USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 60 ASN : amide:sc= 0.897 K(o=1.9,f=-1) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.04 K(o=1.9,f=-0.38) USER MOD Set 2.1: A 55 THR OG1 : rot 122:sc= 0.908 USER MOD Set 2.2: A 57 SER OG : rot -85:sc= 0.944 USER MOD Set 3.1: A 22 THR OG1 : rot -82:sc= 1.57 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.54 K(o=3.1,f=-6.2!) USER MOD Set 4.1: A 7 THR OG1 : rot 142:sc= 1.64 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.999 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.78 (180deg=1.74) USER MOD Single : A 2 GLN : amide:sc= 0.946 K(o=0.95,f=-0.45) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0.924 (180deg=0.326) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.0842 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0882 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 0.936 (180deg=0.0278!) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.11) USER MOD Single : A 31 GLN : amide:sc= -0.517 K(o=-0.52,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.17) USER MOD Single : A 41 GLN : amide:sc= 0.651 K(o=0.65,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.54 K(o=0.54,f=-8!) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.636 USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0134) USER MOD Single : A 65 SER OG : rot 112:sc= 1.25 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.498 51.881 20.203 1.00 0.00 N ATOM 2 CA MET A 1 32.802 52.018 21.636 1.00 0.00 C ATOM 3 C MET A 1 34.297 52.298 21.802 1.00 0.00 C ATOM 4 O MET A 1 35.091 51.877 20.964 1.00 0.00 O ATOM 5 CB MET A 1 32.379 50.804 22.457 1.00 0.00 C ATOM 6 CG MET A 1 33.200 49.541 22.206 1.00 0.00 C ATOM 7 SD MET A 1 32.681 48.141 23.229 1.00 0.00 S ATOM 8 CE MET A 1 34.051 47.008 22.893 1.00 0.00 C ATOM 0 H1 MET A 1 31.469 51.809 20.072 1.00 0.00 H new ATOM 0 H2 MET A 1 32.855 52.713 19.691 1.00 0.00 H new ATOM 0 H3 MET A 1 32.955 51.024 19.832 1.00 0.00 H new ATOM 0 HA MET A 1 32.218 52.853 22.023 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.444 51.058 23.515 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.332 50.587 22.245 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.118 49.265 21.155 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.251 49.754 22.399 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.900 46.081 23.445 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.091 46.792 21.825 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.988 47.468 23.206 1.00 0.00 H new ATOM 20 N GLN A 2 34.686 52.970 22.882 1.00 0.00 N ATOM 21 CA GLN A 2 36.053 53.390 23.112 1.00 0.00 C ATOM 22 C GLN A 2 36.719 52.512 24.173 1.00 0.00 C ATOM 23 O GLN A 2 36.092 52.160 25.170 1.00 0.00 O ATOM 24 CB GLN A 2 36.070 54.877 23.453 1.00 0.00 C ATOM 25 CG GLN A 2 35.630 55.689 22.238 1.00 0.00 C ATOM 26 CD GLN A 2 35.392 57.172 22.532 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.527 57.656 23.654 1.00 0.00 O ATOM 28 NE2 GLN A 2 34.966 57.928 21.524 1.00 0.00 N ATOM 0 H GLN A 2 34.046 53.239 23.629 1.00 0.00 H new ATOM 0 HA GLN A 2 36.646 53.258 22.207 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.406 55.075 24.294 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.072 55.178 23.760 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.389 55.601 21.461 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.713 55.257 21.838 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.855 57.523 20.594 1.00 0.00 H new ATOM 0 HE22 GLN A 2 34.750 58.913 21.681 1.00 0.00 H new ATOM 37 N ILE A 3 37.989 52.176 23.959 1.00 0.00 N ATOM 38 CA ILE A 3 38.837 51.483 24.905 1.00 0.00 C ATOM 39 C ILE A 3 40.186 52.194 25.025 1.00 0.00 C ATOM 40 O ILE A 3 40.591 52.930 24.128 1.00 0.00 O ATOM 41 CB ILE A 3 39.004 50.005 24.560 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.679 49.784 23.209 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.674 49.264 24.663 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.012 48.330 22.884 1.00 0.00 C ATOM 0 H ILE A 3 38.467 52.391 23.084 1.00 0.00 H new ATOM 0 HA ILE A 3 38.345 51.512 25.877 1.00 0.00 H new ATOM 0 HB ILE A 3 39.680 49.581 25.303 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.029 50.176 22.427 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.600 50.367 23.180 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.822 48.214 24.412 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.291 49.343 25.680 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.957 49.705 23.970 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.488 48.276 21.905 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.690 47.934 23.640 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.095 47.740 22.875 1.00 0.00 H new ATOM 56 N PHE A 4 40.902 51.929 26.115 1.00 0.00 N ATOM 57 CA PHE A 4 42.229 52.450 26.371 1.00 0.00 C ATOM 58 C PHE A 4 43.262 51.321 26.406 1.00 0.00 C ATOM 59 O PHE A 4 42.960 50.231 26.885 1.00 0.00 O ATOM 60 CB PHE A 4 42.241 53.251 27.669 1.00 0.00 C ATOM 61 CG PHE A 4 41.185 54.328 27.751 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.275 55.458 26.928 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.113 54.196 28.641 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.301 56.460 27.004 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.137 55.197 28.718 1.00 0.00 C ATOM 66 CZ PHE A 4 39.233 56.329 27.900 1.00 0.00 C ATOM 0 H PHE A 4 40.558 51.327 26.863 1.00 0.00 H new ATOM 0 HA PHE A 4 42.502 53.119 25.555 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.108 52.565 28.506 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.222 53.712 27.788 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.097 55.556 26.234 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.038 53.321 29.269 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.373 57.333 26.372 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.312 55.096 29.407 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.482 57.103 27.960 1.00 0.00 H new ATOM 76 N VAL A 5 44.481 51.577 25.939 1.00 0.00 N ATOM 77 CA VAL A 5 45.592 50.652 26.035 1.00 0.00 C ATOM 78 C VAL A 5 46.798 51.352 26.666 1.00 0.00 C ATOM 79 O VAL A 5 47.344 52.279 26.072 1.00 0.00 O ATOM 80 CB VAL A 5 45.955 50.031 24.688 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.991 48.924 24.861 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.747 49.419 23.986 1.00 0.00 C ATOM 0 H VAL A 5 44.723 52.453 25.475 1.00 0.00 H new ATOM 0 HA VAL A 5 45.282 49.827 26.677 1.00 0.00 H new ATOM 0 HB VAL A 5 46.352 50.846 24.082 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.233 48.497 23.888 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.894 49.337 25.311 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.587 48.146 25.508 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.058 48.991 23.033 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.320 48.637 24.613 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.999 50.192 23.810 1.00 0.00 H new ATOM 92 N LYS A 6 47.221 50.913 27.848 1.00 0.00 N ATOM 93 CA LYS A 6 48.372 51.429 28.561 1.00 0.00 C ATOM 94 C LYS A 6 49.628 50.618 28.238 1.00 0.00 C ATOM 95 O LYS A 6 49.580 49.390 28.225 1.00 0.00 O ATOM 96 CB LYS A 6 48.073 51.492 30.056 1.00 0.00 C ATOM 97 CG LYS A 6 49.158 52.209 30.855 1.00 0.00 C ATOM 98 CD LYS A 6 48.868 52.238 32.353 1.00 0.00 C ATOM 99 CE LYS A 6 50.012 52.914 33.102 1.00 0.00 C ATOM 100 NZ LYS A 6 49.974 52.647 34.549 1.00 0.00 N ATOM 0 H LYS A 6 46.750 50.160 28.349 1.00 0.00 H new ATOM 0 HA LYS A 6 48.576 52.447 28.228 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.121 52.001 30.209 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.957 50.479 30.440 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.115 51.715 30.684 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.257 53.231 30.489 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.937 52.772 32.539 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.732 51.222 32.724 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.963 52.567 32.697 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.967 53.990 32.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.771 53.128 35.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.080 53.001 34.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.044 51.623 34.715 1.00 0.00 H new ATOM 114 N THR A 7 50.754 51.289 28.011 1.00 0.00 N ATOM 115 CA THR A 7 52.043 50.671 27.777 1.00 0.00 C ATOM 116 C THR A 7 52.882 50.574 29.052 1.00 0.00 C ATOM 117 O THR A 7 52.643 51.277 30.032 1.00 0.00 O ATOM 118 CB THR A 7 52.832 51.380 26.680 1.00 0.00 C ATOM 119 OG1 THR A 7 53.365 52.606 27.126 1.00 0.00 O ATOM 120 CG2 THR A 7 52.020 51.669 25.420 1.00 0.00 C ATOM 0 H THR A 7 50.789 52.308 27.985 1.00 0.00 H new ATOM 0 HA THR A 7 51.828 49.657 27.439 1.00 0.00 H new ATOM 0 HB THR A 7 53.626 50.676 26.431 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.258 52.733 26.743 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.651 52.174 24.688 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.655 50.732 24.999 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.173 52.308 25.671 1.00 0.00 H new ATOM 128 N LEU A 8 53.941 49.769 29.021 1.00 0.00 N ATOM 129 CA LEU A 8 55.008 49.757 30.000 1.00 0.00 C ATOM 130 C LEU A 8 55.990 50.920 29.846 1.00 0.00 C ATOM 131 O LEU A 8 56.947 51.024 30.610 1.00 0.00 O ATOM 132 CB LEU A 8 55.715 48.405 29.966 1.00 0.00 C ATOM 133 CG LEU A 8 54.857 47.200 30.346 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.721 45.942 30.369 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.215 47.322 31.724 1.00 0.00 C ATOM 0 H LEU A 8 54.078 49.082 28.280 1.00 0.00 H new ATOM 0 HA LEU A 8 54.556 49.901 30.981 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.108 48.246 28.962 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.571 48.446 30.640 1.00 0.00 H new ATOM 0 HG LEU A 8 54.067 47.150 29.597 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.107 45.084 30.640 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.155 45.780 29.382 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.520 46.062 31.101 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.620 46.432 31.928 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.993 47.420 32.481 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.572 48.202 31.749 1.00 0.00 H new ATOM 147 N THR A 9 55.740 51.805 28.884 1.00 0.00 N ATOM 148 CA THR A 9 56.495 52.990 28.531 1.00 0.00 C ATOM 149 C THR A 9 55.682 54.268 28.747 1.00 0.00 C ATOM 150 O THR A 9 55.849 55.258 28.039 1.00 0.00 O ATOM 151 CB THR A 9 57.031 52.893 27.106 1.00 0.00 C ATOM 152 OG1 THR A 9 55.970 52.708 26.196 1.00 0.00 O ATOM 153 CG2 THR A 9 57.995 51.725 26.918 1.00 0.00 C ATOM 0 H THR A 9 54.926 51.694 28.279 1.00 0.00 H new ATOM 0 HA THR A 9 57.352 53.047 29.202 1.00 0.00 H new ATOM 0 HB THR A 9 57.561 53.827 26.920 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.327 52.649 25.285 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.345 51.704 25.886 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.847 51.845 27.587 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.483 50.790 27.146 1.00 0.00 H new ATOM 161 N GLY A 10 54.757 54.247 29.703 1.00 0.00 N ATOM 162 CA GLY A 10 54.042 55.403 30.205 1.00 0.00 C ATOM 163 C GLY A 10 52.977 56.011 29.289 1.00 0.00 C ATOM 164 O GLY A 10 52.354 56.992 29.687 1.00 0.00 O ATOM 0 H GLY A 10 54.477 53.382 30.165 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.563 55.124 31.144 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.772 56.178 30.438 1.00 0.00 H new ATOM 168 N LYS A 11 52.747 55.459 28.100 1.00 0.00 N ATOM 169 CA LYS A 11 51.799 55.965 27.129 1.00 0.00 C ATOM 170 C LYS A 11 50.425 55.317 27.318 1.00 0.00 C ATOM 171 O LYS A 11 50.348 54.138 27.656 1.00 0.00 O ATOM 172 CB LYS A 11 52.374 55.786 25.726 1.00 0.00 C ATOM 173 CG LYS A 11 51.589 56.545 24.661 1.00 0.00 C ATOM 174 CD LYS A 11 52.191 56.471 23.261 1.00 0.00 C ATOM 175 CE LYS A 11 53.517 57.218 23.152 1.00 0.00 C ATOM 176 NZ LYS A 11 53.967 57.298 21.753 1.00 0.00 N ATOM 0 H LYS A 11 53.234 54.621 27.782 1.00 0.00 H new ATOM 0 HA LYS A 11 51.639 57.033 27.279 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.410 56.125 25.717 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.384 54.725 25.476 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.573 56.152 24.627 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.517 57.591 24.957 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.343 55.426 22.990 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.484 56.887 22.543 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.406 58.223 23.560 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.273 56.712 23.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.718 58.013 21.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.335 56.373 21.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.166 57.565 21.146 1.00 0.00 H new ATOM 190 N THR A 12 49.352 56.055 27.049 1.00 0.00 N ATOM 191 CA THR A 12 48.009 55.520 26.957 1.00 0.00 C ATOM 192 C THR A 12 47.399 55.871 25.598 1.00 0.00 C ATOM 193 O THR A 12 47.282 57.044 25.250 1.00 0.00 O ATOM 194 CB THR A 12 47.121 55.988 28.107 1.00 0.00 C ATOM 195 OG1 THR A 12 47.616 55.515 29.340 1.00 0.00 O ATOM 196 CG2 THR A 12 45.697 55.446 28.001 1.00 0.00 C ATOM 0 H THR A 12 49.399 57.061 26.887 1.00 0.00 H new ATOM 0 HA THR A 12 48.073 54.435 27.042 1.00 0.00 H new ATOM 0 HB THR A 12 47.121 57.077 28.051 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.036 55.826 30.066 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.106 55.808 28.843 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.247 55.786 27.069 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.720 54.356 28.016 1.00 0.00 H new ATOM 204 N ILE A 13 46.993 54.863 24.832 1.00 0.00 N ATOM 205 CA ILE A 13 46.352 54.974 23.537 1.00 0.00 C ATOM 206 C ILE A 13 44.834 54.875 23.696 1.00 0.00 C ATOM 207 O ILE A 13 44.364 54.014 24.438 1.00 0.00 O ATOM 208 CB ILE A 13 46.865 53.889 22.595 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.385 53.791 22.501 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.275 54.027 21.195 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.095 55.041 21.990 1.00 0.00 C ATOM 0 H ILE A 13 47.112 53.892 25.121 1.00 0.00 H new ATOM 0 HA ILE A 13 46.596 55.944 23.104 1.00 0.00 H new ATOM 0 HB ILE A 13 46.521 52.960 23.051 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.778 53.550 23.489 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.638 52.958 21.846 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.666 53.235 20.556 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.189 53.947 21.248 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.548 54.997 20.779 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.170 54.863 21.963 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.740 55.276 20.986 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.882 55.878 22.655 1.00 0.00 H new ATOM 223 N THR A 14 44.068 55.682 22.968 1.00 0.00 N ATOM 224 CA THR A 14 42.627 55.563 22.859 1.00 0.00 C ATOM 225 C THR A 14 42.246 54.937 21.516 1.00 0.00 C ATOM 226 O THR A 14 42.758 55.373 20.487 1.00 0.00 O ATOM 227 CB THR A 14 41.949 56.921 23.010 1.00 0.00 C ATOM 228 OG1 THR A 14 42.322 57.548 24.217 1.00 0.00 O ATOM 229 CG2 THR A 14 40.428 56.807 23.046 1.00 0.00 C ATOM 0 H THR A 14 44.448 56.457 22.424 1.00 0.00 H new ATOM 0 HA THR A 14 42.282 54.917 23.666 1.00 0.00 H new ATOM 0 HB THR A 14 42.269 57.499 22.143 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.863 57.114 24.966 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.991 57.800 23.155 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.075 56.355 22.119 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.130 56.185 23.890 1.00 0.00 H new ATOM 237 N LEU A 15 41.348 53.956 21.487 1.00 0.00 N ATOM 238 CA LEU A 15 40.898 53.288 20.283 1.00 0.00 C ATOM 239 C LEU A 15 39.371 53.236 20.190 1.00 0.00 C ATOM 240 O LEU A 15 38.710 52.859 21.154 1.00 0.00 O ATOM 241 CB LEU A 15 41.471 51.875 20.219 1.00 0.00 C ATOM 242 CG LEU A 15 42.991 51.743 20.230 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.370 50.267 20.312 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.652 52.310 18.976 1.00 0.00 C ATOM 0 H LEU A 15 40.903 53.597 22.332 1.00 0.00 H new ATOM 0 HA LEU A 15 41.261 53.869 19.435 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.076 51.311 21.064 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.096 51.398 19.313 1.00 0.00 H new ATOM 0 HG LEU A 15 43.342 52.310 21.092 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.456 50.170 20.320 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.960 49.836 21.226 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.965 49.739 19.449 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.733 52.185 19.046 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.282 51.780 18.098 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.414 53.370 18.887 1.00 0.00 H new ATOM 256 N GLU A 16 38.820 53.563 19.025 1.00 0.00 N ATOM 257 CA GLU A 16 37.408 53.496 18.706 1.00 0.00 C ATOM 258 C GLU A 16 37.092 52.226 17.914 1.00 0.00 C ATOM 259 O GLU A 16 37.395 52.130 16.727 1.00 0.00 O ATOM 260 CB GLU A 16 37.027 54.763 17.947 1.00 0.00 C ATOM 261 CG GLU A 16 35.554 54.871 17.564 1.00 0.00 C ATOM 262 CD GLU A 16 34.658 55.215 18.756 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.586 56.406 19.130 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.929 54.324 19.243 1.00 0.00 O ATOM 0 H GLU A 16 39.380 53.898 18.241 1.00 0.00 H new ATOM 0 HA GLU A 16 36.814 53.442 19.618 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.292 55.627 18.557 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.627 54.818 17.039 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.438 55.635 16.795 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.226 53.927 17.128 1.00 0.00 H new ATOM 271 N VAL A 17 36.494 51.235 18.569 1.00 0.00 N ATOM 272 CA VAL A 17 36.328 49.861 18.140 1.00 0.00 C ATOM 273 C VAL A 17 34.866 49.408 18.165 1.00 0.00 C ATOM 274 O VAL A 17 34.015 50.058 18.767 1.00 0.00 O ATOM 275 CB VAL A 17 37.170 48.926 19.003 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.667 49.173 18.835 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.826 49.015 20.487 1.00 0.00 C ATOM 0 H VAL A 17 36.081 51.392 19.488 1.00 0.00 H new ATOM 0 HA VAL A 17 36.668 49.814 17.105 1.00 0.00 H new ATOM 0 HB VAL A 17 36.926 47.925 18.646 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.223 48.483 19.470 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.947 49.014 17.794 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.901 50.198 19.122 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.458 48.327 21.049 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.995 50.033 20.839 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.779 48.749 20.634 1.00 0.00 H new ATOM 287 N GLU A 18 34.565 48.252 17.581 1.00 0.00 N ATOM 288 CA GLU A 18 33.346 47.513 17.839 1.00 0.00 C ATOM 289 C GLU A 18 33.617 46.318 18.756 1.00 0.00 C ATOM 290 O GLU A 18 34.750 45.844 18.804 1.00 0.00 O ATOM 291 CB GLU A 18 32.720 47.047 16.528 1.00 0.00 C ATOM 292 CG GLU A 18 32.295 48.172 15.589 1.00 0.00 C ATOM 293 CD GLU A 18 31.217 49.092 16.168 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.387 48.653 16.992 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.162 50.279 15.777 1.00 0.00 O ATOM 0 H GLU A 18 35.177 47.799 16.903 1.00 0.00 H new ATOM 0 HA GLU A 18 32.645 48.177 18.344 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.433 46.408 16.008 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.848 46.433 16.755 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.170 48.770 15.335 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.926 47.737 14.660 1.00 0.00 H new ATOM 302 N PRO A 19 32.625 45.760 19.444 1.00 0.00 N ATOM 303 CA PRO A 19 32.806 44.542 20.210 1.00 0.00 C ATOM 304 C PRO A 19 33.298 43.356 19.378 1.00 0.00 C ATOM 305 O PRO A 19 33.928 42.442 19.908 1.00 0.00 O ATOM 306 CB PRO A 19 31.453 44.248 20.850 1.00 0.00 C ATOM 307 CG PRO A 19 30.732 45.593 20.860 1.00 0.00 C ATOM 308 CD PRO A 19 31.277 46.268 19.605 1.00 0.00 C ATOM 0 HA PRO A 19 33.591 44.688 20.952 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.897 43.504 20.279 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.569 43.853 21.859 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.649 45.474 20.819 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.956 46.167 21.759 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.663 46.033 18.735 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.277 47.353 19.712 1.00 0.00 H new ATOM 316 N SER A 20 33.044 43.387 18.074 1.00 0.00 N ATOM 317 CA SER A 20 33.429 42.415 17.070 1.00 0.00 C ATOM 318 C SER A 20 34.844 42.581 16.514 1.00 0.00 C ATOM 319 O SER A 20 35.229 41.800 15.647 1.00 0.00 O ATOM 320 CB SER A 20 32.391 42.393 15.951 1.00 0.00 C ATOM 321 OG SER A 20 31.793 43.651 15.738 1.00 0.00 O ATOM 0 H SER A 20 32.519 44.159 17.663 1.00 0.00 H new ATOM 0 HA SER A 20 33.455 41.451 17.579 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.865 42.060 15.028 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.618 41.664 16.193 1.00 0.00 H new ATOM 0 HG SER A 20 31.139 43.583 15.012 1.00 0.00 H new ATOM 327 N ASP A 21 35.644 43.543 16.968 1.00 0.00 N ATOM 328 CA ASP A 21 37.054 43.620 16.642 1.00 0.00 C ATOM 329 C ASP A 21 37.829 42.497 17.333 1.00 0.00 C ATOM 330 O ASP A 21 37.689 42.278 18.534 1.00 0.00 O ATOM 331 CB ASP A 21 37.631 44.980 17.024 1.00 0.00 C ATOM 332 CG ASP A 21 37.428 46.047 15.947 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.331 46.639 15.844 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.379 46.306 15.179 1.00 0.00 O ATOM 0 H ASP A 21 35.323 44.295 17.578 1.00 0.00 H new ATOM 0 HA ASP A 21 37.156 43.499 15.564 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.167 45.316 17.951 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.697 44.872 17.222 1.00 0.00 H new ATOM 339 N THR A 22 38.688 41.799 16.594 1.00 0.00 N ATOM 340 CA THR A 22 39.528 40.747 17.129 1.00 0.00 C ATOM 341 C THR A 22 40.721 41.309 17.905 1.00 0.00 C ATOM 342 O THR A 22 41.084 42.473 17.750 1.00 0.00 O ATOM 343 CB THR A 22 40.031 39.763 16.077 1.00 0.00 C ATOM 344 OG1 THR A 22 40.954 40.384 15.211 1.00 0.00 O ATOM 345 CG2 THR A 22 38.928 39.132 15.233 1.00 0.00 C ATOM 0 H THR A 22 38.817 41.955 15.594 1.00 0.00 H new ATOM 0 HA THR A 22 38.877 40.195 17.807 1.00 0.00 H new ATOM 0 HB THR A 22 40.505 38.963 16.646 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.470 40.877 14.516 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.370 38.446 14.510 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.242 38.585 15.880 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.382 39.914 14.704 1.00 0.00 H new ATOM 353 N ILE A 23 41.362 40.484 18.728 1.00 0.00 N ATOM 354 CA ILE A 23 42.596 40.849 19.394 1.00 0.00 C ATOM 355 C ILE A 23 43.667 41.218 18.366 1.00 0.00 C ATOM 356 O ILE A 23 44.393 42.190 18.559 1.00 0.00 O ATOM 357 CB ILE A 23 43.003 39.739 20.359 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.359 39.870 21.736 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.507 39.643 20.599 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.835 39.868 21.795 1.00 0.00 C ATOM 0 H ILE A 23 41.035 39.543 18.948 1.00 0.00 H new ATOM 0 HA ILE A 23 42.456 41.744 20.000 1.00 0.00 H new ATOM 0 HB ILE A 23 42.649 38.843 19.849 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.722 39.052 22.358 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.714 40.796 22.188 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.713 38.830 21.296 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.015 39.448 19.654 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.869 40.581 21.019 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.511 39.967 22.831 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.447 40.703 21.212 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.456 38.932 21.385 1.00 0.00 H new ATOM 372 N GLU A 24 43.718 40.532 17.228 1.00 0.00 N ATOM 373 CA GLU A 24 44.649 40.846 16.163 1.00 0.00 C ATOM 374 C GLU A 24 44.325 42.155 15.440 1.00 0.00 C ATOM 375 O GLU A 24 45.251 42.864 15.052 1.00 0.00 O ATOM 376 CB GLU A 24 44.754 39.658 15.211 1.00 0.00 C ATOM 377 CG GLU A 24 45.896 39.825 14.212 1.00 0.00 C ATOM 378 CD GLU A 24 46.230 38.501 13.521 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.222 37.848 13.912 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.560 38.141 12.529 1.00 0.00 O ATOM 0 H GLU A 24 43.109 39.740 17.023 1.00 0.00 H new ATOM 0 HA GLU A 24 45.627 41.020 16.613 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.906 38.745 15.786 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.814 39.542 14.671 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.621 40.569 13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.780 40.202 14.727 1.00 0.00 H new ATOM 387 N ASN A 25 43.057 42.537 15.321 1.00 0.00 N ATOM 388 CA ASN A 25 42.700 43.860 14.845 1.00 0.00 C ATOM 389 C ASN A 25 43.273 44.955 15.747 1.00 0.00 C ATOM 390 O ASN A 25 43.871 45.900 15.237 1.00 0.00 O ATOM 391 CB ASN A 25 41.192 44.053 14.719 1.00 0.00 C ATOM 392 CG ASN A 25 40.545 43.216 13.613 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.704 42.357 13.867 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.916 43.447 12.357 1.00 0.00 N ATOM 0 H ASN A 25 42.260 41.943 15.550 1.00 0.00 H new ATOM 0 HA ASN A 25 43.138 43.943 13.850 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.724 43.802 15.671 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.986 45.107 14.530 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.502 42.909 11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.615 44.162 12.155 1.00 0.00 H new ATOM 401 N VAL A 26 43.154 44.823 17.065 1.00 0.00 N ATOM 402 CA VAL A 26 43.697 45.799 17.988 1.00 0.00 C ATOM 403 C VAL A 26 45.221 45.870 17.875 1.00 0.00 C ATOM 404 O VAL A 26 45.759 46.971 17.796 1.00 0.00 O ATOM 405 CB VAL A 26 43.207 45.556 19.413 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.909 46.434 20.445 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.716 45.869 19.490 1.00 0.00 C ATOM 0 H VAL A 26 42.681 44.040 17.515 1.00 0.00 H new ATOM 0 HA VAL A 26 43.321 46.783 17.709 1.00 0.00 H new ATOM 0 HB VAL A 26 43.425 44.513 19.643 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.516 46.214 21.438 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.980 46.233 20.426 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.733 47.484 20.210 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.360 45.697 20.506 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.548 46.911 19.218 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.172 45.223 18.801 1.00 0.00 H new ATOM 417 N LYS A 27 45.917 44.744 17.742 1.00 0.00 N ATOM 418 CA LYS A 27 47.349 44.723 17.525 1.00 0.00 C ATOM 419 C LYS A 27 47.768 45.400 16.218 1.00 0.00 C ATOM 420 O LYS A 27 48.694 46.208 16.222 1.00 0.00 O ATOM 421 CB LYS A 27 47.877 43.292 17.579 1.00 0.00 C ATOM 422 CG LYS A 27 47.760 42.662 18.963 1.00 0.00 C ATOM 423 CD LYS A 27 48.192 41.199 18.909 1.00 0.00 C ATOM 424 CE LYS A 27 48.045 40.565 20.289 1.00 0.00 C ATOM 425 NZ LYS A 27 48.455 39.153 20.270 1.00 0.00 N ATOM 0 H LYS A 27 45.494 43.817 17.783 1.00 0.00 H new ATOM 0 HA LYS A 27 47.795 45.304 18.333 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.329 42.682 16.861 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.922 43.285 17.271 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.381 43.207 19.673 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.732 42.733 19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.585 40.658 18.184 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.227 41.128 18.575 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.651 41.113 21.011 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.009 40.642 20.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.913 38.625 20.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.272 38.751 19.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.470 39.083 20.485 1.00 0.00 H new ATOM 439 N ALA A 28 47.081 45.131 15.111 1.00 0.00 N ATOM 440 CA ALA A 28 47.339 45.753 13.829 1.00 0.00 C ATOM 441 C ALA A 28 47.014 47.248 13.805 1.00 0.00 C ATOM 442 O ALA A 28 47.676 48.019 13.114 1.00 0.00 O ATOM 443 CB ALA A 28 46.559 44.985 12.766 1.00 0.00 C ATOM 0 H ALA A 28 46.314 44.459 15.087 1.00 0.00 H new ATOM 0 HA ALA A 28 48.408 45.701 13.624 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.736 45.434 11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.888 43.946 12.753 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.494 45.025 12.996 1.00 0.00 H new ATOM 449 N LYS A 29 46.046 47.692 14.602 1.00 0.00 N ATOM 450 CA LYS A 29 45.706 49.086 14.801 1.00 0.00 C ATOM 451 C LYS A 29 46.723 49.812 15.684 1.00 0.00 C ATOM 452 O LYS A 29 47.005 50.983 15.443 1.00 0.00 O ATOM 453 CB LYS A 29 44.286 49.169 15.354 1.00 0.00 C ATOM 454 CG LYS A 29 43.252 48.860 14.275 1.00 0.00 C ATOM 455 CD LYS A 29 41.858 48.671 14.867 1.00 0.00 C ATOM 456 CE LYS A 29 40.821 48.646 13.747 1.00 0.00 C ATOM 457 NZ LYS A 29 39.449 48.679 14.275 1.00 0.00 N ATOM 0 H LYS A 29 45.457 47.061 15.145 1.00 0.00 H new ATOM 0 HA LYS A 29 45.743 49.604 13.843 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.174 48.467 16.180 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.108 50.166 15.757 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.232 49.671 13.548 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.545 47.958 13.738 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.817 47.741 15.434 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.636 49.480 15.563 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.978 49.499 13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.958 47.748 13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.783 48.865 13.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.223 47.763 14.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.369 49.432 14.988 1.00 0.00 H new ATOM 471 N ILE A 30 47.330 49.122 16.645 1.00 0.00 N ATOM 472 CA ILE A 30 48.475 49.594 17.398 1.00 0.00 C ATOM 473 C ILE A 30 49.710 49.692 16.500 1.00 0.00 C ATOM 474 O ILE A 30 50.430 50.683 16.595 1.00 0.00 O ATOM 475 CB ILE A 30 48.692 48.735 18.641 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.584 48.986 19.659 1.00 0.00 C ATOM 477 CG2 ILE A 30 50.049 48.988 19.291 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.484 47.928 20.754 1.00 0.00 C ATOM 0 H ILE A 30 47.025 48.190 16.926 1.00 0.00 H new ATOM 0 HA ILE A 30 48.280 50.605 17.756 1.00 0.00 H new ATOM 0 HB ILE A 30 48.668 47.695 18.316 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.747 49.958 20.124 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.630 49.040 19.134 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.155 48.353 20.171 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.842 48.757 18.579 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.121 50.034 19.588 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.671 48.184 21.434 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.287 46.955 20.303 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.422 47.888 21.308 1.00 0.00 H new ATOM 490 N GLN A 31 49.939 48.758 15.580 1.00 0.00 N ATOM 491 CA GLN A 31 51.001 48.857 14.600 1.00 0.00 C ATOM 492 C GLN A 31 50.874 50.125 13.751 1.00 0.00 C ATOM 493 O GLN A 31 51.818 50.908 13.679 1.00 0.00 O ATOM 494 CB GLN A 31 51.049 47.606 13.728 1.00 0.00 C ATOM 495 CG GLN A 31 52.261 47.614 12.799 1.00 0.00 C ATOM 496 CD GLN A 31 52.385 46.342 11.959 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.404 45.703 11.582 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.604 45.916 11.644 1.00 0.00 N ATOM 0 H GLN A 31 49.384 47.906 15.499 1.00 0.00 H new ATOM 0 HA GLN A 31 51.945 48.929 15.141 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.082 46.721 14.363 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.136 47.539 13.136 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.196 48.475 12.134 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.166 47.738 13.394 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.423 46.440 11.953 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.721 45.065 11.094 1.00 0.00 H new ATOM 507 N ASP A 32 49.706 50.370 13.163 1.00 0.00 N ATOM 508 CA ASP A 32 49.464 51.526 12.324 1.00 0.00 C ATOM 509 C ASP A 32 49.614 52.862 13.055 1.00 0.00 C ATOM 510 O ASP A 32 50.026 53.846 12.445 1.00 0.00 O ATOM 511 CB ASP A 32 48.074 51.373 11.712 1.00 0.00 C ATOM 512 CG ASP A 32 47.720 52.499 10.738 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.456 52.729 9.754 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.669 53.146 10.933 1.00 0.00 O ATOM 0 H ASP A 32 48.895 49.760 13.261 1.00 0.00 H new ATOM 0 HA ASP A 32 50.228 51.556 11.547 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.016 50.418 11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.333 51.345 12.511 1.00 0.00 H new ATOM 519 N LYS A 33 49.321 52.919 14.351 1.00 0.00 N ATOM 520 CA LYS A 33 49.379 54.118 15.162 1.00 0.00 C ATOM 521 C LYS A 33 50.740 54.370 15.813 1.00 0.00 C ATOM 522 O LYS A 33 51.242 55.490 15.752 1.00 0.00 O ATOM 523 CB LYS A 33 48.224 54.054 16.158 1.00 0.00 C ATOM 524 CG LYS A 33 48.097 55.292 17.042 1.00 0.00 C ATOM 525 CD LYS A 33 46.696 55.468 17.621 1.00 0.00 C ATOM 526 CE LYS A 33 45.617 55.823 16.600 1.00 0.00 C ATOM 527 NZ LYS A 33 45.779 57.170 16.034 1.00 0.00 N ATOM 0 H LYS A 33 49.026 52.098 14.879 1.00 0.00 H new ATOM 0 HA LYS A 33 49.264 54.991 14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.292 53.915 15.610 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.354 53.178 16.794 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.816 55.224 17.858 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.358 56.176 16.460 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.409 54.545 18.125 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.728 56.249 18.380 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.635 55.091 15.792 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.638 55.750 17.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.018 57.352 15.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.734 57.875 16.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.700 57.237 15.555 1.00 0.00 H new ATOM 541 N GLU A 34 51.330 53.349 16.426 1.00 0.00 N ATOM 542 CA GLU A 34 52.464 53.440 17.324 1.00 0.00 C ATOM 543 C GLU A 34 53.716 52.713 16.827 1.00 0.00 C ATOM 544 O GLU A 34 54.803 52.967 17.341 1.00 0.00 O ATOM 545 CB GLU A 34 51.996 52.946 18.690 1.00 0.00 C ATOM 546 CG GLU A 34 52.970 53.054 19.860 1.00 0.00 C ATOM 547 CD GLU A 34 53.412 54.472 20.229 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.795 55.469 19.794 1.00 0.00 O ATOM 549 OE2 GLU A 34 54.386 54.613 20.999 1.00 0.00 O ATOM 0 H GLU A 34 51.010 52.389 16.300 1.00 0.00 H new ATOM 0 HA GLU A 34 52.791 54.478 17.383 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.094 53.497 18.954 1.00 0.00 H new ATOM 0 HB3 GLU A 34 51.711 51.899 18.587 1.00 0.00 H new ATOM 0 HG2 GLU A 34 52.509 52.598 20.736 1.00 0.00 H new ATOM 0 HG3 GLU A 34 53.858 52.466 19.625 1.00 0.00 H new ATOM 556 N GLY A 35 53.626 51.867 15.806 1.00 0.00 N ATOM 557 CA GLY A 35 54.780 51.272 15.161 1.00 0.00 C ATOM 558 C GLY A 35 55.349 50.013 15.818 1.00 0.00 C ATOM 559 O GLY A 35 56.557 49.795 15.765 1.00 0.00 O ATOM 0 H GLY A 35 52.736 51.575 15.402 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.510 51.030 14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.570 52.021 15.115 1.00 0.00 H new ATOM 563 N ILE A 36 54.502 49.199 16.444 1.00 0.00 N ATOM 564 CA ILE A 36 54.841 47.943 17.082 1.00 0.00 C ATOM 565 C ILE A 36 54.251 46.788 16.270 1.00 0.00 C ATOM 566 O ILE A 36 53.029 46.709 16.182 1.00 0.00 O ATOM 567 CB ILE A 36 54.337 47.917 18.521 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.720 49.131 19.363 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.772 46.636 19.227 1.00 0.00 C ATOM 570 CD1 ILE A 36 56.214 49.414 19.498 1.00 0.00 C ATOM 0 H ILE A 36 53.508 49.416 16.520 1.00 0.00 H new ATOM 0 HA ILE A 36 55.925 47.835 17.113 1.00 0.00 H new ATOM 0 HB ILE A 36 53.251 47.951 18.432 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.242 50.011 18.932 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.305 49.000 20.362 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.400 46.641 20.252 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.366 45.773 18.698 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.860 46.577 19.236 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.362 50.299 20.117 1.00 0.00 H new ATOM 0 HD12 ILE A 36 56.706 48.559 19.963 1.00 0.00 H new ATOM 0 HD13 ILE A 36 56.642 49.586 18.511 1.00 0.00 H new ATOM 582 N PRO A 37 55.030 45.873 15.699 1.00 0.00 N ATOM 583 CA PRO A 37 54.496 44.751 14.953 1.00 0.00 C ATOM 584 C PRO A 37 53.594 43.830 15.777 1.00 0.00 C ATOM 585 O PRO A 37 53.879 43.600 16.950 1.00 0.00 O ATOM 586 CB PRO A 37 55.691 43.991 14.383 1.00 0.00 C ATOM 587 CG PRO A 37 56.822 45.017 14.393 1.00 0.00 C ATOM 588 CD PRO A 37 56.471 45.942 15.554 1.00 0.00 C ATOM 0 HA PRO A 37 53.845 45.129 14.165 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.937 43.120 14.991 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.490 43.629 13.375 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.791 44.541 14.541 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.875 45.562 13.450 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.971 45.626 16.470 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.794 46.963 15.351 1.00 0.00 H new ATOM 596 N PRO A 38 52.531 43.261 15.217 1.00 0.00 N ATOM 597 CA PRO A 38 51.545 42.512 15.969 1.00 0.00 C ATOM 598 C PRO A 38 52.092 41.213 16.564 1.00 0.00 C ATOM 599 O PRO A 38 51.685 40.837 17.662 1.00 0.00 O ATOM 600 CB PRO A 38 50.393 42.256 15.001 1.00 0.00 C ATOM 601 CG PRO A 38 51.059 42.281 13.628 1.00 0.00 C ATOM 602 CD PRO A 38 52.127 43.354 13.828 1.00 0.00 C ATOM 0 HA PRO A 38 51.222 43.082 16.840 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.913 41.297 15.195 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.622 43.022 15.086 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.491 41.316 13.364 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.357 42.543 12.836 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.975 43.189 13.163 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.732 44.345 13.602 1.00 0.00 H new ATOM 610 N ASP A 39 53.061 40.564 15.924 1.00 0.00 N ATOM 611 CA ASP A 39 53.637 39.321 16.398 1.00 0.00 C ATOM 612 C ASP A 39 54.496 39.457 17.658 1.00 0.00 C ATOM 613 O ASP A 39 54.780 38.467 18.329 1.00 0.00 O ATOM 614 CB ASP A 39 54.390 38.630 15.266 1.00 0.00 C ATOM 615 CG ASP A 39 55.488 39.486 14.631 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.631 39.499 15.136 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.217 40.105 13.579 1.00 0.00 O ATOM 0 H ASP A 39 53.470 40.896 15.050 1.00 0.00 H new ATOM 0 HA ASP A 39 52.802 38.694 16.711 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.836 37.712 15.648 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.677 38.341 14.494 1.00 0.00 H new ATOM 622 N GLN A 40 54.847 40.682 18.039 1.00 0.00 N ATOM 623 CA GLN A 40 55.522 40.979 19.286 1.00 0.00 C ATOM 624 C GLN A 40 54.625 41.627 20.343 1.00 0.00 C ATOM 625 O GLN A 40 55.147 42.062 21.367 1.00 0.00 O ATOM 626 CB GLN A 40 56.823 41.737 19.031 1.00 0.00 C ATOM 627 CG GLN A 40 56.620 43.109 18.394 1.00 0.00 C ATOM 628 CD GLN A 40 57.906 43.935 18.411 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.103 44.796 19.264 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.832 43.696 17.485 1.00 0.00 N ATOM 0 H GLN A 40 54.663 41.510 17.472 1.00 0.00 H new ATOM 0 HA GLN A 40 55.790 40.023 19.737 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.353 41.860 19.976 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.462 41.137 18.383 1.00 0.00 H new ATOM 0 HG2 GLN A 40 56.280 42.986 17.366 1.00 0.00 H new ATOM 0 HG3 GLN A 40 55.835 43.646 18.928 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.671 42.981 16.775 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.703 44.228 17.485 1.00 0.00 H new ATOM 639 N GLN A 41 53.307 41.675 20.170 1.00 0.00 N ATOM 640 CA GLN A 41 52.393 42.233 21.146 1.00 0.00 C ATOM 641 C GLN A 41 51.688 41.145 21.958 1.00 0.00 C ATOM 642 O GLN A 41 50.945 40.337 21.404 1.00 0.00 O ATOM 643 CB GLN A 41 51.359 43.125 20.466 1.00 0.00 C ATOM 644 CG GLN A 41 51.931 44.356 19.768 1.00 0.00 C ATOM 645 CD GLN A 41 50.825 45.217 19.156 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.771 45.434 19.749 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.988 45.729 17.939 1.00 0.00 N ATOM 0 H GLN A 41 52.843 41.321 19.334 1.00 0.00 H new ATOM 0 HA GLN A 41 52.988 42.832 21.835 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.814 42.530 19.733 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.636 43.452 21.213 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.502 44.949 20.483 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.625 44.044 18.987 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.855 45.562 17.427 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.246 46.288 17.518 1.00 0.00 H new ATOM 656 N ARG A 42 51.829 41.177 23.280 1.00 0.00 N ATOM 657 CA ARG A 42 50.926 40.542 24.219 1.00 0.00 C ATOM 658 C ARG A 42 49.884 41.576 24.651 1.00 0.00 C ATOM 659 O ARG A 42 50.264 42.645 25.123 1.00 0.00 O ATOM 660 CB ARG A 42 51.669 40.018 25.444 1.00 0.00 C ATOM 661 CG ARG A 42 52.851 39.092 25.175 1.00 0.00 C ATOM 662 CD ARG A 42 53.543 38.740 26.490 1.00 0.00 C ATOM 663 NE ARG A 42 54.627 37.768 26.339 1.00 0.00 N ATOM 664 CZ ARG A 42 54.513 36.468 26.038 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.337 35.865 25.814 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.593 35.682 25.942 1.00 0.00 N ATOM 0 H ARG A 42 52.601 41.663 23.736 1.00 0.00 H new ATOM 0 HA ARG A 42 50.451 39.689 23.735 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.028 40.873 26.017 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.956 39.488 26.075 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.508 38.184 24.680 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.557 39.576 24.500 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.942 39.651 26.936 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.804 38.342 27.185 1.00 0.00 H new ATOM 0 HE ARG A 42 55.574 38.120 26.478 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.471 36.400 25.869 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.309 34.871 25.588 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.523 36.071 26.099 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.486 34.694 25.712 1.00 0.00 H new ATOM 680 N LEU A 43 48.594 41.280 24.525 1.00 0.00 N ATOM 681 CA LEU A 43 47.525 42.090 25.075 1.00 0.00 C ATOM 682 C LEU A 43 46.899 41.400 26.289 1.00 0.00 C ATOM 683 O LEU A 43 46.615 40.205 26.244 1.00 0.00 O ATOM 684 CB LEU A 43 46.497 42.437 24.003 1.00 0.00 C ATOM 685 CG LEU A 43 46.998 43.311 22.857 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.841 43.637 21.918 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.594 44.639 23.318 1.00 0.00 C ATOM 0 H LEU A 43 48.262 40.454 24.028 1.00 0.00 H new ATOM 0 HA LEU A 43 47.942 43.035 25.424 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.110 41.508 23.584 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.659 42.944 24.481 1.00 0.00 H new ATOM 0 HG LEU A 43 47.782 42.736 22.365 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.201 44.261 21.100 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.428 42.712 21.514 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.066 44.171 22.468 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.929 45.208 22.451 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.837 45.210 23.856 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.441 44.448 23.977 1.00 0.00 H new ATOM 699 N ILE A 44 46.705 42.155 27.366 1.00 0.00 N ATOM 700 CA ILE A 44 46.255 41.689 28.663 1.00 0.00 C ATOM 701 C ILE A 44 45.003 42.453 29.098 1.00 0.00 C ATOM 702 O ILE A 44 44.927 43.673 28.967 1.00 0.00 O ATOM 703 CB ILE A 44 47.393 41.780 29.676 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.466 40.747 29.346 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.925 41.619 31.119 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.755 40.871 30.153 1.00 0.00 C ATOM 0 H ILE A 44 46.868 43.162 27.351 1.00 0.00 H new ATOM 0 HA ILE A 44 45.971 40.638 28.599 1.00 0.00 H new ATOM 0 HB ILE A 44 47.809 42.784 29.597 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.051 39.752 29.505 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.710 40.825 28.287 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.781 41.694 31.790 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.207 42.404 31.358 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.452 40.645 31.242 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.453 40.093 29.845 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.202 41.850 29.977 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.532 40.759 31.214 1.00 0.00 H new ATOM 718 N PHE A 45 44.038 41.735 29.666 1.00 0.00 N ATOM 719 CA PHE A 45 42.919 42.293 30.396 1.00 0.00 C ATOM 720 C PHE A 45 42.549 41.405 31.586 1.00 0.00 C ATOM 721 O PHE A 45 42.623 40.181 31.493 1.00 0.00 O ATOM 722 CB PHE A 45 41.726 42.494 29.467 1.00 0.00 C ATOM 723 CG PHE A 45 40.569 43.220 30.112 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.656 44.599 30.337 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.431 42.519 30.532 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.612 45.278 30.975 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.379 43.196 31.159 1.00 0.00 C ATOM 728 CZ PHE A 45 38.468 44.576 31.377 1.00 0.00 C ATOM 0 H PHE A 45 44.019 40.716 29.626 1.00 0.00 H new ATOM 0 HA PHE A 45 43.212 43.267 30.788 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.050 43.053 28.589 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.382 41.521 29.116 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.533 45.141 30.017 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.365 41.453 30.371 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.688 46.340 31.157 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.499 42.654 31.474 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.654 45.100 31.856 1.00 0.00 H new ATOM 738 N ALA A 46 42.154 42.014 32.702 1.00 0.00 N ATOM 739 CA ALA A 46 41.763 41.336 33.921 1.00 0.00 C ATOM 740 C ALA A 46 42.746 40.249 34.361 1.00 0.00 C ATOM 741 O ALA A 46 42.366 39.126 34.687 1.00 0.00 O ATOM 742 CB ALA A 46 40.313 40.875 33.797 1.00 0.00 C ATOM 0 H ALA A 46 42.098 43.030 32.778 1.00 0.00 H new ATOM 0 HA ALA A 46 41.812 42.045 34.748 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.014 40.364 34.712 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.669 41.740 33.637 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.219 40.192 32.953 1.00 0.00 H new ATOM 748 N GLY A 47 44.040 40.553 34.324 1.00 0.00 N ATOM 749 CA GLY A 47 45.117 39.673 34.732 1.00 0.00 C ATOM 750 C GLY A 47 45.429 38.488 33.817 1.00 0.00 C ATOM 751 O GLY A 47 46.260 37.671 34.209 1.00 0.00 O ATOM 0 H GLY A 47 44.375 41.458 33.994 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.023 40.271 34.833 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.880 39.283 35.722 1.00 0.00 H new ATOM 755 N LYS A 48 44.813 38.356 32.646 1.00 0.00 N ATOM 756 CA LYS A 48 45.049 37.284 31.701 1.00 0.00 C ATOM 757 C LYS A 48 45.445 37.808 30.318 1.00 0.00 C ATOM 758 O LYS A 48 44.986 38.867 29.895 1.00 0.00 O ATOM 759 CB LYS A 48 43.838 36.361 31.618 1.00 0.00 C ATOM 760 CG LYS A 48 43.704 35.498 32.869 1.00 0.00 C ATOM 761 CD LYS A 48 42.494 34.569 32.813 1.00 0.00 C ATOM 762 CE LYS A 48 42.468 33.699 34.067 1.00 0.00 C ATOM 763 NZ LYS A 48 41.187 32.993 34.228 1.00 0.00 N ATOM 0 H LYS A 48 44.110 39.021 32.323 1.00 0.00 H new ATOM 0 HA LYS A 48 45.896 36.706 32.071 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.934 36.956 31.487 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.927 35.720 30.741 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.609 34.903 32.995 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.622 36.143 33.744 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.576 35.152 32.742 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.543 33.942 31.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 43.278 32.971 34.019 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.650 34.322 34.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.215 32.415 35.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.415 33.686 34.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.024 32.378 33.405 1.00 0.00 H new ATOM 777 N GLN A 49 46.275 37.049 29.610 1.00 0.00 N ATOM 778 CA GLN A 49 46.616 37.303 28.225 1.00 0.00 C ATOM 779 C GLN A 49 45.456 36.918 27.305 1.00 0.00 C ATOM 780 O GLN A 49 44.745 35.952 27.575 1.00 0.00 O ATOM 781 CB GLN A 49 47.894 36.569 27.830 1.00 0.00 C ATOM 782 CG GLN A 49 49.141 37.199 28.442 1.00 0.00 C ATOM 783 CD GLN A 49 50.417 36.492 27.979 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.959 36.806 26.922 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.930 35.517 28.726 1.00 0.00 N ATOM 0 H GLN A 49 46.736 36.225 29.996 1.00 0.00 H new ATOM 0 HA GLN A 49 46.800 38.372 28.112 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.824 35.528 28.146 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.987 36.567 26.744 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.189 38.253 28.167 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.075 37.156 29.529 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.480 35.256 29.604 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.773 35.031 28.421 1.00 0.00 H new ATOM 794 N LEU A 50 45.274 37.676 26.227 1.00 0.00 N ATOM 795 CA LEU A 50 44.186 37.512 25.284 1.00 0.00 C ATOM 796 C LEU A 50 44.666 36.878 23.978 1.00 0.00 C ATOM 797 O LEU A 50 45.787 37.109 23.529 1.00 0.00 O ATOM 798 CB LEU A 50 43.479 38.846 25.063 1.00 0.00 C ATOM 799 CG LEU A 50 43.072 39.638 26.302 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.340 40.901 25.860 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.155 38.863 27.244 1.00 0.00 C ATOM 0 H LEU A 50 45.902 38.442 25.984 1.00 0.00 H new ATOM 0 HA LEU A 50 43.458 36.819 25.705 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.131 39.477 24.459 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.582 38.658 24.473 1.00 0.00 H new ATOM 0 HG LEU A 50 43.989 39.862 26.848 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.044 41.476 26.737 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.000 41.505 25.237 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.453 40.626 25.290 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.905 39.486 28.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.241 38.588 26.717 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.663 37.961 27.585 1.00 0.00 H new ATOM 813 N GLU A 51 43.805 36.073 23.362 1.00 0.00 N ATOM 814 CA GLU A 51 44.099 35.279 22.185 1.00 0.00 C ATOM 815 C GLU A 51 43.556 35.898 20.896 1.00 0.00 C ATOM 816 O GLU A 51 42.414 36.349 20.819 1.00 0.00 O ATOM 817 CB GLU A 51 43.602 33.849 22.380 1.00 0.00 C ATOM 818 CG GLU A 51 44.516 33.034 23.290 1.00 0.00 C ATOM 819 CD GLU A 51 43.997 31.606 23.470 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.499 31.289 24.571 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.039 30.809 22.508 1.00 0.00 O ATOM 0 H GLU A 51 42.845 35.955 23.687 1.00 0.00 H new ATOM 0 HA GLU A 51 45.182 35.260 22.066 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.598 33.871 22.804 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.528 33.358 21.410 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.521 33.007 22.869 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.591 33.521 24.262 1.00 0.00 H new ATOM 828 N ASP A 52 44.387 35.876 19.858 1.00 0.00 N ATOM 829 CA ASP A 52 44.213 36.544 18.585 1.00 0.00 C ATOM 830 C ASP A 52 42.990 36.080 17.790 1.00 0.00 C ATOM 831 O ASP A 52 42.392 36.886 17.079 1.00 0.00 O ATOM 832 CB ASP A 52 45.496 36.391 17.775 1.00 0.00 C ATOM 833 CG ASP A 52 46.667 37.110 18.448 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.015 38.241 18.043 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.233 36.576 19.425 1.00 0.00 O ATOM 0 H ASP A 52 45.261 35.351 19.894 1.00 0.00 H new ATOM 0 HA ASP A 52 44.015 37.595 18.793 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.733 35.333 17.661 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.346 36.794 16.773 1.00 0.00 H new ATOM 840 N GLY A 53 42.560 34.831 17.945 1.00 0.00 N ATOM 841 CA GLY A 53 41.375 34.281 17.318 1.00 0.00 C ATOM 842 C GLY A 53 40.039 34.672 17.956 1.00 0.00 C ATOM 843 O GLY A 53 39.017 34.111 17.569 1.00 0.00 O ATOM 0 H GLY A 53 43.048 34.155 18.532 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.362 34.593 16.274 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.455 33.194 17.325 1.00 0.00 H new ATOM 847 N ARG A 54 40.022 35.576 18.931 1.00 0.00 N ATOM 848 CA ARG A 54 38.873 35.965 19.722 1.00 0.00 C ATOM 849 C ARG A 54 38.592 37.466 19.625 1.00 0.00 C ATOM 850 O ARG A 54 39.423 38.229 19.137 1.00 0.00 O ATOM 851 CB ARG A 54 39.077 35.533 21.171 1.00 0.00 C ATOM 852 CG ARG A 54 39.566 34.106 21.404 1.00 0.00 C ATOM 853 CD ARG A 54 38.611 33.017 20.924 1.00 0.00 C ATOM 854 NE ARG A 54 37.551 32.752 21.897 1.00 0.00 N ATOM 855 CZ ARG A 54 37.151 31.578 22.407 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.757 30.406 22.178 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.079 31.546 23.211 1.00 0.00 N ATOM 0 H ARG A 54 40.864 36.084 19.201 1.00 0.00 H new ATOM 0 HA ARG A 54 37.995 35.458 19.321 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.791 36.216 21.631 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.131 35.658 21.699 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.524 33.978 20.900 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.746 33.968 22.470 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.166 33.317 19.975 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.170 32.100 20.738 1.00 0.00 H new ATOM 0 HE ARG A 54 37.047 33.573 22.234 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.582 30.367 21.579 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.394 29.553 22.602 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.578 32.408 23.428 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.764 30.660 23.606 1.00 0.00 H new ATOM 871 N THR A 55 37.432 37.904 20.106 1.00 0.00 N ATOM 872 CA THR A 55 36.929 39.261 20.045 1.00 0.00 C ATOM 873 C THR A 55 36.719 39.882 21.428 1.00 0.00 C ATOM 874 O THR A 55 36.645 39.171 22.428 1.00 0.00 O ATOM 875 CB THR A 55 35.617 39.329 19.268 1.00 0.00 C ATOM 876 OG1 THR A 55 34.669 38.439 19.814 1.00 0.00 O ATOM 877 CG2 THR A 55 35.793 38.989 17.791 1.00 0.00 C ATOM 0 H THR A 55 36.781 37.276 20.578 1.00 0.00 H new ATOM 0 HA THR A 55 37.697 39.836 19.529 1.00 0.00 H new ATOM 0 HB THR A 55 35.270 40.359 19.350 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.872 38.938 20.088 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.829 39.053 17.286 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.489 39.694 17.336 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.187 37.977 17.695 1.00 0.00 H new ATOM 885 N LEU A 56 36.563 41.201 21.501 1.00 0.00 N ATOM 886 CA LEU A 56 36.226 41.886 22.732 1.00 0.00 C ATOM 887 C LEU A 56 34.920 41.366 23.338 1.00 0.00 C ATOM 888 O LEU A 56 34.852 41.145 24.545 1.00 0.00 O ATOM 889 CB LEU A 56 36.119 43.393 22.515 1.00 0.00 C ATOM 890 CG LEU A 56 37.393 44.078 22.030 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.130 45.558 21.772 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.541 43.973 23.031 1.00 0.00 C ATOM 0 H LEU A 56 36.669 41.823 20.699 1.00 0.00 H new ATOM 0 HA LEU A 56 37.036 41.681 23.432 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.327 43.583 21.791 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.812 43.857 23.452 1.00 0.00 H new ATOM 0 HG LEU A 56 37.684 43.563 21.115 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.047 46.036 21.426 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.357 45.663 21.011 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.798 46.035 22.694 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.420 44.478 22.631 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.249 44.442 23.970 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.775 42.923 23.207 1.00 0.00 H new ATOM 904 N SER A 57 33.912 41.115 22.508 1.00 0.00 N ATOM 905 CA SER A 57 32.646 40.525 22.898 1.00 0.00 C ATOM 906 C SER A 57 32.779 39.126 23.503 1.00 0.00 C ATOM 907 O SER A 57 32.059 38.809 24.447 1.00 0.00 O ATOM 908 CB SER A 57 31.714 40.476 21.690 1.00 0.00 C ATOM 909 OG SER A 57 32.325 39.883 20.567 1.00 0.00 O ATOM 0 H SER A 57 33.961 41.326 21.511 1.00 0.00 H new ATOM 0 HA SER A 57 32.234 41.161 23.682 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.815 39.917 21.950 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.398 41.488 21.437 1.00 0.00 H new ATOM 0 HG SER A 57 32.839 40.560 20.079 1.00 0.00 H new ATOM 915 N ASP A 58 33.731 38.313 23.053 1.00 0.00 N ATOM 916 CA ASP A 58 33.943 36.966 23.541 1.00 0.00 C ATOM 917 C ASP A 58 34.584 36.917 24.930 1.00 0.00 C ATOM 918 O ASP A 58 34.347 35.976 25.682 1.00 0.00 O ATOM 919 CB ASP A 58 34.750 36.219 22.483 1.00 0.00 C ATOM 920 CG ASP A 58 34.894 34.728 22.796 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.894 34.351 23.444 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.053 33.919 22.351 1.00 0.00 O ATOM 0 H ASP A 58 34.388 38.585 22.322 1.00 0.00 H new ATOM 0 HA ASP A 58 32.981 36.475 23.688 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.268 36.338 21.513 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.740 36.667 22.404 1.00 0.00 H new ATOM 927 N TYR A 59 35.328 37.953 25.308 1.00 0.00 N ATOM 928 CA TYR A 59 35.754 38.213 26.668 1.00 0.00 C ATOM 929 C TYR A 59 34.785 39.096 27.456 1.00 0.00 C ATOM 930 O TYR A 59 34.988 39.309 28.650 1.00 0.00 O ATOM 931 CB TYR A 59 37.162 38.799 26.644 1.00 0.00 C ATOM 932 CG TYR A 59 38.245 37.875 26.140 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.743 36.862 26.968 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.790 38.066 24.865 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.786 36.038 26.529 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.835 37.251 24.414 1.00 0.00 C ATOM 937 CZ TYR A 59 40.336 36.230 25.247 1.00 0.00 C ATOM 938 OH TYR A 59 41.333 35.428 24.775 1.00 0.00 O ATOM 0 H TYR A 59 35.659 38.656 24.647 1.00 0.00 H new ATOM 0 HA TYR A 59 35.759 37.263 27.202 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.153 39.693 26.021 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.421 39.117 27.654 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.320 36.715 27.951 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.402 38.846 24.226 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.167 35.258 27.171 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.256 37.404 23.431 1.00 0.00 H new ATOM 0 HH TYR A 59 41.096 35.103 23.881 1.00 0.00 H new ATOM 948 N ASN A 60 33.735 39.608 26.820 1.00 0.00 N ATOM 949 CA ASN A 60 32.789 40.572 27.343 1.00 0.00 C ATOM 950 C ASN A 60 33.452 41.829 27.911 1.00 0.00 C ATOM 951 O ASN A 60 33.138 42.288 29.007 1.00 0.00 O ATOM 952 CB ASN A 60 31.782 39.862 28.244 1.00 0.00 C ATOM 953 CG ASN A 60 30.512 40.664 28.529 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.319 41.810 28.128 1.00 0.00 O ATOM 955 ND2 ASN A 60 29.566 40.059 29.244 1.00 0.00 N ATOM 0 H ASN A 60 33.513 39.338 25.862 1.00 0.00 H new ATOM 0 HA ASN A 60 32.207 40.994 26.524 1.00 0.00 H new ATOM 0 HB2 ASN A 60 31.503 38.916 27.781 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.266 39.623 29.191 1.00 0.00 H new ATOM 0 HD21 ASN A 60 28.694 40.546 29.453 1.00 0.00 H new ATOM 0 HD22 ASN A 60 29.713 39.108 29.583 1.00 0.00 H new ATOM 962 N ILE A 61 34.403 42.376 27.160 1.00 0.00 N ATOM 963 CA ILE A 61 35.083 43.626 27.432 1.00 0.00 C ATOM 964 C ILE A 61 34.258 44.759 26.819 1.00 0.00 C ATOM 965 O ILE A 61 33.923 44.711 25.638 1.00 0.00 O ATOM 966 CB ILE A 61 36.515 43.611 26.904 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.324 42.472 27.520 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.204 44.945 27.171 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.712 42.263 26.922 1.00 0.00 C ATOM 0 H ILE A 61 34.733 41.932 26.303 1.00 0.00 H new ATOM 0 HA ILE A 61 35.164 43.778 28.508 1.00 0.00 H new ATOM 0 HB ILE A 61 36.464 43.450 25.827 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.431 42.660 28.588 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.757 41.547 27.414 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.223 44.911 26.786 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.655 45.744 26.674 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.227 45.134 28.244 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.205 41.432 27.427 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.620 42.038 25.859 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.304 43.169 27.052 1.00 0.00 H new ATOM 981 N GLN A 62 33.917 45.760 27.623 1.00 0.00 N ATOM 982 CA GLN A 62 32.964 46.800 27.293 1.00 0.00 C ATOM 983 C GLN A 62 33.616 48.183 27.236 1.00 0.00 C ATOM 984 O GLN A 62 34.795 48.338 27.547 1.00 0.00 O ATOM 985 CB GLN A 62 31.818 46.731 28.299 1.00 0.00 C ATOM 986 CG GLN A 62 31.140 45.366 28.356 1.00 0.00 C ATOM 987 CD GLN A 62 29.993 45.288 29.365 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.560 46.267 29.970 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.428 44.103 29.576 1.00 0.00 N ATOM 0 H GLN A 62 34.315 45.869 28.556 1.00 0.00 H new ATOM 0 HA GLN A 62 32.571 46.634 26.290 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.199 46.980 29.289 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.075 47.487 28.044 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.758 45.119 27.366 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.885 44.611 28.608 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.773 43.279 29.084 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.650 44.018 30.230 1.00 0.00 H new ATOM 998 N LYS A 63 32.850 49.201 26.853 1.00 0.00 N ATOM 999 CA LYS A 63 33.263 50.588 26.783 1.00 0.00 C ATOM 1000 C LYS A 63 34.064 51.097 27.983 1.00 0.00 C ATOM 1001 O LYS A 63 33.853 50.667 29.116 1.00 0.00 O ATOM 1002 CB LYS A 63 32.041 51.477 26.569 1.00 0.00 C ATOM 1003 CG LYS A 63 31.042 51.463 27.723 1.00 0.00 C ATOM 1004 CD LYS A 63 29.862 52.389 27.447 1.00 0.00 C ATOM 1005 CE LYS A 63 28.883 52.477 28.614 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.235 51.187 28.896 1.00 0.00 N ATOM 0 H LYS A 63 31.879 49.068 26.571 1.00 0.00 H new ATOM 0 HA LYS A 63 33.949 50.639 25.938 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.376 52.501 26.407 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.531 51.160 25.659 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.680 50.447 27.881 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.541 51.770 28.642 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.237 53.387 27.219 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.332 52.038 26.562 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.412 52.818 29.504 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.121 53.223 28.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.542 51.307 29.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.750 50.848 28.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.954 50.493 29.185 1.00 0.00 H new ATOM 1020 N GLU A 64 34.958 52.049 27.730 1.00 0.00 N ATOM 1021 CA GLU A 64 35.788 52.754 28.686 1.00 0.00 C ATOM 1022 C GLU A 64 36.721 51.874 29.520 1.00 0.00 C ATOM 1023 O GLU A 64 37.239 52.304 30.548 1.00 0.00 O ATOM 1024 CB GLU A 64 34.965 53.722 29.533 1.00 0.00 C ATOM 1025 CG GLU A 64 33.847 54.490 28.835 1.00 0.00 C ATOM 1026 CD GLU A 64 34.267 55.261 27.582 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.331 55.916 27.598 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.491 55.270 26.602 1.00 0.00 O ATOM 0 H GLU A 64 35.129 52.367 26.776 1.00 0.00 H new ATOM 0 HA GLU A 64 36.478 53.342 28.081 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.524 53.159 30.355 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.648 54.448 29.974 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.061 53.786 28.562 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.413 55.193 29.546 1.00 0.00 H new ATOM 1035 N SER A 65 36.957 50.639 29.086 1.00 0.00 N ATOM 1036 CA SER A 65 37.871 49.700 29.704 1.00 0.00 C ATOM 1037 C SER A 65 39.330 49.963 29.327 1.00 0.00 C ATOM 1038 O SER A 65 39.614 50.393 28.211 1.00 0.00 O ATOM 1039 CB SER A 65 37.515 48.260 29.345 1.00 0.00 C ATOM 1040 OG SER A 65 36.203 47.953 29.759 1.00 0.00 O ATOM 0 H SER A 65 36.495 50.256 28.261 1.00 0.00 H new ATOM 0 HA SER A 65 37.765 49.846 30.779 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.605 48.115 28.268 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.220 47.577 29.818 1.00 0.00 H new ATOM 0 HG SER A 65 35.632 47.831 28.972 1.00 0.00 H new ATOM 1046 N THR A 66 40.250 49.651 30.235 1.00 0.00 N ATOM 1047 CA THR A 66 41.680 49.783 30.040 1.00 0.00 C ATOM 1048 C THR A 66 42.333 48.404 29.929 1.00 0.00 C ATOM 1049 O THR A 66 42.245 47.581 30.838 1.00 0.00 O ATOM 1050 CB THR A 66 42.338 50.617 31.136 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.749 51.896 31.203 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.823 50.852 30.873 1.00 0.00 C ATOM 0 H THR A 66 40.006 49.287 31.156 1.00 0.00 H new ATOM 0 HA THR A 66 41.835 50.319 29.103 1.00 0.00 H new ATOM 0 HB THR A 66 42.202 50.053 32.059 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.180 52.418 31.911 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.245 51.450 31.681 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.340 49.894 30.823 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.946 51.381 29.928 1.00 0.00 H new ATOM 1060 N LEU A 67 43.005 48.166 28.806 1.00 0.00 N ATOM 1061 CA LEU A 67 43.805 46.994 28.514 1.00 0.00 C ATOM 1062 C LEU A 67 45.289 47.340 28.647 1.00 0.00 C ATOM 1063 O LEU A 67 45.671 48.508 28.631 1.00 0.00 O ATOM 1064 CB LEU A 67 43.484 46.457 27.121 1.00 0.00 C ATOM 1065 CG LEU A 67 42.084 45.891 26.896 1.00 0.00 C ATOM 1066 CD1 LEU A 67 40.985 46.946 26.804 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.054 45.104 25.589 1.00 0.00 C ATOM 0 H LEU A 67 43.001 48.831 28.032 1.00 0.00 H new ATOM 0 HA LEU A 67 43.566 46.208 29.231 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.642 47.263 26.404 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.206 45.675 26.886 1.00 0.00 H new ATOM 0 HG LEU A 67 41.883 45.271 27.770 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.024 46.457 26.644 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.951 47.518 27.731 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.194 47.617 25.971 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.054 44.701 25.430 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.315 45.763 24.761 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.771 44.285 25.641 1.00 0.00 H new ATOM 1079 N HIS A 68 46.143 46.325 28.749 1.00 0.00 N ATOM 1080 CA HIS A 68 47.569 46.490 28.944 1.00 0.00 C ATOM 1081 C HIS A 68 48.352 45.814 27.817 1.00 0.00 C ATOM 1082 O HIS A 68 48.104 44.656 27.489 1.00 0.00 O ATOM 1083 CB HIS A 68 47.941 45.969 30.330 1.00 0.00 C ATOM 1084 CG HIS A 68 47.230 46.704 31.433 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.072 46.285 32.085 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.586 47.934 31.919 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.757 47.257 32.944 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.644 48.262 32.874 1.00 0.00 N ATOM 0 H HIS A 68 45.851 45.349 28.697 1.00 0.00 H new ATOM 0 HA HIS A 68 47.838 47.545 28.901 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.701 44.908 30.392 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.018 46.061 30.472 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.435 48.529 31.616 1.00 0.00 H new ATOM 0 HE1 HIS A 68 44.904 47.237 33.606 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.625 49.118 33.429 1.00 0.00 H new ATOM 1096 N LEU A 69 49.300 46.534 27.223 1.00 0.00 N ATOM 1097 CA LEU A 69 50.228 46.025 26.233 1.00 0.00 C ATOM 1098 C LEU A 69 51.545 45.627 26.901 1.00 0.00 C ATOM 1099 O LEU A 69 52.097 46.408 27.674 1.00 0.00 O ATOM 1100 CB LEU A 69 50.423 47.083 25.151 1.00 0.00 C ATOM 1101 CG LEU A 69 51.527 46.817 24.133 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.280 45.566 23.293 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.662 47.993 23.170 1.00 0.00 C ATOM 0 H LEU A 69 49.443 47.523 27.429 1.00 0.00 H new ATOM 0 HA LEU A 69 49.829 45.127 25.763 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.482 47.198 24.612 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.630 48.036 25.638 1.00 0.00 H new ATOM 0 HG LEU A 69 52.435 46.674 24.718 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.101 45.433 22.589 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.217 44.696 23.946 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.345 45.675 22.744 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.454 47.785 22.451 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.721 48.139 22.640 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.907 48.895 23.730 1.00 0.00 H new ATOM 1115 N VAL A 70 52.089 44.467 26.545 1.00 0.00 N ATOM 1116 CA VAL A 70 53.420 44.022 26.908 1.00 0.00 C ATOM 1117 C VAL A 70 54.108 43.474 25.656 1.00 0.00 C ATOM 1118 O VAL A 70 53.555 42.621 24.965 1.00 0.00 O ATOM 1119 CB VAL A 70 53.368 42.975 28.016 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.759 42.518 28.450 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.644 43.481 29.260 1.00 0.00 C ATOM 0 H VAL A 70 51.589 43.787 25.972 1.00 0.00 H new ATOM 0 HA VAL A 70 53.993 44.863 27.298 1.00 0.00 H new ATOM 0 HB VAL A 70 52.821 42.138 27.582 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.667 41.773 29.240 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.281 42.081 27.598 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.324 43.373 28.821 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.634 42.699 30.019 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.160 44.358 29.650 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.619 43.748 29.001 1.00 0.00 H new ATOM 1131 N LEU A 71 55.309 43.941 25.329 1.00 0.00 N ATOM 1132 CA LEU A 71 56.065 43.435 24.201 1.00 0.00 C ATOM 1133 C LEU A 71 56.666 42.063 24.513 1.00 0.00 C ATOM 1134 O LEU A 71 57.417 41.918 25.475 1.00 0.00 O ATOM 1135 CB LEU A 71 57.128 44.439 23.759 1.00 0.00 C ATOM 1136 CG LEU A 71 56.643 45.454 22.727 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.509 46.353 23.212 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.815 46.346 22.328 1.00 0.00 C ATOM 0 H LEU A 71 55.782 44.683 25.844 1.00 0.00 H new ATOM 0 HA LEU A 71 55.380 43.302 23.364 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.491 44.975 24.636 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.976 43.894 23.345 1.00 0.00 H new ATOM 0 HG LEU A 71 56.252 44.874 21.891 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.226 47.043 22.417 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.649 45.740 23.483 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.840 46.919 24.083 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.482 47.076 21.591 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.193 46.866 23.208 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.609 45.734 21.900 1.00 0.00 H new ATOM 1150 N ARG A 72 56.402 41.076 23.662 1.00 0.00 N ATOM 1151 CA ARG A 72 56.840 39.699 23.767 1.00 0.00 C ATOM 1152 C ARG A 72 58.359 39.540 23.683 1.00 0.00 C ATOM 1153 O ARG A 72 58.907 38.605 24.264 1.00 0.00 O ATOM 1154 CB ARG A 72 56.119 38.890 22.693 1.00 0.00 C ATOM 1155 CG ARG A 72 56.423 37.394 22.702 1.00 0.00 C ATOM 1156 CD ARG A 72 55.579 36.595 21.713 1.00 0.00 C ATOM 1157 NE ARG A 72 54.202 36.407 22.171 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.085 36.935 21.653 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.082 37.757 20.594 1.00 0.00 N ATOM 1160 NH2 ARG A 72 51.896 36.643 22.197 1.00 0.00 N ATOM 0 H ARG A 72 55.838 41.234 22.827 1.00 0.00 H new ATOM 0 HA ARG A 72 56.580 39.323 24.756 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.045 39.028 22.815 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.384 39.294 21.716 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.478 37.244 22.471 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.258 37.004 23.706 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.571 37.107 20.751 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.040 35.621 21.552 1.00 0.00 H new ATOM 0 HE ARG A 72 54.078 35.801 22.982 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.961 38.009 20.141 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.201 38.130 20.241 1.00 0.00 H new ATOM 0 HH21 ARG A 72 51.843 36.020 23.003 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.044 37.043 21.805 1.00 0.00 H new ATOM 1174 N LEU A 73 59.051 40.469 23.029 1.00 0.00 N ATOM 1175 CA LEU A 73 60.495 40.512 22.918 1.00 0.00 C ATOM 1176 C LEU A 73 61.195 41.096 24.147 1.00 0.00 C ATOM 1177 O LEU A 73 62.412 41.260 24.141 1.00 0.00 O ATOM 1178 CB LEU A 73 60.883 41.240 21.635 1.00 0.00 C ATOM 1179 CG LEU A 73 60.389 40.599 20.341 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.813 41.455 19.152 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.948 39.196 20.124 1.00 0.00 C ATOM 0 H LEU A 73 58.596 41.242 22.544 1.00 0.00 H new ATOM 0 HA LEU A 73 60.849 39.482 22.870 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.498 42.259 21.685 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.970 41.311 21.593 1.00 0.00 H new ATOM 0 HG LEU A 73 59.304 40.530 20.424 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.460 40.996 18.229 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.383 42.452 19.249 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.900 41.530 19.127 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.562 38.791 19.189 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.036 39.241 20.078 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.646 38.552 20.950 1.00 0.00 H new ATOM 1193 N ARG A 74 60.455 41.414 25.206 1.00 0.00 N ATOM 1194 CA ARG A 74 60.936 41.904 26.482 1.00 0.00 C ATOM 1195 C ARG A 74 60.167 41.228 27.619 1.00 0.00 C ATOM 1196 O ARG A 74 59.148 40.579 27.397 1.00 0.00 O ATOM 1197 CB ARG A 74 60.839 43.426 26.519 1.00 0.00 C ATOM 1198 CG ARG A 74 61.702 44.116 25.466 1.00 0.00 C ATOM 1199 CD ARG A 74 61.609 45.639 25.524 1.00 0.00 C ATOM 1200 NE ARG A 74 62.295 46.246 24.383 1.00 0.00 N ATOM 1201 CZ ARG A 74 62.350 47.547 24.067 1.00 0.00 C ATOM 1202 NH1 ARG A 74 61.783 48.502 24.816 1.00 0.00 N ATOM 1203 NH2 ARG A 74 63.001 47.903 22.952 1.00 0.00 N ATOM 0 H ARG A 74 59.439 41.329 25.188 1.00 0.00 H new ATOM 0 HA ARG A 74 61.987 41.649 26.615 1.00 0.00 H new ATOM 0 HB2 ARG A 74 59.799 43.720 26.375 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.135 43.777 27.507 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.741 43.815 25.602 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.399 43.776 24.476 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.563 45.944 25.529 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.050 46.000 26.453 1.00 0.00 H new ATOM 0 HE ARG A 74 62.787 45.607 23.758 1.00 0.00 H new ATOM 0 HH11 ARG A 74 61.282 48.251 25.669 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.852 49.480 24.534 1.00 0.00 H new ATOM 0 HH21 ARG A 74 63.439 47.191 22.368 1.00 0.00 H new ATOM 0 HH22 ARG A 74 63.059 48.886 22.687 1.00 0.00 H new ATOM 1217 N GLY A 75 60.655 41.350 28.851 1.00 0.00 N ATOM 1218 CA GLY A 75 60.028 40.788 30.030 1.00 0.00 C ATOM 1219 C GLY A 75 60.081 39.261 30.125 1.00 0.00 C ATOM 1220 O GLY A 75 59.150 38.660 30.656 1.00 0.00 O ATOM 0 H GLY A 75 61.517 41.855 29.055 1.00 0.00 H new ATOM 0 HA2 GLY A 75 60.508 41.209 30.914 1.00 0.00 H new ATOM 0 HA3 GLY A 75 58.985 41.103 30.053 1.00 0.00 H new ATOM 1224 N GLY A 76 61.131 38.644 29.590 1.00 0.00 N ATOM 1225 CA GLY A 76 61.363 37.214 29.599 1.00 0.00 C ATOM 1226 C GLY A 76 60.386 36.442 28.709 1.00 0.00 C ATOM 1227 O GLY A 76 60.431 36.633 27.475 1.00 0.00 O ATOM 1228 OXT GLY A 76 59.618 35.607 29.232 1.00 0.00 O ATOM 0 H GLY A 76 61.875 39.158 29.117 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.382 37.015 29.267 1.00 0.00 H new ATOM 0 HA3 GLY A 76 61.283 36.845 30.622 1.00 0.00 H new TER 1232 GLY A 76