935 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.591 45.424 18.666 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.845 43.720 18.221 1.00 0.00 H new ATOM 417 N LYS A 27 45.468 44.453 17.491 1.00 0.00 N ATOM 418 CA LYS A 27 46.901 44.631 17.371 1.00 0.00 C ATOM 419 C LYS A 27 47.307 45.371 16.095 1.00 0.00 C ATOM 420 O LYS A 27 48.230 46.183 16.118 1.00 0.00 O ATOM 421 CB LYS A 27 47.597 43.278 17.476 1.00 0.00 C ATOM 422 CG LYS A 27 47.470 42.620 18.847 1.00 0.00 C ATOM 423 CD LYS A 27 47.950 41.172 18.798 1.00 0.00 C ATOM 424 CE LYS A 27 47.899 40.529 20.181 1.00 0.00 C ATOM 425 NZ LYS A 27 48.363 39.134 20.136 1.00 0.00 N ATOM 0 H LYS A 27 45.178 43.475 17.493 1.00 0.00 H new ATOM 0 HA LYS A 27 47.224 45.267 18.195 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.182 42.608 16.723 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.654 43.405 17.242 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.055 43.177 19.579 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.432 42.653 19.177 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.329 40.603 18.106 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.970 41.136 18.414 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.519 41.099 20.873 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.879 40.564 20.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.042 38.634 20.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.974 38.666 19.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.402 39.115 20.094 1.00 0.00 H new ATOM 439 N ALA A 28 46.602 45.149 14.989 1.00 0.00 N ATOM 440 CA ALA A 28 46.797 45.878 13.751 1.00 0.00 C ATOM 441 C ALA A 28 46.312 47.328 13.810 1.00 0.00 C ATOM 442 O ALA A 28 46.909 48.205 13.189 1.00 0.00 O ATOM 443 CB ALA A 28 46.116 45.111 12.621 1.00 0.00 C ATOM 0 H ALA A 28 45.867 44.444 14.933 1.00 0.00 H new ATOM 0 HA ALA A 28 47.870 45.947 13.569 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.254 45.647 11.682 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.556 44.117 12.539 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.051 45.020 12.833 1.00 0.00 H new ATOM 449 N LYS A 29 45.271 47.631 14.579 1.00 0.00 N ATOM 450 CA LYS A 29 44.833 48.984 14.856 1.00 0.00 C ATOM 451 C LYS A 29 45.836 49.749 15.722 1.00 0.00 C ATOM 452 O LYS A 29 45.988 50.953 15.531 1.00 0.00 O ATOM 453 CB LYS A 29 43.453 48.962 15.506 1.00 0.00 C ATOM 454 CG LYS A 29 42.339 48.639 14.513 1.00 0.00 C ATOM 455 CD LYS A 29 40.979 48.645 15.204 1.00 0.00 C ATOM 456 CE LYS A 29 39.857 48.625 14.171 1.00 0.00 C ATOM 457 NZ LYS A 29 38.551 48.804 14.825 1.00 0.00 N ATOM 0 H LYS A 29 44.698 46.921 15.035 1.00 0.00 H new ATOM 0 HA LYS A 29 44.770 49.516 13.906 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.445 48.223 16.307 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.256 49.931 15.964 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.344 49.369 13.704 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.519 47.663 14.063 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.893 47.779 15.860 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.887 49.531 15.833 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.015 49.417 13.438 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.872 47.680 13.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.801 48.822 14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.381 48.016 15.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.546 49.701 15.351 1.00 0.00 H new ATOM 471 N ILE A 30 46.538 49.064 16.620 1.00 0.00 N ATOM 472 CA ILE A 30 47.646 49.608 17.380 1.00 0.00 C ATOM 473 C ILE A 30 48.834 49.905 16.464 1.00 0.00 C ATOM 474 O ILE A 30 49.383 51.001 16.553 1.00 0.00 O ATOM 475 CB ILE A 30 47.986 48.697 18.556 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.858 48.727 19.583 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.311 49.071 19.212 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.933 47.650 20.662 1.00 0.00 C ATOM 0 H ILE A 30 46.342 48.088 16.841 1.00 0.00 H new ATOM 0 HA ILE A 30 47.357 50.565 17.814 1.00 0.00 H new ATOM 0 HB ILE A 30 48.096 47.685 18.166 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.854 49.704 20.067 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.908 48.628 19.058 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.509 48.394 20.043 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.115 48.992 18.480 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.257 50.095 19.582 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.088 47.757 21.342 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.902 46.665 20.196 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.863 47.758 21.220 1.00 0.00 H new ATOM 490 N GLN A 31 49.209 49.003 15.562 1.00 0.00 N ATOM 491 CA GLN A 31 50.292 49.197 14.619 1.00 0.00 C ATOM 492 C GLN A 31 50.162 50.495 13.820 1.00 0.00 C ATOM 493 O GLN A 31 51.163 51.175 13.605 1.00 0.00 O ATOM 494 CB GLN A 31 50.384 48.008 13.667 1.00 0.00 C ATOM 495 CG GLN A 31 51.548 48.109 12.684 1.00 0.00 C ATOM 496 CD GLN A 31 51.546 47.002 11.628 1.00 0.00 C ATOM 497 OE1 GLN A 31 52.486 46.221 11.501 1.00 0.00 O ATOM 498 NE2 GLN A 31 50.515 46.922 10.791 1.00 0.00 N ATOM 0 H GLN A 31 48.753 48.095 15.469 1.00 0.00 H new ATOM 0 HA GLN A 31 51.207 49.274 15.206 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.488 47.093 14.249 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.452 47.926 13.108 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.510 49.077 12.185 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.486 48.072 13.238 1.00 0.00 H new ATOM 0 HE21 GLN A 31 49.729 47.565 10.887 1.00 0.00 H new ATOM 0 HE22 GLN A 31 50.510 46.218 10.053 1.00 0.00 H new ATOM 507 N ASP A 32 48.950 50.862 13.415 1.00 0.00 N ATOM 508 CA ASP A 32 48.670 52.043 12.623 1.00 0.00 C ATOM 509 C ASP A 32 49.164 53.340 13.268 1.00 0.00 C ATOM 510 O ASP A 32 49.759 54.173 12.585 1.00 0.00 O ATOM 511 CB ASP A 32 47.164 52.093 12.379 1.00 0.00 C ATOM 512 CG ASP A 32 46.757 53.169 11.370 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.596 54.343 11.767 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.538 52.818 10.191 1.00 0.00 O ATOM 0 H ASP A 32 48.112 50.325 13.639 1.00 0.00 H new ATOM 0 HA ASP A 32 49.217 51.967 11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.827 51.120 12.020 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.654 52.278 13.325 1.00 0.00 H new ATOM 519 N LYS A 33 48.962 53.504 14.572 1.00 0.00 N ATOM 520 CA LYS A 33 49.397 54.669 15.316 1.00 0.00 C ATOM 521 C LYS A 33 50.721 54.510 16.063 1.00 0.00 C ATOM 522 O LYS A 33 51.413 55.510 16.242 1.00 0.00 O ATOM 523 CB LYS A 33 48.272 55.214 16.191 1.00 0.00 C ATOM 524 CG LYS A 33 47.658 54.238 17.190 1.00 0.00 C ATOM 525 CD LYS A 33 46.749 54.934 18.199 1.00 0.00 C ATOM 526 CE LYS A 33 45.529 55.595 17.565 1.00 0.00 C ATOM 527 NZ LYS A 33 44.800 56.424 18.537 1.00 0.00 N ATOM 0 H LYS A 33 48.481 52.813 15.148 1.00 0.00 H new ATOM 0 HA LYS A 33 49.631 55.423 14.565 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.654 56.073 16.743 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.479 55.580 15.539 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.087 53.482 16.651 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.454 53.717 17.721 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.415 54.206 18.938 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.325 55.689 18.734 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.844 56.211 16.723 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.864 54.828 17.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.977 56.859 18.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.479 55.830 19.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.429 57.170 18.897 1.00 0.00 H new ATOM 541 N GLU A 34 51.120 53.305 16.461 1.00 0.00 N ATOM 542 CA GLU A 34 52.313 53.073 17.251 1.00 0.00 C ATOM 543 C GLU A 34 53.544 52.615 16.465 1.00 0.00 C ATOM 544 O GLU A 34 54.647 52.735 16.994 1.00 0.00 O ATOM 545 CB GLU A 34 52.022 52.060 18.355 1.00 0.00 C ATOM 546 CG GLU A 34 51.112 52.586 19.461 1.00 0.00 C ATOM 547 CD GLU A 34 51.753 53.781 20.169 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.776 53.613 20.867 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.292 54.930 19.996 1.00 0.00 O ATOM 0 H GLU A 34 50.610 52.451 16.236 1.00 0.00 H new ATOM 0 HA GLU A 34 52.568 54.051 17.659 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.563 51.177 17.911 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.965 51.740 18.797 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.151 52.880 19.039 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.914 51.794 20.183 1.00 0.00 H new ATOM 556 N GLY A 35 53.396 52.062 15.265 1.00 0.00 N ATOM 557 CA GLY A 35 54.499 51.494 14.517 1.00 0.00 C ATOM 558 C GLY A 35 55.012 50.147 15.031 1.00 0.00 C ATOM 559 O GLY A 35 56.072 49.696 14.604 1.00 0.00 O ATOM 0 H GLY A 35 52.498 51.998 14.786 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.189 51.374 13.479 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.325 52.205 14.523 1.00 0.00 H new ATOM 563 N ILE A 36 54.290 49.502 15.943 1.00 0.00 N ATOM 564 CA ILE A 36 54.639 48.246 16.576 1.00 0.00 C ATOM 565 C ILE A 36 54.004 47.095 15.792 1.00 0.00 C ATOM 566 O ILE A 36 52.777 47.066 15.721 1.00 0.00 O ATOM 567 CB ILE A 36 54.182 48.247 18.032 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.845 49.360 18.840 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.460 46.899 18.689 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.238 49.578 20.224 1.00 0.00 C ATOM 0 H ILE A 36 53.397 49.867 16.274 1.00 0.00 H new ATOM 0 HA ILE A 36 55.721 48.115 16.570 1.00 0.00 H new ATOM 0 HB ILE A 36 53.107 48.429 18.025 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.904 49.130 18.953 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.779 50.291 18.277 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.126 46.924 19.726 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.923 46.116 18.154 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.530 46.693 18.657 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.767 50.385 20.730 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.185 49.842 20.122 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.328 48.663 20.809 1.00 0.00 H new ATOM 582 N PRO A 37 54.749 46.139 15.247 1.00 0.00 N ATOM 583 CA PRO A 37 54.178 45.014 14.532 1.00 0.00 C ATOM 584 C PRO A 37 53.225 44.185 15.395 1.00 0.00 C ATOM 585 O PRO A 37 53.524 43.952 16.564 1.00 0.00 O ATOM 586 CB PRO A 37 55.351 44.164 14.051 1.00 0.00 C ATOM 587 CG PRO A 37 56.523 45.140 14.031 1.00 0.00 C ATOM 588 CD PRO A 37 56.195 46.084 15.185 1.00 0.00 C ATOM 0 HA PRO A 37 53.574 45.376 13.700 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.540 43.326 14.722 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.163 43.745 13.063 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.475 44.632 14.182 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.592 45.670 13.081 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.613 45.717 16.122 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.618 47.074 15.013 1.00 0.00 H new ATOM 596 N PRO A 38 52.104 43.699 14.869 1.00 0.00 N ATOM 597 CA PRO A 38 51.156 42.923 15.642 1.00 0.00 C ATOM 598 C PRO A 38 51.751 41.625 16.191 1.00 0.00 C ATOM 599 O PRO A 38 51.417 41.223 17.303 1.00 0.00 O ATOM 600 CB PRO A 38 49.972 42.666 14.715 1.00 0.00 C ATOM 601 CG PRO A 38 50.591 42.734 13.322 1.00 0.00 C ATOM 602 CD PRO A 38 51.651 43.818 13.498 1.00 0.00 C ATOM 0 HA PRO A 38 50.852 43.471 16.533 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.517 41.694 14.905 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.191 43.415 14.844 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.028 41.781 13.023 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.857 43.001 12.562 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.475 43.678 12.799 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.236 44.807 13.307 1.00 0.00 H new ATOM 610 N ASP A 39 52.702 41.016 15.487 1.00 0.00 N ATOM 611 CA ASP A 39 53.374 39.793 15.875 1.00 0.00 C ATOM 612 C ASP A 39 54.367 39.943 17.029 1.00 0.00 C ATOM 613 O ASP A 39 54.997 38.960 17.413 1.00 0.00 O ATOM 614 CB ASP A 39 54.006 39.156 14.640 1.00 0.00 C ATOM 615 CG ASP A 39 55.087 40.038 14.012 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.720 40.966 13.259 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.286 39.801 14.273 1.00 0.00 O ATOM 0 H ASP A 39 53.034 41.382 14.595 1.00 0.00 H new ATOM 0 HA ASP A 39 52.614 39.127 16.284 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.440 38.194 14.913 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.230 38.957 13.901 1.00 0.00 H new ATOM 622 N GLN A 40 54.499 41.135 17.604 1.00 0.00 N ATOM 623 CA GLN A 40 55.290 41.437 18.779 1.00 0.00 C ATOM 624 C GLN A 40 54.453 41.682 20.037 1.00 0.00 C ATOM 625 O GLN A 40 54.993 41.703 21.140 1.00 0.00 O ATOM 626 CB GLN A 40 56.165 42.642 18.448 1.00 0.00 C ATOM 627 CG GLN A 40 57.330 42.905 19.397 1.00 0.00 C ATOM 628 CD GLN A 40 58.449 41.868 19.270 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.326 40.725 19.702 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.578 42.229 18.667 1.00 0.00 N ATOM 0 H GLN A 40 54.026 41.960 17.236 1.00 0.00 H new ATOM 0 HA GLN A 40 55.900 40.567 19.021 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.564 42.510 17.442 1.00 0.00 H new ATOM 0 HB3 GLN A 40 55.533 43.530 18.426 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.737 43.897 19.199 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.962 42.911 20.423 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.683 43.178 18.307 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.339 41.557 18.564 1.00 0.00 H new ATOM 639 N GLN A 41 53.147 41.893 19.900 1.00 0.00 N ATOM 640 CA GLN A 41 52.277 42.395 20.945 1.00 0.00 C ATOM 641 C GLN A 41 51.572 41.275 21.715 1.00 0.00 C ATOM 642 O GLN A 41 51.022 40.368 21.096 1.00 0.00 O ATOM 643 CB GLN A 41 51.221 43.318 20.343 1.00 0.00 C ATOM 644 CG GLN A 41 51.736 44.541 19.589 1.00 0.00 C ATOM 645 CD GLN A 41 50.602 45.320 18.920 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.483 45.401 19.421 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.795 45.902 17.740 1.00 0.00 N ATOM 0 H GLN A 41 52.654 41.711 19.026 1.00 0.00 H new ATOM 0 HA GLN A 41 52.910 42.937 21.647 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.604 42.732 19.662 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.570 43.662 21.147 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.268 45.196 20.280 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.454 44.225 18.833 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.710 45.856 17.292 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.028 46.394 17.282 1.00 0.00 H new ATOM 656 N ARG A 42 51.458 41.400 23.034 1.00 0.00 N ATOM 657 CA ARG A 42 50.495 40.679 23.842 1.00 0.00 C ATOM 658 C ARG A 42 49.590 41.664 24.585 1.00 0.00 C ATOM 659 O ARG A 42 50.080 42.587 25.234 1.00 0.00 O ATOM 660 CB ARG A 42 51.169 39.717 24.815 1.00 0.00 C ATOM 661 CG ARG A 42 51.919 38.550 24.180 1.00 0.00 C ATOM 662 CD ARG A 42 51.052 37.441 23.589 1.00 0.00 C ATOM 663 NE ARG A 42 50.401 36.638 24.625 1.00 0.00 N ATOM 664 CZ ARG A 42 49.407 35.750 24.487 1.00 0.00 C ATOM 665 NH1 ARG A 42 48.772 35.548 23.324 1.00 0.00 N ATOM 666 NH2 ARG A 42 48.980 35.030 25.534 1.00 0.00 N ATOM 0 H ARG A 42 52.052 42.024 23.580 1.00 0.00 H new ATOM 0 HA ARG A 42 49.885 40.074 23.171 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.869 40.283 25.430 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.409 39.315 25.485 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.561 38.942 23.391 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.573 38.111 24.933 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.293 37.881 22.942 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.668 36.795 22.964 1.00 0.00 H new ATOM 0 HE ARG A 42 50.749 36.772 25.575 1.00 0.00 H new ATOM 0 HH11 ARG A 42 49.040 36.081 22.497 1.00 0.00 H new ATOM 0 HH12 ARG A 42 48.020 34.861 23.266 1.00 0.00 H new ATOM 0 HH21 ARG A 42 49.413 35.155 26.449 1.00 0.00 H new ATOM 0 HH22 ARG A 42 48.222 34.357 25.415 1.00 0.00 H new ATOM 680 N LEU A 43 48.280 41.464 24.482 1.00 0.00 N ATOM 681 CA LEU A 43 47.268 42.268 25.138 1.00 0.00 C ATOM 682 C LEU A 43 46.776 41.589 26.417 1.00 0.00 C ATOM 683 O LEU A 43 46.745 40.361 26.466 1.00 0.00 O ATOM 684 CB LEU A 43 46.116 42.559 24.179 1.00 0.00 C ATOM 685 CG LEU A 43 46.517 43.181 22.844 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.275 43.454 22.000 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.287 44.489 22.997 1.00 0.00 C ATOM 0 H LEU A 43 47.886 40.710 23.919 1.00 0.00 H new ATOM 0 HA LEU A 43 47.713 43.220 25.426 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.586 41.627 23.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.412 43.227 24.675 1.00 0.00 H new ATOM 0 HG LEU A 43 47.174 42.459 22.359 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.571 43.898 21.050 1.00 0.00 H new ATOM 0 HD12 LEU A 43 44.748 42.518 21.815 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.617 44.142 22.532 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.542 44.879 22.011 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.669 45.215 23.526 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.201 44.309 23.563 1.00 0.00 H new ATOM 699 N ILE A 44 46.411 42.359 27.438 1.00 0.00 N ATOM 700 CA ILE A 44 46.105 41.868 28.766 1.00 0.00 C ATOM 701 C ILE A 44 44.862 42.547 29.344 1.00 0.00 C ATOM 702 O ILE A 44 44.824 43.772 29.444 1.00 0.00 O ATOM 703 CB ILE A 44 47.283 42.024 29.724 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.654 41.910 29.063 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.132 41.039 30.879 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.848 41.971 30.010 1.00 0.00 C ATOM 0 H ILE A 44 46.319 43.371 27.355 1.00 0.00 H new ATOM 0 HA ILE A 44 45.900 40.803 28.659 1.00 0.00 H new ATOM 0 HB ILE A 44 47.249 43.046 30.101 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.696 40.969 28.514 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.752 42.711 28.331 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.973 41.150 31.564 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.202 41.241 31.410 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.113 40.021 30.489 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.771 41.881 29.438 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.842 42.922 30.542 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.785 41.153 30.728 1.00 0.00 H new ATOM 718 N PHE A 45 43.870 41.766 29.762 1.00 0.00 N ATOM 719 CA PHE A 45 42.675 42.226 30.440 1.00 0.00 C ATOM 720 C PHE A 45 42.160 41.198 31.451 1.00 0.00 C ATOM 721 O PHE A 45 42.337 39.998 31.258 1.00 0.00 O ATOM 722 CB PHE A 45 41.590 42.565 29.421 1.00 0.00 C ATOM 723 CG PHE A 45 40.309 43.098 30.017 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.274 44.383 30.571 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.154 42.306 30.028 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.083 44.886 31.109 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.961 42.810 30.561 1.00 0.00 C ATOM 728 CZ PHE A 45 37.922 44.104 31.093 1.00 0.00 C ATOM 0 H PHE A 45 43.883 40.755 29.629 1.00 0.00 H new ATOM 0 HA PHE A 45 42.936 43.126 30.997 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.984 43.303 28.723 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.361 41.670 28.843 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.168 44.988 30.584 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.183 41.305 29.625 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.060 45.878 31.536 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.070 42.199 30.562 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.998 44.498 31.490 1.00 0.00 H new ATOM 738 N ALA A 46 41.522 41.657 32.524 1.00 0.00 N ATOM 739 CA ALA A 46 41.118 40.851 33.658 1.00 0.00 C ATOM 740 C ALA A 46 42.251 39.972 34.195 1.00 0.00 C ATOM 741 O ALA A 46 42.071 38.797 34.505 1.00 0.00 O ATOM 742 CB ALA A 46 39.818 40.115 33.350 1.00 0.00 C ATOM 0 H ALA A 46 41.265 42.639 32.625 1.00 0.00 H new ATOM 0 HA ALA A 46 40.898 41.512 34.496 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.527 39.514 34.211 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.033 40.839 33.131 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.963 39.466 32.487 1.00 0.00 H new ATOM 748 N GLY A 47 43.457 40.529 34.257 1.00 0.00 N ATOM 749 CA GLY A 47 44.664 39.888 34.737 1.00 0.00 C ATOM 750 C GLY A 47 45.329 38.886 33.793 1.00 0.00 C ATOM 751 O GLY A 47 46.469 38.508 34.052 1.00 0.00 O ATOM 0 H GLY A 47 43.621 41.490 33.957 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.390 40.665 34.976 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.429 39.374 35.669 1.00 0.00 H new ATOM 755 N LYS A 48 44.686 38.468 32.705 1.00 0.00 N ATOM 756 CA LYS A 48 45.143 37.420 31.815 1.00 0.00 C ATOM 757 C LYS A 48 45.458 37.945 30.413 1.00 0.00 C ATOM 758 O LYS A 48 44.822 38.880 29.932 1.00 0.00 O ATOM 759 CB LYS A 48 44.132 36.278 31.773 1.00 0.00 C ATOM 760 CG LYS A 48 43.788 35.640 33.116 1.00 0.00 C ATOM 761 CD LYS A 48 44.969 34.995 33.835 1.00 0.00 C ATOM 762 CE LYS A 48 44.504 34.247 35.083 1.00 0.00 C ATOM 763 NZ LYS A 48 45.612 33.533 35.734 1.00 0.00 N ATOM 0 H LYS A 48 43.796 38.871 32.413 1.00 0.00 H new ATOM 0 HA LYS A 48 46.080 37.034 32.215 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.211 36.650 31.324 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.518 35.502 31.112 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.357 36.402 33.765 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.019 34.884 32.958 1.00 0.00 H new ATOM 0 HD2 LYS A 48 45.478 34.306 33.161 1.00 0.00 H new ATOM 0 HD3 LYS A 48 45.693 35.761 34.114 1.00 0.00 H new ATOM 0 HE2 LYS A 48 44.063 34.953 35.787 1.00 0.00 H new ATOM 0 HE3 LYS A 48 43.723 33.537 34.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 45.258 33.037 36.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 46.017 32.842 35.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 46.346 34.214 36.016 1.00 0.00 H new ATOM 777 N GLN A 49 46.441 37.333 29.758 1.00 0.00 N ATOM 778 CA GLN A 49 46.792 37.645 28.388 1.00 0.00 C ATOM 779 C GLN A 49 45.745 37.105 27.411 1.00 0.00 C ATOM 780 O GLN A 49 45.190 36.031 27.635 1.00 0.00 O ATOM 781 CB GLN A 49 48.200 37.166 28.044 1.00 0.00 C ATOM 782 CG GLN A 49 49.291 37.793 28.909 1.00 0.00 C ATOM 783 CD GLN A 49 50.703 37.661 28.336 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.940 37.028 27.310 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.701 38.282 28.960 1.00 0.00 N ATOM 0 H GLN A 49 47.018 36.601 30.173 1.00 0.00 H new ATOM 0 HA GLN A 49 46.797 38.730 28.287 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.242 36.082 28.152 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.405 37.391 26.997 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.065 38.850 29.048 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.267 37.330 29.895 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.519 38.811 29.813 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.648 38.229 28.586 1.00 0.00 H new ATOM 794 N LEU A 50 45.447 37.844 26.347 1.00 0.00 N ATOM 795 CA LEU A 50 44.328 37.605 25.458 1.00 0.00 C ATOM 796 C LEU A 50 44.765 36.909 24.167 1.00 0.00 C ATOM 797 O LEU A 50 45.760 37.310 23.569 1.00 0.00 O ATOM 798 CB LEU A 50 43.625 38.926 25.160 1.00 0.00 C ATOM 799 CG LEU A 50 43.265 39.793 26.363 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.553 41.053 25.882 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.386 39.070 27.380 1.00 0.00 C ATOM 0 H LEU A 50 46.003 38.655 26.075 1.00 0.00 H new ATOM 0 HA LEU A 50 43.630 36.932 25.955 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.264 39.510 24.497 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.709 38.709 24.610 1.00 0.00 H new ATOM 0 HG LEU A 50 44.198 40.042 26.869 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.294 41.675 26.739 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.211 41.610 25.215 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.644 40.776 25.348 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.165 39.740 28.211 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.455 38.764 26.903 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.910 38.190 27.753 1.00 0.00 H new ATOM 813 N GLU A 51 44.030 35.900 23.712 1.00 0.00 N ATOM 814 CA GLU A 51 44.400 35.095 22.565 1.00 0.00 C ATOM 815 C GLU A 51 43.827 35.580 21.231 1.00 0.00 C ATOM 816 O GLU A 51 42.760 36.183 21.151 1.00 0.00 O ATOM 817 CB GLU A 51 44.092 33.617 22.788 1.00 0.00 C ATOM 818 CG GLU A 51 44.785 33.006 24.003 1.00 0.00 C ATOM 819 CD GLU A 51 46.293 33.258 24.079 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.995 33.382 23.052 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.816 33.330 25.211 1.00 0.00 O ATOM 0 H GLU A 51 43.148 35.618 24.140 1.00 0.00 H new ATOM 0 HA GLU A 51 45.479 35.220 22.479 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.015 33.496 22.900 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.385 33.059 21.899 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.319 33.401 24.906 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.611 31.930 24.000 1.00 0.00 H new ATOM 828 N ASP A 52 44.549 35.265 20.159 1.00 0.00 N ATOM 829 CA ASP A 52 44.369 35.810 18.828 1.00 0.00 C ATOM 830 C ASP A 52 43.110 35.308 18.117 1.00 0.00 C ATOM 831 O ASP A 52 42.632 35.951 17.185 1.00 0.00 O ATOM 832 CB ASP A 52 45.621 35.506 18.011 1.00 0.00 C ATOM 833 CG ASP A 52 46.859 36.177 18.609 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.033 37.403 18.445 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.658 35.472 19.263 1.00 0.00 O ATOM 0 H ASP A 52 45.311 34.589 20.203 1.00 0.00 H new ATOM 0 HA ASP A 52 44.223 36.886 18.925 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.776 34.428 17.968 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.480 35.849 16.986 1.00 0.00 H new ATOM 840 N GLY A 53 42.542 34.189 18.552 1.00 0.00 N ATOM 841 CA GLY A 53 41.364 33.580 17.967 1.00 0.00 C ATOM 842 C GLY A 53 40.018 34.127 18.447 1.00 0.00 C ATOM 843 O GLY A 53 38.988 33.605 18.031 1.00 0.00 O ATOM 0 H GLY A 53 42.905 33.667 19.349 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.417 33.699 16.885 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.393 32.510 18.172 1.00 0.00 H new ATOM 847 N ARG A 54 40.006 35.133 19.318 1.00 0.00 N ATOM 848 CA ARG A 54 38.837 35.629 20.015 1.00 0.00 C ATOM 849 C ARG A 54 38.618 37.124 19.775 1.00 0.00 C ATOM 850 O ARG A 54 39.540 37.831 19.372 1.00 0.00 O ATOM 851 CB ARG A 54 38.966 35.329 21.506 1.00 0.00 C ATOM 852 CG ARG A 54 39.404 33.918 21.889 1.00 0.00 C ATOM 853 CD ARG A 54 38.438 32.816 21.460 1.00 0.00 C ATOM 854 NE ARG A 54 37.377 32.603 22.445 1.00 0.00 N ATOM 855 CZ ARG A 54 36.154 32.093 22.252 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.662 31.783 21.046 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.381 31.869 23.325 1.00 0.00 N ATOM 0 H ARG A 54 40.854 35.644 19.564 1.00 0.00 H new ATOM 0 HA ARG A 54 37.961 35.116 19.618 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.679 36.034 21.934 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.003 35.525 21.977 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.380 33.721 21.445 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.531 33.872 22.971 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.994 33.077 20.499 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.989 31.887 21.314 1.00 0.00 H new ATOM 0 HE ARG A 54 37.597 32.879 23.402 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.228 31.933 20.211 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.722 31.397 20.963 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.729 32.087 24.259 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.445 31.481 23.207 1.00 0.00 H new ATOM 871 N THR A 55 37.407 37.608 20.036 1.00 0.00 N ATOM 872 CA THR A 55 37.063 39.014 19.966 1.00 0.00 C ATOM 873 C THR A 55 37.092 39.713 21.326 1.00 0.00 C ATOM 874 O THR A 55 37.099 39.068 22.373 1.00 0.00 O ATOM 875 CB THR A 55 35.719 39.268 19.290 1.00 0.00 C ATOM 876 OG1 THR A 55 34.661 38.863 20.129 1.00 0.00 O ATOM 877 CG2 THR A 55 35.555 38.576 17.940 1.00 0.00 C ATOM 0 H THR A 55 36.623 37.015 20.308 1.00 0.00 H new ATOM 0 HA THR A 55 37.847 39.449 19.346 1.00 0.00 H new ATOM 0 HB THR A 55 35.692 40.342 19.108 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.469 37.914 19.978 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.573 38.809 17.529 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.327 38.926 17.255 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.648 37.498 18.070 1.00 0.00 H new ATOM 885 N LEU A 56 37.040 41.042 21.317 1.00 0.00 N ATOM 886 CA LEU A 56 36.856 41.842 22.512 1.00 0.00 C ATOM 887 C LEU A 56 35.577 41.489 23.274 1.00 0.00 C ATOM 888 O LEU A 56 35.595 41.426 24.501 1.00 0.00 O ATOM 889 CB LEU A 56 36.880 43.319 22.128 1.00 0.00 C ATOM 890 CG LEU A 56 38.211 43.838 21.589 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.076 45.323 21.269 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.357 43.698 22.587 1.00 0.00 C ATOM 0 H LEU A 56 37.126 41.596 20.465 1.00 0.00 H new ATOM 0 HA LEU A 56 37.676 41.623 23.196 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.111 43.493 21.376 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.608 43.908 23.004 1.00 0.00 H new ATOM 0 HG LEU A 56 38.442 43.239 20.708 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.023 45.700 20.884 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.297 45.464 20.519 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.811 45.868 22.175 1.00 0.00 H new ATOM 0 HD21 LEU A 56 40.275 44.085 22.144 1.00 0.00 H new ATOM 0 HD22 LEU A 56 39.124 44.263 23.490 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.492 42.647 22.841 1.00 0.00 H new ATOM 904 N SER A 57 34.484 41.178 22.582 1.00 0.00 N ATOM 905 CA SER A 57 33.247 40.717 23.179 1.00 0.00 C ATOM 906 C SER A 57 33.392 39.350 23.851 1.00 0.00 C ATOM 907 O SER A 57 32.856 39.147 24.939 1.00 0.00 O ATOM 908 CB SER A 57 32.101 40.715 22.171 1.00 0.00 C ATOM 909 OG SER A 57 32.208 39.742 21.155 1.00 0.00 O ATOM 0 H SER A 57 34.440 41.243 21.565 1.00 0.00 H new ATOM 0 HA SER A 57 33.002 41.432 23.964 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.165 40.559 22.707 1.00 0.00 H new ATOM 0 HB3 SER A 57 32.042 41.700 21.707 1.00 0.00 H new ATOM 0 HG SER A 57 33.153 39.587 20.949 1.00 0.00 H new ATOM 915 N ASP A 58 34.194 38.450 23.292 1.00 0.00 N ATOM 916 CA ASP A 58 34.456 37.154 23.886 1.00 0.00 C ATOM 917 C ASP A 58 35.266 37.240 25.180 1.00 0.00 C ATOM 918 O ASP A 58 35.293 36.277 25.945 1.00 0.00 O ATOM 919 CB ASP A 58 35.137 36.226 22.884 1.00 0.00 C ATOM 920 CG ASP A 58 34.311 35.999 21.617 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.151 35.543 21.708 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.814 36.283 20.509 1.00 0.00 O ATOM 0 H ASP A 58 34.681 38.605 22.409 1.00 0.00 H new ATOM 0 HA ASP A 58 33.486 36.736 24.155 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.105 36.646 22.609 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.330 35.265 23.361 1.00 0.00 H new ATOM 927 N TYR A 59 35.906 38.374 25.450 1.00 0.00 N ATOM 928 CA TYR A 59 36.532 38.730 26.707 1.00 0.00 C ATOM 929 C TYR A 59 35.746 39.750 27.533 1.00 0.00 C ATOM 930 O TYR A 59 36.235 40.187 28.572 1.00 0.00 O ATOM 931 CB TYR A 59 37.973 39.162 26.449 1.00 0.00 C ATOM 932 CG TYR A 59 38.921 38.031 26.128 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.267 37.122 27.135 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.501 37.926 24.858 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.202 36.111 26.881 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.453 36.932 24.600 1.00 0.00 C ATOM 937 CZ TYR A 59 40.808 36.018 25.612 1.00 0.00 C ATOM 938 OH TYR A 59 41.731 35.048 25.352 1.00 0.00 O ATOM 0 H TYR A 59 36.004 39.110 24.750 1.00 0.00 H new ATOM 0 HA TYR A 59 36.534 37.839 27.335 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.983 39.872 25.622 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.343 39.690 27.328 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.811 37.201 28.111 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.214 38.613 24.076 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.458 35.404 27.656 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.915 36.866 23.626 1.00 0.00 H new ATOM 0 HH TYR A 59 41.494 34.585 24.521 1.00 0.00 H new ATOM 948 N ASN A 60 34.530 40.112 27.132 1.00 0.00 N ATOM 949 CA ASN A 60 33.672 41.079 27.785 1.00 0.00 C ATOM 950 C ASN A 60 34.346 42.426 28.057 1.00 0.00 C ATOM 951 O ASN A 60 34.303 42.956 29.165 1.00 0.00 O ATOM 952 CB ASN A 60 32.943 40.462 28.975 1.00 0.00 C ATOM 953 CG ASN A 60 32.172 39.187 28.630 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.469 38.101 29.123 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.152 39.258 27.778 1.00 0.00 N ATOM 0 H ASN A 60 34.100 39.713 26.297 1.00 0.00 H new ATOM 0 HA ASN A 60 32.892 41.349 27.073 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.668 40.237 29.757 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.249 41.196 29.385 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.626 38.417 27.541 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.896 40.154 27.362 1.00 0.00 H new ATOM 962 N ILE A 61 34.994 42.985 27.039 1.00 0.00 N ATOM 963 CA ILE A 61 35.630 44.287 27.073 1.00 0.00 C ATOM 964 C ILE A 61 34.632 45.343 26.595 1.00 0.00 C ATOM 965 O ILE A 61 34.155 45.301 25.464 1.00 0.00 O ATOM 966 CB ILE A 61 36.935 44.254 26.281 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.946 43.359 26.992 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.514 45.652 26.086 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.088 42.868 26.106 1.00 0.00 C ATOM 0 H ILE A 61 35.091 42.521 26.136 1.00 0.00 H new ATOM 0 HA ILE A 61 35.912 44.560 28.090 1.00 0.00 H new ATOM 0 HB ILE A 61 36.719 43.849 25.293 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.367 43.906 27.836 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.423 42.495 27.401 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.442 45.586 25.518 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.799 46.269 25.542 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.715 46.101 27.058 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.759 42.239 26.692 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.682 42.290 25.276 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.640 43.723 25.717 1.00 0.00 H new ATOM 981 N GLN A 62 34.290 46.270 27.485 1.00 0.00 N ATOM 982 CA GLN A 62 33.355 47.356 27.268 1.00 0.00 C ATOM 983 C GLN A 62 34.057 48.661 26.888 1.00 0.00 C ATOM 984 O GLN A 62 35.261 48.813 27.084 1.00 0.00 O ATOM 985 CB GLN A 62 32.531 47.556 28.537 1.00 0.00 C ATOM 986 CG GLN A 62 31.635 46.369 28.877 1.00 0.00 C ATOM 987 CD GLN A 62 30.814 46.581 30.149 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.009 47.509 30.930 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.842 45.713 30.417 1.00 0.00 N ATOM 0 H GLN A 62 34.682 46.279 28.426 1.00 0.00 H new ATOM 0 HA GLN A 62 32.711 47.088 26.431 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.206 47.742 29.373 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.913 48.446 28.422 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.959 46.181 28.043 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.252 45.478 28.994 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.663 44.935 29.782 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.275 45.825 31.258 1.00 0.00 H new ATOM 998 N LYS A 63 33.301 49.635 26.390 1.00 0.00 N ATOM 999 CA LYS A 63 33.804 50.972 26.149 1.00 0.00 C ATOM 1000 C LYS A 63 34.292 51.637 27.438 1.00 0.00 C ATOM 1001 O LYS A 63 33.737 51.445 28.516 1.00 0.00 O ATOM 1002 CB LYS A 63 32.803 51.815 25.363 1.00 0.00 C ATOM 1003 CG LYS A 63 31.554 52.249 26.123 1.00 0.00 C ATOM 1004 CD LYS A 63 30.523 52.835 25.161 1.00 0.00 C ATOM 1005 CE LYS A 63 29.189 53.080 25.859 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.142 53.456 24.896 1.00 0.00 N ATOM 0 H LYS A 63 32.319 49.513 26.143 1.00 0.00 H new ATOM 0 HA LYS A 63 34.685 50.890 25.513 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.314 52.708 25.003 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.492 51.249 24.485 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.126 51.396 26.649 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.819 52.989 26.878 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.898 53.772 24.750 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.377 52.154 24.322 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.886 52.181 26.395 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.304 53.870 26.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.247 53.616 25.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.421 54.328 24.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.017 52.691 24.203 1.00 0.00 H new ATOM 1020 N GLU A 64 35.354 52.428 27.309 1.00 0.00 N ATOM 1021 CA GLU A 64 36.043 53.131 28.373 1.00 0.00 C ATOM 1022 C GLU A 64 36.735 52.229 29.398 1.00 0.00 C ATOM 1023 O GLU A 64 37.229 52.716 30.412 1.00 0.00 O ATOM 1024 CB GLU A 64 35.148 54.193 29.004 1.00 0.00 C ATOM 1025 CG GLU A 64 34.484 55.122 27.992 1.00 0.00 C ATOM 1026 CD GLU A 64 33.501 56.121 28.605 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.020 55.918 29.741 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.154 57.094 27.903 1.00 0.00 O ATOM 0 H GLU A 64 35.779 52.602 26.398 1.00 0.00 H new ATOM 0 HA GLU A 64 36.876 53.647 27.896 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.374 53.699 29.592 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.742 54.790 29.696 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.259 55.673 27.459 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.957 54.518 27.253 1.00 0.00 H new ATOM 1035 N SER A 65 36.806 50.925 29.146 1.00 0.00 N ATOM 1036 CA SER A 65 37.620 49.990 29.896 1.00 0.00 C ATOM 1037 C SER A 65 39.103 50.133 29.545 1.00 0.00 C ATOM 1038 O SER A 65 39.455 50.506 28.428 1.00 0.00 O ATOM 1039 CB SER A 65 37.159 48.548 29.703 1.00 0.00 C ATOM 1040 OG SER A 65 35.873 48.358 30.249 1.00 0.00 O ATOM 0 H SER A 65 36.281 50.483 28.391 1.00 0.00 H new ATOM 0 HA SER A 65 37.493 50.239 30.950 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.148 48.304 28.641 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.866 47.868 30.179 1.00 0.00 H new ATOM 0 HG SER A 65 35.594 47.428 30.114 1.00 0.00 H new ATOM 1046 N THR A 66 39.973 49.830 30.504 1.00 0.00 N ATOM 1047 CA THR A 66 41.411 49.919 30.352 1.00 0.00 C ATOM 1048 C THR A 66 42.027 48.520 30.272 1.00 0.00 C ATOM 1049 O THR A 66 41.712 47.658 31.089 1.00 0.00 O ATOM 1050 CB THR A 66 42.052 50.733 31.473 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.489 52.025 31.517 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.553 50.939 31.289 1.00 0.00 C ATOM 0 H THR A 66 39.685 49.509 31.428 1.00 0.00 H new ATOM 0 HA THR A 66 41.613 50.444 29.418 1.00 0.00 H new ATOM 0 HB THR A 66 41.871 50.161 32.383 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.905 52.539 32.240 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.944 51.525 32.121 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.052 49.971 31.261 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.736 51.469 30.354 1.00 0.00 H new ATOM 1060 N LEU A 67 42.927 48.303 29.318 1.00 0.00 N ATOM 1061 CA LEU A 67 43.624 47.051 29.103 1.00 0.00 C ATOM 1062 C LEU A 67 45.082 47.287 28.701 1.00 0.00 C ATOM 1063 O LEU A 67 45.417 48.273 28.048 1.00 0.00 O ATOM 1064 CB LEU A 67 42.874 46.150 28.125 1.00 0.00 C ATOM 1065 CG LEU A 67 42.414 46.742 26.796 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.262 45.610 25.784 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.057 47.432 26.897 1.00 0.00 C ATOM 0 H LEU A 67 43.197 49.026 28.651 1.00 0.00 H new ATOM 0 HA LEU A 67 43.649 46.513 30.051 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.514 45.296 27.904 1.00 0.00 H new ATOM 0 HB3 LEU A 67 41.993 45.764 28.638 1.00 0.00 H new ATOM 0 HG LEU A 67 43.161 47.478 26.498 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.933 46.018 24.828 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.220 45.107 25.654 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.524 44.895 26.146 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.780 47.834 25.923 1.00 0.00 H new ATOM 0 HD22 LEU A 67 40.305 46.711 27.219 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.115 48.244 27.622 1.00 0.00 H new ATOM 1079 N HIS A 68 45.974 46.379 29.087 1.00 0.00 N ATOM 1080 CA HIS A 68 47.408 46.586 29.046 1.00 0.00 C ATOM 1081 C HIS A 68 48.066 45.952 27.819 1.00 0.00 C ATOM 1082 O HIS A 68 47.490 45.072 27.183 1.00 0.00 O ATOM 1083 CB HIS A 68 48.037 46.118 30.355 1.00 0.00 C ATOM 1084 CG HIS A 68 47.462 46.769 31.582 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.034 47.825 32.288 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.297 46.402 32.208 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.212 48.084 33.307 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.154 47.257 33.283 1.00 0.00 N ATOM 0 H HIS A 68 45.708 45.461 29.444 1.00 0.00 H new ATOM 0 HA HIS A 68 47.590 47.656 28.942 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.914 45.038 30.439 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.109 46.315 30.321 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.627 45.606 31.918 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.375 48.852 34.048 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.378 47.260 33.945 1.00 0.00 H new ATOM 1096 N LEU A 69 49.264 46.415 27.477 1.00 0.00 N ATOM 1097 CA LEU A 69 50.104 45.938 26.397 1.00 0.00 C ATOM 1098 C LEU A 69 51.498 45.621 26.942 1.00 0.00 C ATOM 1099 O LEU A 69 52.068 46.427 27.675 1.00 0.00 O ATOM 1100 CB LEU A 69 50.138 47.011 25.313 1.00 0.00 C ATOM 1101 CG LEU A 69 51.163 46.832 24.196 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.894 45.610 23.323 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.158 48.052 23.279 1.00 0.00 C ATOM 0 H LEU A 69 49.698 47.186 27.985 1.00 0.00 H new ATOM 0 HA LEU A 69 49.710 45.019 25.962 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.148 47.067 24.860 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.323 47.972 25.793 1.00 0.00 H new ATOM 0 HG LEU A 69 52.124 46.701 24.694 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.658 45.541 22.549 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.918 44.711 23.938 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.913 45.705 22.857 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.893 47.914 22.486 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.168 48.173 22.840 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.410 48.942 23.856 1.00 0.00 H new ATOM 1115 N VAL A 70 52.064 44.487 26.542 1.00 0.00 N ATOM 1116 CA VAL A 70 53.474 44.175 26.664 1.00 0.00 C ATOM 1117 C VAL A 70 54.027 43.688 25.323 1.00 0.00 C ATOM 1118 O VAL A 70 53.307 43.120 24.504 1.00 0.00 O ATOM 1119 CB VAL A 70 53.784 43.158 27.759 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.413 43.676 29.146 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.121 41.803 27.533 1.00 0.00 C ATOM 0 H VAL A 70 51.528 43.735 26.108 1.00 0.00 H new ATOM 0 HA VAL A 70 53.966 45.102 26.957 1.00 0.00 H new ATOM 0 HB VAL A 70 54.863 43.014 27.706 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.651 42.919 29.893 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.977 44.585 29.358 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.346 43.895 29.179 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.384 41.129 28.348 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.039 41.928 27.500 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.466 41.382 26.589 1.00 0.00 H new ATOM 1131 N LEU A 71 55.325 43.886 25.112 1.00 0.00 N ATOM 1132 CA LEU A 71 56.053 43.424 23.947 1.00 0.00 C ATOM 1133 C LEU A 71 56.964 42.244 24.289 1.00 0.00 C ATOM 1134 O LEU A 71 57.598 42.208 25.342 1.00 0.00 O ATOM 1135 CB LEU A 71 56.826 44.578 23.314 1.00 0.00 C ATOM 1136 CG LEU A 71 56.002 45.812 22.959 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.877 46.800 22.194 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.775 45.506 22.105 1.00 0.00 C ATOM 0 H LEU A 71 55.914 44.391 25.774 1.00 0.00 H new ATOM 0 HA LEU A 71 55.334 43.061 23.213 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.619 44.878 23.999 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.309 44.213 22.407 1.00 0.00 H new ATOM 0 HG LEU A 71 55.649 46.225 23.904 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.291 47.683 21.939 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.723 47.093 22.815 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.243 46.331 21.281 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.239 46.431 21.893 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.089 45.046 21.168 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.119 44.822 22.643 1.00 0.00 H new ATOM 1150 N ARG A 72 57.045 41.279 23.376 1.00 0.00 N ATOM 1151 CA ARG A 72 57.762 40.028 23.521 1.00 0.00 C ATOM 1152 C ARG A 72 59.242 40.148 23.149 1.00 0.00 C ATOM 1153 O ARG A 72 59.793 39.309 22.440 1.00 0.00 O ATOM 1154 CB ARG A 72 57.018 38.944 22.748 1.00 0.00 C ATOM 1155 CG ARG A 72 55.599 38.676 23.240 1.00 0.00 C ATOM 1156 CD ARG A 72 55.531 37.831 24.509 1.00 0.00 C ATOM 1157 NE ARG A 72 55.119 36.462 24.198 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.293 35.661 24.884 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.792 35.966 26.088 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.920 34.499 24.329 1.00 0.00 N ATOM 0 H ARG A 72 56.585 41.359 22.469 1.00 0.00 H new ATOM 0 HA ARG A 72 57.781 39.742 24.573 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.977 39.229 21.697 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.590 38.018 22.805 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.103 39.629 23.424 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.041 38.173 22.451 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.505 37.821 24.997 1.00 0.00 H new ATOM 0 HD3 ARG A 72 54.827 38.277 25.212 1.00 0.00 H new ATOM 0 HE ARG A 72 55.513 36.065 23.345 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.036 36.851 26.532 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.167 35.313 26.561 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.264 34.242 23.404 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.292 33.872 24.832 1.00 0.00 H new ATOM 1174 N LEU A 73 59.879 41.225 23.599 1.00 0.00 N ATOM 1175 CA LEU A 73 61.234 41.605 23.251 1.00 0.00 C ATOM 1176 C LEU A 73 62.271 40.585 23.726 1.00 0.00 C ATOM 1177 O LEU A 73 62.096 39.944 24.760 1.00 0.00 O ATOM 1178 CB LEU A 73 61.540 42.996 23.800 1.00 0.00 C ATOM 1179 CG LEU A 73 60.606 44.106 23.325 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.940 45.405 24.054 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.682 44.359 21.821 1.00 0.00 C ATOM 0 H LEU A 73 59.441 41.882 24.244 1.00 0.00 H new ATOM 0 HA LEU A 73 61.302 41.626 22.163 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.504 42.955 24.889 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.561 43.261 23.525 1.00 0.00 H new ATOM 0 HG LEU A 73 59.593 43.773 23.551 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.272 46.196 23.713 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.815 45.262 25.127 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.972 45.686 23.843 1.00 0.00 H new ATOM 0 HD21 LEU A 73 59.993 45.160 21.551 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.698 44.648 21.552 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.409 43.450 21.285 1.00 0.00 H new ATOM 1193 N ARG A 74 63.353 40.443 22.966 1.00 0.00 N ATOM 1194 CA ARG A 74 64.357 39.408 23.119 1.00 0.00 C ATOM 1195 C ARG A 74 65.624 39.876 23.837 1.00 0.00 C ATOM 1196 O ARG A 74 66.013 41.038 23.748 1.00 0.00 O ATOM 1197 CB ARG A 74 64.700 38.785 21.770 1.00 0.00 C ATOM 1198 CG ARG A 74 63.479 38.231 21.040 1.00 0.00 C ATOM 1199 CD ARG A 74 63.908 37.431 19.813 1.00 0.00 C ATOM 1200 NE ARG A 74 62.745 37.012 19.032 1.00 0.00 N ATOM 1201 CZ ARG A 74 62.684 36.015 18.139 1.00 0.00 C ATOM 1202 NH1 ARG A 74 63.677 35.131 17.967 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.584 35.873 17.387 1.00 0.00 N ATOM 0 H ARG A 74 63.558 41.077 22.194 1.00 0.00 H new ATOM 0 HA ARG A 74 63.910 38.651 23.764 1.00 0.00 H new ATOM 0 HB2 ARG A 74 65.182 39.534 21.142 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.422 37.982 21.920 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.903 37.596 21.713 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.826 39.050 20.738 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.569 38.036 19.192 1.00 0.00 H new ATOM 0 HD3 ARG A 74 64.476 36.555 20.125 1.00 0.00 H new ATOM 0 HE ARG A 74 61.884 37.537 19.184 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.525 35.201 18.529 1.00 0.00 H new ATOM 0 HH12 ARG A 74 63.584 34.388 17.274 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.804 36.520 17.497 1.00 0.00 H new ATOM 0 HH22 ARG A 74 61.527 35.117 16.704 1.00 0.00 H new ATOM 1217 N GLY A 75 66.291 38.944 24.512 1.00 0.00 N ATOM 1218 CA GLY A 75 67.539 39.158 25.217 1.00 0.00 C ATOM 1219 C GLY A 75 68.764 39.318 24.314 1.00 0.00 C ATOM 1220 O GLY A 75 68.696 39.164 23.096 1.00 0.00 O ATOM 0 H GLY A 75 65.958 37.982 24.582 1.00 0.00 H new ATOM 0 HA2 GLY A 75 67.442 40.050 25.837 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.708 38.318 25.891 1.00 0.00 H new ATOM 1224 N GLY A 76 69.888 39.608 24.962 1.00 0.00 N ATOM 1225 CA GLY A 76 71.215 39.760 24.399 1.00 0.00 C ATOM 1226 C GLY A 76 71.529 41.169 23.891 1.00 0.00 C ATOM 1227 O GLY A 76 71.827 42.048 24.729 1.00 0.00 O ATOM 1228 OXT GLY A 76 71.512 41.386 22.661 1.00 0.00 O ATOM 0 H GLY A 76 69.889 39.753 25.972 1.00 0.00 H new ATOM 0 HA2 GLY A 76 71.951 39.487 25.156 1.00 0.00 H new ATOM 0 HA3 GLY A 76 71.330 39.056 23.575 1.00 0.00 H new TER 1232 GLY A 76