USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 124:sc= 0.453 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 1.36 USER MOD Set 2.1: A 7 THR OG1 : rot 143:sc= 1.21 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.09 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 175:sc= 0.919 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 120:sc= 0.81 USER MOD Single : A 1 MET CE :methyl 180:sc=-0.00909 (180deg=-0.00909) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.36 (180deg=2.23) USER MOD Single : A 2 GLN : amide:sc= 1.07 K(o=1.1,f=-0.56) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=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= 0.318 USER MOD Single : A 25 ASN : amide:sc= -0.371 K(o=-0.37,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.7 (180deg=1.26) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 2.07 (180deg=1.71) USER MOD Single : A 31 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.44) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 1.13 (180deg=0.994) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 41 GLN : amide:sc= 1.28 K(o=1.3,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0154) USER MOD Single : A 49 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.021) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.475 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 96:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.352 52.153 19.577 1.00 0.00 N ATOM 2 CA MET A 1 33.605 52.531 20.975 1.00 0.00 C ATOM 3 C MET A 1 35.107 52.738 21.179 1.00 0.00 C ATOM 4 O MET A 1 35.888 52.217 20.386 1.00 0.00 O ATOM 5 CB MET A 1 33.031 51.505 21.948 1.00 0.00 C ATOM 6 CG MET A 1 33.688 50.128 21.908 1.00 0.00 C ATOM 7 SD MET A 1 33.013 48.982 23.135 1.00 0.00 S ATOM 8 CE MET A 1 34.256 47.668 23.073 1.00 0.00 C ATOM 0 H1 MET A 1 32.327 52.111 19.409 1.00 0.00 H new ATOM 0 H2 MET A 1 33.778 52.860 18.944 1.00 0.00 H new ATOM 0 H3 MET A 1 33.772 51.221 19.388 1.00 0.00 H new ATOM 0 HA MET A 1 33.093 53.469 21.188 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.117 51.901 22.960 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.967 51.388 21.741 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.562 49.701 20.913 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.760 50.239 22.074 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.987 46.879 23.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.300 47.257 22.065 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.230 48.076 23.342 1.00 0.00 H new ATOM 20 N GLN A 2 35.527 53.437 22.231 1.00 0.00 N ATOM 21 CA GLN A 2 36.929 53.587 22.564 1.00 0.00 C ATOM 22 C GLN A 2 37.368 52.662 23.701 1.00 0.00 C ATOM 23 O GLN A 2 36.607 52.401 24.632 1.00 0.00 O ATOM 24 CB GLN A 2 37.315 55.049 22.766 1.00 0.00 C ATOM 25 CG GLN A 2 36.887 55.681 24.087 1.00 0.00 C ATOM 26 CD GLN A 2 37.193 57.180 24.144 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.876 57.757 23.300 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.724 57.901 25.158 1.00 0.00 N ATOM 0 H GLN A 2 34.896 53.915 22.875 1.00 0.00 H new ATOM 0 HA GLN A 2 37.502 53.252 21.699 1.00 0.00 H new ATOM 0 HB2 GLN A 2 38.398 55.132 22.681 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.886 55.633 21.952 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.818 55.526 24.231 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.396 55.178 24.909 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.153 57.458 25.878 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.935 58.897 25.216 1.00 0.00 H new ATOM 37 N ILE A 3 38.612 52.198 23.634 1.00 0.00 N ATOM 38 CA ILE A 3 39.316 51.531 24.710 1.00 0.00 C ATOM 39 C ILE A 3 40.646 52.237 24.986 1.00 0.00 C ATOM 40 O ILE A 3 41.164 52.951 24.131 1.00 0.00 O ATOM 41 CB ILE A 3 39.518 50.042 24.445 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.317 49.780 23.172 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.176 49.317 24.460 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.839 48.352 23.037 1.00 0.00 C ATOM 0 H ILE A 3 39.177 52.283 22.789 1.00 0.00 H new ATOM 0 HA ILE A 3 38.692 51.597 25.601 1.00 0.00 H new ATOM 0 HB ILE A 3 40.125 49.634 25.253 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.689 50.007 22.310 1.00 0.00 H new ATOM 0 HG13 ILE A 3 41.162 50.467 23.140 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.334 48.255 24.270 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.704 49.445 25.434 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.530 49.732 23.687 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.395 48.254 22.104 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.496 48.124 23.876 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.000 47.657 23.034 1.00 0.00 H new ATOM 56 N PHE A 4 41.194 52.020 26.178 1.00 0.00 N ATOM 57 CA PHE A 4 42.402 52.675 26.634 1.00 0.00 C ATOM 58 C PHE A 4 43.555 51.687 26.818 1.00 0.00 C ATOM 59 O PHE A 4 43.471 50.761 27.622 1.00 0.00 O ATOM 60 CB PHE A 4 42.083 53.464 27.901 1.00 0.00 C ATOM 61 CG PHE A 4 40.951 54.455 27.772 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.910 55.365 26.707 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.918 54.459 28.716 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.834 56.252 26.573 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.852 55.359 28.597 1.00 0.00 C ATOM 66 CZ PHE A 4 38.796 56.243 27.513 1.00 0.00 C ATOM 0 H PHE A 4 40.800 51.372 26.860 1.00 0.00 H new ATOM 0 HA PHE A 4 42.749 53.372 25.872 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.840 52.760 28.697 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.980 53.999 28.212 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.713 55.383 25.985 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.943 53.763 29.542 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.805 56.943 25.744 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.071 55.371 29.343 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.957 56.914 27.402 1.00 0.00 H new ATOM 76 N VAL A 5 44.643 51.897 26.083 1.00 0.00 N ATOM 77 CA VAL A 5 45.801 51.028 26.013 1.00 0.00 C ATOM 78 C VAL A 5 46.951 51.629 26.822 1.00 0.00 C ATOM 79 O VAL A 5 47.483 52.682 26.477 1.00 0.00 O ATOM 80 CB VAL A 5 46.210 50.789 24.562 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.334 49.761 24.479 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.053 50.287 23.702 1.00 0.00 C ATOM 0 H VAL A 5 44.740 52.722 25.491 1.00 0.00 H new ATOM 0 HA VAL A 5 45.545 50.061 26.445 1.00 0.00 H new ATOM 0 HB VAL A 5 46.540 51.756 24.182 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.609 49.606 23.436 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.200 50.123 25.033 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.997 48.818 24.909 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.399 50.134 22.680 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.682 49.344 24.105 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.250 51.024 23.706 1.00 0.00 H new ATOM 92 N LYS A 6 47.350 50.942 27.889 1.00 0.00 N ATOM 93 CA LYS A 6 48.454 51.305 28.756 1.00 0.00 C ATOM 94 C LYS A 6 49.776 50.767 28.208 1.00 0.00 C ATOM 95 O LYS A 6 49.993 49.558 28.176 1.00 0.00 O ATOM 96 CB LYS A 6 48.190 50.777 30.163 1.00 0.00 C ATOM 97 CG LYS A 6 47.024 51.432 30.900 1.00 0.00 C ATOM 98 CD LYS A 6 47.328 52.850 31.373 1.00 0.00 C ATOM 99 CE LYS A 6 46.158 53.359 32.211 1.00 0.00 C ATOM 100 NZ LYS A 6 46.399 54.709 32.745 1.00 0.00 N ATOM 0 H LYS A 6 46.889 50.080 28.181 1.00 0.00 H new ATOM 0 HA LYS A 6 48.534 52.391 28.795 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.003 49.705 30.101 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.094 50.909 30.758 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.155 51.454 30.243 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.757 50.819 31.761 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.245 52.861 31.962 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.491 53.505 30.517 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.254 53.368 31.602 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.979 52.671 33.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.546 55.046 33.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.194 54.681 33.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.627 55.356 31.963 1.00 0.00 H new ATOM 114 N THR A 7 50.665 51.659 27.776 1.00 0.00 N ATOM 115 CA THR A 7 51.954 51.333 27.199 1.00 0.00 C ATOM 116 C THR A 7 52.977 50.884 28.245 1.00 0.00 C ATOM 117 O THR A 7 52.780 51.061 29.444 1.00 0.00 O ATOM 118 CB THR A 7 52.532 52.528 26.446 1.00 0.00 C ATOM 119 OG1 THR A 7 52.847 53.546 27.369 1.00 0.00 O ATOM 120 CG2 THR A 7 51.592 53.112 25.396 1.00 0.00 C ATOM 0 H THR A 7 50.495 52.664 27.823 1.00 0.00 H new ATOM 0 HA THR A 7 51.771 50.503 26.516 1.00 0.00 H new ATOM 0 HB THR A 7 53.413 52.160 25.921 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.672 53.996 27.091 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.075 53.957 24.905 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.355 52.349 24.655 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.673 53.448 25.877 1.00 0.00 H new ATOM 128 N LEU A 8 54.130 50.400 27.793 1.00 0.00 N ATOM 129 CA LEU A 8 55.293 50.177 28.628 1.00 0.00 C ATOM 130 C LEU A 8 55.912 51.463 29.183 1.00 0.00 C ATOM 131 O LEU A 8 56.712 51.415 30.114 1.00 0.00 O ATOM 132 CB LEU A 8 56.321 49.385 27.826 1.00 0.00 C ATOM 133 CG LEU A 8 55.938 47.940 27.519 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.982 47.333 26.587 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.862 47.083 28.779 1.00 0.00 C ATOM 0 H LEU A 8 54.279 50.149 26.816 1.00 0.00 H new ATOM 0 HA LEU A 8 54.967 49.615 29.503 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.500 49.904 26.884 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.263 49.385 28.374 1.00 0.00 H new ATOM 0 HG LEU A 8 54.952 47.954 27.056 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.714 46.300 26.364 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.020 47.906 25.661 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.959 47.358 27.070 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.586 46.063 28.510 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.833 47.077 29.274 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.112 47.495 29.455 1.00 0.00 H new ATOM 147 N THR A 9 55.526 52.624 28.662 1.00 0.00 N ATOM 148 CA THR A 9 55.871 53.942 29.156 1.00 0.00 C ATOM 149 C THR A 9 54.804 54.550 30.068 1.00 0.00 C ATOM 150 O THR A 9 54.912 55.716 30.442 1.00 0.00 O ATOM 151 CB THR A 9 56.205 54.895 28.013 1.00 0.00 C ATOM 152 OG1 THR A 9 55.097 55.039 27.152 1.00 0.00 O ATOM 153 CG2 THR A 9 57.371 54.414 27.152 1.00 0.00 C ATOM 0 H THR A 9 54.929 52.666 27.836 1.00 0.00 H new ATOM 0 HA THR A 9 56.761 53.802 29.770 1.00 0.00 H new ATOM 0 HB THR A 9 56.476 55.837 28.490 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.326 55.654 26.425 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.558 55.136 26.357 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.263 54.315 27.770 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.125 53.447 26.713 1.00 0.00 H new ATOM 161 N GLY A 10 53.754 53.809 30.410 1.00 0.00 N ATOM 162 CA GLY A 10 52.655 54.261 31.240 1.00 0.00 C ATOM 163 C GLY A 10 51.691 55.253 30.588 1.00 0.00 C ATOM 164 O GLY A 10 50.731 55.675 31.230 1.00 0.00 O ATOM 0 H GLY A 10 53.647 52.842 30.102 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.086 53.389 31.562 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.068 54.722 32.137 1.00 0.00 H new ATOM 168 N LYS A 11 51.923 55.614 29.329 1.00 0.00 N ATOM 169 CA LYS A 11 51.075 56.451 28.504 1.00 0.00 C ATOM 170 C LYS A 11 49.755 55.729 28.223 1.00 0.00 C ATOM 171 O LYS A 11 49.731 54.503 28.150 1.00 0.00 O ATOM 172 CB LYS A 11 51.846 56.770 27.228 1.00 0.00 C ATOM 173 CG LYS A 11 51.214 57.812 26.308 1.00 0.00 C ATOM 174 CD LYS A 11 52.148 58.100 25.137 1.00 0.00 C ATOM 175 CE LYS A 11 51.528 59.076 24.141 1.00 0.00 C ATOM 176 NZ LYS A 11 52.531 59.529 23.165 1.00 0.00 N ATOM 0 H LYS A 11 52.760 55.308 28.833 1.00 0.00 H new ATOM 0 HA LYS A 11 50.821 57.385 29.006 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.842 57.115 27.505 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.975 55.846 26.664 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.254 57.451 25.939 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.018 58.729 26.863 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.085 58.511 25.513 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.390 57.167 24.628 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.699 58.596 23.622 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.117 59.934 24.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.090 60.192 22.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.309 60.006 23.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.904 58.709 22.645 1.00 0.00 H new ATOM 190 N THR A 12 48.660 56.467 28.067 1.00 0.00 N ATOM 191 CA THR A 12 47.342 55.899 27.864 1.00 0.00 C ATOM 192 C THR A 12 46.812 56.264 26.475 1.00 0.00 C ATOM 193 O THR A 12 46.222 57.323 26.277 1.00 0.00 O ATOM 194 CB THR A 12 46.375 56.295 28.976 1.00 0.00 C ATOM 195 OG1 THR A 12 46.938 55.987 30.232 1.00 0.00 O ATOM 196 CG2 THR A 12 45.089 55.477 28.913 1.00 0.00 C ATOM 0 H THR A 12 48.669 57.487 28.079 1.00 0.00 H new ATOM 0 HA THR A 12 47.428 54.813 27.911 1.00 0.00 H new ATOM 0 HB THR A 12 46.176 57.359 28.850 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.024 56.807 30.762 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.422 55.784 29.719 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.599 55.643 27.954 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.325 54.418 29.021 1.00 0.00 H new ATOM 204 N ILE A 13 47.058 55.379 25.512 1.00 0.00 N ATOM 205 CA ILE A 13 46.723 55.562 24.114 1.00 0.00 C ATOM 206 C ILE A 13 45.268 55.155 23.877 1.00 0.00 C ATOM 207 O ILE A 13 44.814 54.120 24.359 1.00 0.00 O ATOM 208 CB ILE A 13 47.721 54.801 23.246 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.102 55.427 23.415 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.310 54.769 21.777 1.00 0.00 C ATOM 211 CD1 ILE A 13 50.223 54.774 22.611 1.00 0.00 C ATOM 0 H ILE A 13 47.513 54.485 25.697 1.00 0.00 H new ATOM 0 HA ILE A 13 46.801 56.612 23.830 1.00 0.00 H new ATOM 0 HB ILE A 13 47.742 53.763 23.577 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.042 56.478 23.134 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.370 55.394 24.471 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.054 54.216 21.203 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.340 54.280 21.681 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.242 55.788 21.396 1.00 0.00 H new ATOM 0 HD11 ILE A 13 51.161 55.295 22.804 1.00 0.00 H new ATOM 0 HD12 ILE A 13 50.321 53.729 22.906 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.989 54.830 21.548 1.00 0.00 H new ATOM 223 N THR A 14 44.526 55.968 23.130 1.00 0.00 N ATOM 224 CA THR A 14 43.144 55.715 22.781 1.00 0.00 C ATOM 225 C THR A 14 43.063 54.913 21.480 1.00 0.00 C ATOM 226 O THR A 14 43.846 55.147 20.562 1.00 0.00 O ATOM 227 CB THR A 14 42.379 57.032 22.695 1.00 0.00 C ATOM 228 OG1 THR A 14 42.434 57.665 23.954 1.00 0.00 O ATOM 229 CG2 THR A 14 40.898 56.871 22.363 1.00 0.00 C ATOM 0 H THR A 14 44.885 56.841 22.744 1.00 0.00 H new ATOM 0 HA THR A 14 42.676 55.113 23.560 1.00 0.00 H new ATOM 0 HB THR A 14 42.850 57.602 21.894 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.948 58.515 23.914 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.426 57.853 22.320 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.793 56.376 21.398 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.416 56.270 23.134 1.00 0.00 H new ATOM 237 N LEU A 15 42.126 53.973 21.398 1.00 0.00 N ATOM 238 CA LEU A 15 41.892 53.158 20.225 1.00 0.00 C ATOM 239 C LEU A 15 40.396 52.998 19.937 1.00 0.00 C ATOM 240 O LEU A 15 39.635 52.697 20.854 1.00 0.00 O ATOM 241 CB LEU A 15 42.565 51.807 20.451 1.00 0.00 C ATOM 242 CG LEU A 15 43.031 51.133 19.164 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.331 51.748 18.655 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.280 49.653 19.441 1.00 0.00 C ATOM 0 H LEU A 15 41.495 53.757 22.170 1.00 0.00 H new ATOM 0 HA LEU A 15 42.318 53.644 19.347 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.422 51.943 21.111 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.869 51.145 20.966 1.00 0.00 H new ATOM 0 HG LEU A 15 42.256 51.269 18.409 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.636 51.246 17.737 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.178 52.808 18.455 1.00 0.00 H new ATOM 0 HD13 LEU A 15 45.109 51.630 19.409 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.614 49.163 18.526 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.047 49.551 20.208 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.357 49.187 19.786 1.00 0.00 H new ATOM 256 N GLU A 16 39.984 53.156 18.682 1.00 0.00 N ATOM 257 CA GLU A 16 38.617 52.969 18.241 1.00 0.00 C ATOM 258 C GLU A 16 38.383 51.529 17.781 1.00 0.00 C ATOM 259 O GLU A 16 39.018 51.047 16.846 1.00 0.00 O ATOM 260 CB GLU A 16 38.263 53.997 17.169 1.00 0.00 C ATOM 261 CG GLU A 16 36.871 53.847 16.565 1.00 0.00 C ATOM 262 CD GLU A 16 35.719 54.130 17.531 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.755 55.155 18.245 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.709 53.394 17.515 1.00 0.00 O ATOM 0 H GLU A 16 40.615 53.425 17.927 1.00 0.00 H new ATOM 0 HA GLU A 16 37.944 53.136 19.082 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.349 54.994 17.601 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.999 53.932 16.368 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.786 54.521 15.712 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.764 52.832 16.181 1.00 0.00 H new ATOM 271 N VAL A 17 37.457 50.840 18.441 1.00 0.00 N ATOM 272 CA VAL A 17 37.172 49.425 18.316 1.00 0.00 C ATOM 273 C VAL A 17 35.670 49.134 18.328 1.00 0.00 C ATOM 274 O VAL A 17 34.857 49.954 18.750 1.00 0.00 O ATOM 275 CB VAL A 17 37.871 48.621 19.408 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.388 48.773 19.366 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.382 48.985 20.807 1.00 0.00 C ATOM 0 H VAL A 17 36.847 51.292 19.123 1.00 0.00 H new ATOM 0 HA VAL A 17 37.563 49.115 17.347 1.00 0.00 H new ATOM 0 HB VAL A 17 37.612 47.583 19.200 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.835 48.180 20.164 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.762 48.426 18.403 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.652 49.822 19.501 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.912 48.384 21.546 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.572 50.042 20.995 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.312 48.790 20.881 1.00 0.00 H new ATOM 287 N GLU A 18 35.287 47.927 17.918 1.00 0.00 N ATOM 288 CA GLU A 18 33.979 47.350 18.157 1.00 0.00 C ATOM 289 C GLU A 18 34.078 46.161 19.116 1.00 0.00 C ATOM 290 O GLU A 18 35.099 45.475 19.114 1.00 0.00 O ATOM 291 CB GLU A 18 33.357 46.906 16.837 1.00 0.00 C ATOM 292 CG GLU A 18 32.996 48.047 15.891 1.00 0.00 C ATOM 293 CD GLU A 18 31.980 49.029 16.477 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.056 48.613 17.209 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.071 50.242 16.185 1.00 0.00 O ATOM 0 H GLU A 18 35.904 47.308 17.393 1.00 0.00 H new ATOM 0 HA GLU A 18 33.345 48.109 18.615 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.052 46.237 16.330 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.457 46.329 17.050 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.903 48.590 15.627 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.595 47.629 14.968 1.00 0.00 H new ATOM 302 N PRO A 19 33.024 45.812 19.848 1.00 0.00 N ATOM 303 CA PRO A 19 32.922 44.528 20.510 1.00 0.00 C ATOM 304 C PRO A 19 33.130 43.340 19.568 1.00 0.00 C ATOM 305 O PRO A 19 33.566 42.268 19.982 1.00 0.00 O ATOM 306 CB PRO A 19 31.530 44.496 21.136 1.00 0.00 C ATOM 307 CG PRO A 19 31.170 45.969 21.313 1.00 0.00 C ATOM 308 CD PRO A 19 31.846 46.613 20.105 1.00 0.00 C ATOM 0 HA PRO A 19 33.713 44.428 21.253 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.814 43.985 20.492 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.533 43.969 22.090 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.092 46.128 21.309 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.548 46.370 22.253 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.181 46.621 19.241 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.113 47.649 20.311 1.00 0.00 H new ATOM 316 N SER A 20 32.831 43.529 18.286 1.00 0.00 N ATOM 317 CA SER A 20 33.034 42.591 17.202 1.00 0.00 C ATOM 318 C SER A 20 34.477 42.457 16.710 1.00 0.00 C ATOM 319 O SER A 20 34.720 41.612 15.851 1.00 0.00 O ATOM 320 CB SER A 20 32.165 43.032 16.028 1.00 0.00 C ATOM 321 OG SER A 20 30.819 43.174 16.421 1.00 0.00 O ATOM 0 H SER A 20 32.413 44.401 17.962 1.00 0.00 H new ATOM 0 HA SER A 20 32.765 41.611 17.597 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.534 43.979 15.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.237 42.301 15.223 1.00 0.00 H new ATOM 0 HG SER A 20 30.282 43.459 15.652 1.00 0.00 H new ATOM 327 N ASP A 21 35.426 43.270 17.167 1.00 0.00 N ATOM 328 CA ASP A 21 36.801 43.217 16.711 1.00 0.00 C ATOM 329 C ASP A 21 37.594 42.100 17.391 1.00 0.00 C ATOM 330 O ASP A 21 37.431 41.840 18.580 1.00 0.00 O ATOM 331 CB ASP A 21 37.506 44.557 16.893 1.00 0.00 C ATOM 332 CG ASP A 21 37.023 45.652 15.940 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.398 45.358 14.898 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.295 46.841 16.211 1.00 0.00 O ATOM 0 H ASP A 21 35.255 43.988 17.870 1.00 0.00 H new ATOM 0 HA ASP A 21 36.762 42.993 15.645 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.362 44.894 17.919 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.577 44.414 16.752 1.00 0.00 H new ATOM 339 N THR A 22 38.494 41.470 16.641 1.00 0.00 N ATOM 340 CA THR A 22 39.419 40.464 17.123 1.00 0.00 C ATOM 341 C THR A 22 40.604 41.081 17.868 1.00 0.00 C ATOM 342 O THR A 22 41.001 42.215 17.606 1.00 0.00 O ATOM 343 CB THR A 22 39.933 39.563 16.004 1.00 0.00 C ATOM 344 OG1 THR A 22 40.707 40.294 15.079 1.00 0.00 O ATOM 345 CG2 THR A 22 38.808 38.886 15.226 1.00 0.00 C ATOM 0 H THR A 22 38.598 41.658 15.644 1.00 0.00 H new ATOM 0 HA THR A 22 38.848 39.852 17.821 1.00 0.00 H new ATOM 0 HB THR A 22 40.535 38.801 16.499 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.026 39.694 14.373 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.234 38.258 14.443 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.216 38.270 15.904 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.169 39.645 14.775 1.00 0.00 H new ATOM 353 N ILE A 23 41.235 40.310 18.749 1.00 0.00 N ATOM 354 CA ILE A 23 42.458 40.703 19.419 1.00 0.00 C ATOM 355 C ILE A 23 43.574 41.012 18.418 1.00 0.00 C ATOM 356 O ILE A 23 44.296 41.989 18.602 1.00 0.00 O ATOM 357 CB ILE A 23 42.841 39.628 20.435 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.863 39.539 21.602 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.271 39.749 20.954 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.676 40.802 22.439 1.00 0.00 C ATOM 0 H ILE A 23 40.902 39.384 19.017 1.00 0.00 H new ATOM 0 HA ILE A 23 42.295 41.634 19.963 1.00 0.00 H new ATOM 0 HB ILE A 23 42.783 38.698 19.870 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.890 39.245 21.209 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.195 38.739 22.263 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.467 38.951 21.670 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.969 39.668 20.120 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.400 40.715 21.443 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.957 40.608 23.235 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.631 41.094 22.876 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.306 41.607 21.805 1.00 0.00 H new ATOM 372 N GLU A 24 43.690 40.272 17.319 1.00 0.00 N ATOM 373 CA GLU A 24 44.661 40.593 16.292 1.00 0.00 C ATOM 374 C GLU A 24 44.317 41.871 15.525 1.00 0.00 C ATOM 375 O GLU A 24 45.220 42.605 15.127 1.00 0.00 O ATOM 376 CB GLU A 24 44.854 39.417 15.339 1.00 0.00 C ATOM 377 CG GLU A 24 46.214 39.489 14.650 1.00 0.00 C ATOM 378 CD GLU A 24 46.201 38.707 13.335 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.737 39.270 12.320 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.597 37.521 13.310 1.00 0.00 O ATOM 0 H GLU A 24 43.122 39.448 17.122 1.00 0.00 H new ATOM 0 HA GLU A 24 45.604 40.785 16.804 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.771 38.480 15.890 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.062 39.418 14.590 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.474 40.530 14.456 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.982 39.086 15.310 1.00 0.00 H new ATOM 387 N ASN A 25 43.042 42.193 15.327 1.00 0.00 N ATOM 388 CA ASN A 25 42.633 43.450 14.734 1.00 0.00 C ATOM 389 C ASN A 25 42.959 44.633 15.648 1.00 0.00 C ATOM 390 O ASN A 25 43.449 45.651 15.165 1.00 0.00 O ATOM 391 CB ASN A 25 41.156 43.393 14.356 1.00 0.00 C ATOM 392 CG ASN A 25 40.692 44.679 13.669 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.932 45.478 14.212 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.104 44.917 12.428 1.00 0.00 N ATOM 0 H ASN A 25 42.264 41.582 15.577 1.00 0.00 H new ATOM 0 HA ASN A 25 43.203 43.609 13.819 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.984 42.545 13.693 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.558 43.224 15.252 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.789 45.754 11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.735 44.262 11.966 1.00 0.00 H new ATOM 401 N VAL A 26 42.809 44.488 16.962 1.00 0.00 N ATOM 402 CA VAL A 26 43.268 45.465 17.927 1.00 0.00 C ATOM 403 C VAL A 26 44.781 45.666 17.832 1.00 0.00 C ATOM 404 O VAL A 26 45.232 46.807 17.768 1.00 0.00 O ATOM 405 CB VAL A 26 42.822 45.102 19.340 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.407 46.014 20.415 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.303 45.206 19.449 1.00 0.00 C ATOM 0 H VAL A 26 42.359 43.676 17.385 1.00 0.00 H new ATOM 0 HA VAL A 26 42.803 46.421 17.685 1.00 0.00 H new ATOM 0 HB VAL A 26 43.181 44.087 19.509 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.048 45.698 21.395 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.495 45.954 20.391 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.096 47.042 20.229 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.992 44.945 20.461 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.991 46.226 19.225 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.840 44.521 18.739 1.00 0.00 H new ATOM 417 N LYS A 27 45.569 44.600 17.717 1.00 0.00 N ATOM 418 CA LYS A 27 47.000 44.686 17.509 1.00 0.00 C ATOM 419 C LYS A 27 47.371 45.395 16.205 1.00 0.00 C ATOM 420 O LYS A 27 48.283 46.220 16.198 1.00 0.00 O ATOM 421 CB LYS A 27 47.637 43.301 17.579 1.00 0.00 C ATOM 422 CG LYS A 27 47.585 42.695 18.980 1.00 0.00 C ATOM 423 CD LYS A 27 48.079 41.252 18.979 1.00 0.00 C ATOM 424 CE LYS A 27 48.050 40.712 20.406 1.00 0.00 C ATOM 425 NZ LYS A 27 48.518 39.318 20.468 1.00 0.00 N ATOM 0 H LYS A 27 45.221 43.643 17.767 1.00 0.00 H new ATOM 0 HA LYS A 27 47.400 45.299 18.317 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.127 42.636 16.882 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.676 43.367 17.255 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.196 43.290 19.659 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.563 42.731 19.356 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.450 40.640 18.333 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.092 41.202 18.579 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.676 41.335 21.044 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.035 40.773 20.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.179 38.877 21.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.148 38.791 19.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.558 39.300 20.450 1.00 0.00 H new ATOM 439 N ALA A 28 46.651 45.144 15.115 1.00 0.00 N ATOM 440 CA ALA A 28 46.843 45.822 13.849 1.00 0.00 C ATOM 441 C ALA A 28 46.436 47.297 13.881 1.00 0.00 C ATOM 442 O ALA A 28 47.085 48.125 13.246 1.00 0.00 O ATOM 443 CB ALA A 28 46.099 45.051 12.763 1.00 0.00 C ATOM 0 H ALA A 28 45.905 44.449 15.093 1.00 0.00 H new ATOM 0 HA ALA A 28 47.910 45.834 13.629 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.235 45.551 11.804 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.493 44.036 12.703 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.037 45.014 13.006 1.00 0.00 H new ATOM 449 N LYS A 29 45.422 47.667 14.659 1.00 0.00 N ATOM 450 CA LYS A 29 45.053 49.043 14.919 1.00 0.00 C ATOM 451 C LYS A 29 46.103 49.762 15.769 1.00 0.00 C ATOM 452 O LYS A 29 46.388 50.927 15.499 1.00 0.00 O ATOM 453 CB LYS A 29 43.673 49.088 15.570 1.00 0.00 C ATOM 454 CG LYS A 29 42.538 48.829 14.584 1.00 0.00 C ATOM 455 CD LYS A 29 41.208 48.726 15.325 1.00 0.00 C ATOM 456 CE LYS A 29 40.041 48.716 14.341 1.00 0.00 C ATOM 457 NZ LYS A 29 38.756 48.832 15.046 1.00 0.00 N ATOM 0 H LYS A 29 44.822 46.994 15.136 1.00 0.00 H new ATOM 0 HA LYS A 29 45.009 49.577 13.970 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.630 48.346 16.368 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.528 50.064 16.034 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.493 49.635 13.851 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.728 47.908 14.034 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.191 47.817 15.926 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.103 49.565 16.013 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.148 49.540 13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.059 47.794 13.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.005 49.060 14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.535 47.931 15.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.818 49.587 15.758 1.00 0.00 H new ATOM 471 N ILE A 30 46.724 49.082 16.730 1.00 0.00 N ATOM 472 CA ILE A 30 47.857 49.585 17.481 1.00 0.00 C ATOM 473 C ILE A 30 49.058 49.817 16.562 1.00 0.00 C ATOM 474 O ILE A 30 49.670 50.881 16.639 1.00 0.00 O ATOM 475 CB ILE A 30 48.157 48.683 18.673 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.060 48.823 19.725 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.520 48.973 19.297 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.064 47.741 20.801 1.00 0.00 C ATOM 0 H ILE A 30 46.441 48.143 17.010 1.00 0.00 H new ATOM 0 HA ILE A 30 47.609 50.561 17.899 1.00 0.00 H new ATOM 0 HB ILE A 30 48.184 47.658 18.302 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.160 49.795 20.207 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.092 48.814 19.224 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.684 48.303 20.141 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.301 48.817 18.553 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.549 50.006 19.643 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.250 47.923 21.503 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.930 46.765 20.336 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.015 47.761 21.334 1.00 0.00 H new ATOM 490 N GLN A 31 49.369 48.908 15.643 1.00 0.00 N ATOM 491 CA GLN A 31 50.426 49.068 14.665 1.00 0.00 C ATOM 492 C GLN A 31 50.292 50.363 13.861 1.00 0.00 C ATOM 493 O GLN A 31 51.286 51.049 13.631 1.00 0.00 O ATOM 494 CB GLN A 31 50.443 47.845 13.752 1.00 0.00 C ATOM 495 CG GLN A 31 51.669 47.797 12.844 1.00 0.00 C ATOM 496 CD GLN A 31 51.721 46.538 11.977 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.722 45.916 11.621 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.914 46.107 11.576 1.00 0.00 N ATOM 0 H GLN A 31 48.877 48.019 15.560 1.00 0.00 H new ATOM 0 HA GLN A 31 51.376 49.145 15.194 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.414 46.942 14.362 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.542 47.844 13.138 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.672 48.676 12.199 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.570 47.848 13.456 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.758 46.606 11.858 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.985 45.278 10.986 1.00 0.00 H new ATOM 507 N ASP A 32 49.070 50.757 13.513 1.00 0.00 N ATOM 508 CA ASP A 32 48.754 51.947 12.752 1.00 0.00 C ATOM 509 C ASP A 32 49.001 53.280 13.461 1.00 0.00 C ATOM 510 O ASP A 32 48.855 54.330 12.839 1.00 0.00 O ATOM 511 CB ASP A 32 47.305 51.837 12.283 1.00 0.00 C ATOM 512 CG ASP A 32 46.999 52.692 11.053 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.045 53.499 11.092 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.690 52.537 10.023 1.00 0.00 O ATOM 0 H ASP A 32 48.238 50.225 13.770 1.00 0.00 H new ATOM 0 HA ASP A 32 49.452 51.975 11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.082 50.794 12.056 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.644 52.134 13.097 1.00 0.00 H new ATOM 519 N LYS A 33 49.388 53.270 14.734 1.00 0.00 N ATOM 520 CA LYS A 33 49.842 54.442 15.453 1.00 0.00 C ATOM 521 C LYS A 33 51.136 54.267 16.250 1.00 0.00 C ATOM 522 O LYS A 33 51.919 55.211 16.329 1.00 0.00 O ATOM 523 CB LYS A 33 48.696 55.079 16.234 1.00 0.00 C ATOM 524 CG LYS A 33 48.098 54.255 17.370 1.00 0.00 C ATOM 525 CD LYS A 33 46.756 54.795 17.861 1.00 0.00 C ATOM 526 CE LYS A 33 46.803 56.221 18.399 1.00 0.00 C ATOM 527 NZ LYS A 33 45.495 56.676 18.895 1.00 0.00 N ATOM 0 H LYS A 33 49.392 52.423 15.302 1.00 0.00 H new ATOM 0 HA LYS A 33 50.152 55.160 14.693 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.050 56.023 16.649 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.898 55.319 15.531 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.968 53.226 17.035 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.800 54.232 18.203 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.041 54.754 17.040 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.380 54.137 18.645 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.534 56.278 19.205 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.144 56.893 17.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.619 57.541 19.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.868 56.875 18.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.072 55.934 19.488 1.00 0.00 H new ATOM 541 N GLU A 34 51.430 53.076 16.765 1.00 0.00 N ATOM 542 CA GLU A 34 52.597 52.776 17.567 1.00 0.00 C ATOM 543 C GLU A 34 53.675 51.941 16.873 1.00 0.00 C ATOM 544 O GLU A 34 54.763 51.789 17.425 1.00 0.00 O ATOM 545 CB GLU A 34 52.155 52.089 18.855 1.00 0.00 C ATOM 546 CG GLU A 34 51.554 53.053 19.874 1.00 0.00 C ATOM 547 CD GLU A 34 52.580 54.097 20.318 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.622 53.716 20.897 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.399 55.297 20.022 1.00 0.00 O ATOM 0 H GLU A 34 50.831 52.263 16.624 1.00 0.00 H new ATOM 0 HA GLU A 34 53.073 53.736 17.766 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.421 51.319 18.615 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.011 51.585 19.303 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.688 53.552 19.440 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.199 52.496 20.741 1.00 0.00 H new ATOM 556 N GLY A 35 53.414 51.399 15.686 1.00 0.00 N ATOM 557 CA GLY A 35 54.425 50.774 14.858 1.00 0.00 C ATOM 558 C GLY A 35 54.939 49.404 15.306 1.00 0.00 C ATOM 559 O GLY A 35 55.887 48.899 14.709 1.00 0.00 O ATOM 0 H GLY A 35 52.481 51.385 15.273 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.022 50.672 13.850 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.277 51.451 14.794 1.00 0.00 H new ATOM 563 N ILE A 36 54.337 48.774 16.311 1.00 0.00 N ATOM 564 CA ILE A 36 54.716 47.454 16.775 1.00 0.00 C ATOM 565 C ILE A 36 54.020 46.397 15.917 1.00 0.00 C ATOM 566 O ILE A 36 52.791 46.412 15.869 1.00 0.00 O ATOM 567 CB ILE A 36 54.395 47.256 18.255 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.893 48.393 19.143 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.002 45.935 18.716 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.409 48.314 20.587 1.00 0.00 C ATOM 0 H ILE A 36 53.559 49.179 16.831 1.00 0.00 H new ATOM 0 HA ILE A 36 55.796 47.350 16.673 1.00 0.00 H new ATOM 0 HB ILE A 36 53.310 47.246 18.354 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.983 48.394 19.136 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.571 49.342 18.715 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.780 45.781 19.772 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.578 45.117 18.133 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.082 45.961 18.573 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.807 49.158 21.151 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.320 48.345 20.608 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.754 47.383 21.036 1.00 0.00 H new ATOM 582 N PRO A 37 54.714 45.455 15.284 1.00 0.00 N ATOM 583 CA PRO A 37 54.075 44.372 14.563 1.00 0.00 C ATOM 584 C PRO A 37 53.239 43.476 15.480 1.00 0.00 C ATOM 585 O PRO A 37 53.695 43.186 16.583 1.00 0.00 O ATOM 586 CB PRO A 37 55.192 43.587 13.885 1.00 0.00 C ATOM 587 CG PRO A 37 56.339 44.591 13.803 1.00 0.00 C ATOM 588 CD PRO A 37 56.147 45.410 15.075 1.00 0.00 C ATOM 0 HA PRO A 37 53.371 44.768 13.832 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.471 42.706 14.463 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.894 43.238 12.897 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.311 44.097 13.780 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.275 45.209 12.908 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.654 44.947 15.922 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.561 46.412 14.964 1.00 0.00 H new ATOM 596 N PRO A 38 52.058 43.010 15.083 1.00 0.00 N ATOM 597 CA PRO A 38 51.190 42.199 15.912 1.00 0.00 C ATOM 598 C PRO A 38 51.848 40.987 16.577 1.00 0.00 C ATOM 599 O PRO A 38 51.611 40.764 17.761 1.00 0.00 O ATOM 600 CB PRO A 38 50.034 41.772 15.011 1.00 0.00 C ATOM 601 CG PRO A 38 49.894 42.978 14.087 1.00 0.00 C ATOM 602 CD PRO A 38 51.346 43.403 13.885 1.00 0.00 C ATOM 0 HA PRO A 38 50.872 42.798 16.765 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.261 40.859 14.460 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.122 41.584 15.578 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.412 42.715 13.145 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.298 43.770 14.540 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.772 42.922 13.005 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.417 44.479 13.726 1.00 0.00 H new ATOM 610 N ASP A 39 52.733 40.261 15.900 1.00 0.00 N ATOM 611 CA ASP A 39 53.431 39.118 16.452 1.00 0.00 C ATOM 612 C ASP A 39 54.410 39.460 17.575 1.00 0.00 C ATOM 613 O ASP A 39 54.831 38.578 18.321 1.00 0.00 O ATOM 614 CB ASP A 39 54.099 38.301 15.351 1.00 0.00 C ATOM 615 CG ASP A 39 55.426 38.868 14.842 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.483 40.081 14.544 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.393 38.092 14.680 1.00 0.00 O ATOM 0 H ASP A 39 52.986 40.460 14.932 1.00 0.00 H new ATOM 0 HA ASP A 39 52.664 38.505 16.925 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.271 37.291 15.722 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.410 38.219 14.511 1.00 0.00 H new ATOM 622 N GLN A 40 54.730 40.736 17.772 1.00 0.00 N ATOM 623 CA GLN A 40 55.516 41.231 18.885 1.00 0.00 C ATOM 624 C GLN A 40 54.661 41.748 20.044 1.00 0.00 C ATOM 625 O GLN A 40 55.224 42.069 21.088 1.00 0.00 O ATOM 626 CB GLN A 40 56.507 42.292 18.413 1.00 0.00 C ATOM 627 CG GLN A 40 57.404 41.845 17.264 1.00 0.00 C ATOM 628 CD GLN A 40 58.508 42.853 16.936 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.005 43.589 17.785 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.959 42.915 15.686 1.00 0.00 N ATOM 0 H GLN A 40 54.436 41.476 17.135 1.00 0.00 H new ATOM 0 HA GLN A 40 56.072 40.380 19.278 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.953 43.178 18.103 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.134 42.587 19.254 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.859 40.887 17.517 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.793 41.683 16.376 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.558 42.311 14.969 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.706 43.566 15.445 1.00 0.00 H new ATOM 639 N GLN A 41 53.339 41.824 19.919 1.00 0.00 N ATOM 640 CA GLN A 41 52.454 42.377 20.925 1.00 0.00 C ATOM 641 C GLN A 41 51.799 41.288 21.777 1.00 0.00 C ATOM 642 O GLN A 41 51.047 40.466 21.257 1.00 0.00 O ATOM 643 CB GLN A 41 51.365 43.232 20.285 1.00 0.00 C ATOM 644 CG GLN A 41 51.839 44.441 19.484 1.00 0.00 C ATOM 645 CD GLN A 41 50.660 45.230 18.910 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.631 45.429 19.553 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.724 45.702 17.669 1.00 0.00 N ATOM 0 H GLN A 41 52.846 41.492 19.090 1.00 0.00 H new ATOM 0 HA GLN A 41 53.073 42.997 21.573 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.773 42.596 19.627 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.698 43.583 21.073 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.436 45.091 20.123 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.486 44.110 18.672 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.564 45.554 17.110 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.933 46.213 17.276 1.00 0.00 H new ATOM 656 N ARG A 42 51.975 41.345 23.094 1.00 0.00 N ATOM 657 CA ARG A 42 51.065 40.778 24.069 1.00 0.00 C ATOM 658 C ARG A 42 50.070 41.855 24.505 1.00 0.00 C ATOM 659 O ARG A 42 50.483 42.970 24.813 1.00 0.00 O ATOM 660 CB ARG A 42 51.818 40.255 25.290 1.00 0.00 C ATOM 661 CG ARG A 42 52.746 39.071 25.039 1.00 0.00 C ATOM 662 CD ARG A 42 53.441 38.681 26.340 1.00 0.00 C ATOM 663 NE ARG A 42 54.412 37.605 26.142 1.00 0.00 N ATOM 664 CZ ARG A 42 55.413 37.277 26.970 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.588 37.827 28.179 1.00 0.00 N ATOM 666 NH2 ARG A 42 56.311 36.346 26.624 1.00 0.00 N ATOM 0 H ARG A 42 52.781 41.802 23.519 1.00 0.00 H new ATOM 0 HA ARG A 42 50.541 39.940 23.610 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.406 41.072 25.708 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.089 39.967 26.047 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.177 38.226 24.651 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.487 39.330 24.283 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.946 39.553 26.757 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.695 38.366 27.069 1.00 0.00 H new ATOM 0 HE ARG A 42 54.318 37.051 25.291 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.938 38.538 28.515 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.371 37.535 28.764 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.238 35.877 25.721 1.00 0.00 H new ATOM 0 HH22 ARG A 42 57.068 36.105 27.263 1.00 0.00 H new ATOM 680 N LEU A 43 48.782 41.530 24.563 1.00 0.00 N ATOM 681 CA LEU A 43 47.764 42.348 25.190 1.00 0.00 C ATOM 682 C LEU A 43 47.245 41.646 26.447 1.00 0.00 C ATOM 683 O LEU A 43 46.998 40.443 26.414 1.00 0.00 O ATOM 684 CB LEU A 43 46.642 42.674 24.208 1.00 0.00 C ATOM 685 CG LEU A 43 47.051 43.476 22.976 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.827 43.739 22.101 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.674 44.828 23.310 1.00 0.00 C ATOM 0 H LEU A 43 48.414 40.667 24.163 1.00 0.00 H new ATOM 0 HA LEU A 43 48.201 43.300 25.490 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.192 41.738 23.876 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.869 43.229 24.740 1.00 0.00 H new ATOM 0 HG LEU A 43 47.800 42.873 22.462 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.124 44.312 21.223 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.394 42.790 21.786 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.088 44.304 22.669 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.941 45.344 22.387 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.958 45.431 23.869 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.569 44.677 23.913 1.00 0.00 H new ATOM 699 N ILE A 44 47.101 42.376 27.550 1.00 0.00 N ATOM 700 CA ILE A 44 46.799 41.825 28.856 1.00 0.00 C ATOM 701 C ILE A 44 45.603 42.544 29.482 1.00 0.00 C ATOM 702 O ILE A 44 45.579 43.771 29.547 1.00 0.00 O ATOM 703 CB ILE A 44 48.015 41.838 29.778 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.276 41.331 29.085 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.725 41.015 31.030 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.539 41.276 29.940 1.00 0.00 C ATOM 0 H ILE A 44 47.195 43.392 27.554 1.00 0.00 H new ATOM 0 HA ILE A 44 46.527 40.778 28.719 1.00 0.00 H new ATOM 0 HB ILE A 44 48.204 42.874 30.058 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.078 40.330 28.702 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.473 41.969 28.223 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.597 41.028 31.684 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.870 41.441 31.556 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.500 39.987 30.746 1.00 0.00 H new ATOM 0 HD11 ILE A 44 51.368 40.901 29.340 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.777 42.276 30.302 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.375 40.612 30.789 1.00 0.00 H new ATOM 718 N PHE A 45 44.622 41.778 29.953 1.00 0.00 N ATOM 719 CA PHE A 45 43.465 42.268 30.672 1.00 0.00 C ATOM 720 C PHE A 45 42.933 41.218 31.649 1.00 0.00 C ATOM 721 O PHE A 45 42.881 40.038 31.310 1.00 0.00 O ATOM 722 CB PHE A 45 42.373 42.649 29.675 1.00 0.00 C ATOM 723 CG PHE A 45 41.087 43.129 30.303 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.094 44.255 31.136 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.887 42.448 30.068 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.908 44.700 31.732 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.699 42.888 30.666 1.00 0.00 C ATOM 728 CZ PHE A 45 38.710 44.015 31.497 1.00 0.00 C ATOM 0 H PHE A 45 44.617 40.765 29.837 1.00 0.00 H new ATOM 0 HA PHE A 45 43.763 43.144 31.249 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.755 43.431 29.019 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.155 41.785 29.047 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.019 44.782 31.319 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.877 41.581 29.424 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.917 45.570 32.372 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.775 42.358 30.486 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.794 44.356 31.957 1.00 0.00 H new ATOM 738 N ALA A 46 42.499 41.638 32.834 1.00 0.00 N ATOM 739 CA ALA A 46 41.814 40.825 33.820 1.00 0.00 C ATOM 740 C ALA A 46 42.460 39.464 34.089 1.00 0.00 C ATOM 741 O ALA A 46 41.789 38.435 34.131 1.00 0.00 O ATOM 742 CB ALA A 46 40.337 40.766 33.444 1.00 0.00 C ATOM 0 H ALA A 46 42.624 42.602 33.142 1.00 0.00 H new ATOM 0 HA ALA A 46 41.910 41.302 34.795 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.800 40.159 34.173 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.923 41.774 33.436 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.231 40.323 32.454 1.00 0.00 H new ATOM 748 N GLY A 47 43.782 39.432 34.230 1.00 0.00 N ATOM 749 CA GLY A 47 44.557 38.232 34.475 1.00 0.00 C ATOM 750 C GLY A 47 44.794 37.323 33.267 1.00 0.00 C ATOM 751 O GLY A 47 45.430 36.284 33.430 1.00 0.00 O ATOM 0 H GLY A 47 44.357 40.272 34.174 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.526 38.526 34.878 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.054 37.651 35.248 1.00 0.00 H new ATOM 755 N LYS A 48 44.323 37.679 32.076 1.00 0.00 N ATOM 756 CA LYS A 48 44.455 36.924 30.847 1.00 0.00 C ATOM 757 C LYS A 48 45.362 37.642 29.845 1.00 0.00 C ATOM 758 O LYS A 48 45.184 38.825 29.565 1.00 0.00 O ATOM 759 CB LYS A 48 43.080 36.657 30.242 1.00 0.00 C ATOM 760 CG LYS A 48 42.180 35.795 31.122 1.00 0.00 C ATOM 761 CD LYS A 48 40.849 35.495 30.437 1.00 0.00 C ATOM 762 CE LYS A 48 39.896 34.633 31.262 1.00 0.00 C ATOM 763 NZ LYS A 48 40.438 33.290 31.516 1.00 0.00 N ATOM 0 H LYS A 48 43.812 38.551 31.941 1.00 0.00 H new ATOM 0 HA LYS A 48 44.923 35.969 31.084 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.585 37.609 30.054 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.206 36.167 29.277 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.688 34.860 31.358 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.997 36.306 32.067 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.355 36.438 30.201 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.047 34.993 29.490 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.693 35.127 32.213 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.944 34.545 30.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.736 32.725 32.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.655 32.826 30.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.307 33.368 32.082 1.00 0.00 H new ATOM 777 N GLN A 49 46.298 36.901 29.261 1.00 0.00 N ATOM 778 CA GLN A 49 47.085 37.302 28.112 1.00 0.00 C ATOM 779 C GLN A 49 46.285 36.930 26.863 1.00 0.00 C ATOM 780 O GLN A 49 46.062 35.750 26.603 1.00 0.00 O ATOM 781 CB GLN A 49 48.458 36.645 28.229 1.00 0.00 C ATOM 782 CG GLN A 49 49.569 37.334 27.442 1.00 0.00 C ATOM 783 CD GLN A 49 49.511 37.088 25.933 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.162 37.966 25.146 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.850 35.888 25.471 1.00 0.00 N ATOM 0 H GLN A 49 46.535 35.966 29.593 1.00 0.00 H new ATOM 0 HA GLN A 49 47.273 38.374 28.053 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.742 36.616 29.281 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.380 35.612 27.891 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.518 38.407 27.626 1.00 0.00 H new ATOM 0 HG3 GLN A 49 50.533 36.991 27.818 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.140 35.156 26.119 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.820 35.700 24.469 1.00 0.00 H new ATOM 794 N LEU A 50 45.736 37.920 26.165 1.00 0.00 N ATOM 795 CA LEU A 50 44.569 37.770 25.318 1.00 0.00 C ATOM 796 C LEU A 50 44.850 37.026 24.010 1.00 0.00 C ATOM 797 O LEU A 50 45.923 37.151 23.426 1.00 0.00 O ATOM 798 CB LEU A 50 43.936 39.136 25.075 1.00 0.00 C ATOM 799 CG LEU A 50 43.530 39.905 26.329 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.972 41.274 25.951 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.475 39.172 27.153 1.00 0.00 C ATOM 0 H LEU A 50 46.104 38.871 26.177 1.00 0.00 H new ATOM 0 HA LEU A 50 43.860 37.135 25.849 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.638 39.746 24.507 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.053 39.002 24.450 1.00 0.00 H new ATOM 0 HG LEU A 50 44.432 40.004 26.933 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.686 41.812 26.855 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.733 41.842 25.416 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.098 41.147 25.312 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.224 39.765 28.033 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.580 39.023 26.549 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.866 38.204 27.467 1.00 0.00 H new ATOM 813 N GLU A 51 43.884 36.238 23.544 1.00 0.00 N ATOM 814 CA GLU A 51 44.040 35.278 22.471 1.00 0.00 C ATOM 815 C GLU A 51 43.592 35.818 21.111 1.00 0.00 C ATOM 816 O GLU A 51 42.490 36.340 20.961 1.00 0.00 O ATOM 817 CB GLU A 51 43.307 33.989 22.833 1.00 0.00 C ATOM 818 CG GLU A 51 43.948 33.285 24.025 1.00 0.00 C ATOM 819 CD GLU A 51 43.193 32.000 24.372 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.454 31.986 25.380 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.339 31.001 23.634 1.00 0.00 O ATOM 0 H GLU A 51 42.937 36.257 23.923 1.00 0.00 H new ATOM 0 HA GLU A 51 45.105 35.071 22.363 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.266 34.216 23.062 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.305 33.319 21.973 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.988 33.050 23.798 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.953 33.952 24.887 1.00 0.00 H new ATOM 828 N ASP A 52 44.443 35.666 20.101 1.00 0.00 N ATOM 829 CA ASP A 52 44.358 36.352 18.827 1.00 0.00 C ATOM 830 C ASP A 52 43.110 36.019 18.007 1.00 0.00 C ATOM 831 O ASP A 52 42.624 36.877 17.273 1.00 0.00 O ATOM 832 CB ASP A 52 45.617 36.056 18.017 1.00 0.00 C ATOM 833 CG ASP A 52 46.866 36.620 18.697 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.654 35.829 19.259 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.065 37.854 18.670 1.00 0.00 O ATOM 0 H ASP A 52 45.242 35.034 20.156 1.00 0.00 H new ATOM 0 HA ASP A 52 44.276 37.415 19.053 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.725 34.979 17.891 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.519 36.485 17.020 1.00 0.00 H new ATOM 840 N GLY A 53 42.578 34.808 18.135 1.00 0.00 N ATOM 841 CA GLY A 53 41.382 34.336 17.466 1.00 0.00 C ATOM 842 C GLY A 53 40.054 34.710 18.124 1.00 0.00 C ATOM 843 O GLY A 53 39.008 34.369 17.575 1.00 0.00 O ATOM 0 H GLY A 53 42.993 34.098 18.739 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.382 34.724 16.448 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.435 33.250 17.393 1.00 0.00 H new ATOM 847 N ARG A 54 40.051 35.379 19.273 1.00 0.00 N ATOM 848 CA ARG A 54 38.860 35.811 19.978 1.00 0.00 C ATOM 849 C ARG A 54 38.633 37.319 19.866 1.00 0.00 C ATOM 850 O ARG A 54 39.508 38.065 19.430 1.00 0.00 O ATOM 851 CB ARG A 54 38.889 35.331 21.427 1.00 0.00 C ATOM 852 CG ARG A 54 39.024 33.823 21.615 1.00 0.00 C ATOM 853 CD ARG A 54 37.996 32.967 20.882 1.00 0.00 C ATOM 854 NE ARG A 54 36.627 33.154 21.363 1.00 0.00 N ATOM 855 CZ ARG A 54 36.011 32.441 22.317 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.660 31.537 23.063 1.00 0.00 N ATOM 857 NH2 ARG A 54 34.708 32.614 22.575 1.00 0.00 N ATOM 0 H ARG A 54 40.912 35.642 19.752 1.00 0.00 H new ATOM 0 HA ARG A 54 38.001 35.347 19.494 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.719 35.819 21.937 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.974 35.661 21.919 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.019 33.523 21.287 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.960 33.602 22.680 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.033 33.201 19.818 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.269 31.917 20.987 1.00 0.00 H new ATOM 0 HE ARG A 54 36.087 33.902 20.929 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.656 31.373 22.914 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.158 31.013 23.780 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.169 33.296 22.042 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.255 32.063 23.304 1.00 0.00 H new ATOM 871 N THR A 55 37.433 37.757 20.234 1.00 0.00 N ATOM 872 CA THR A 55 36.954 39.121 20.121 1.00 0.00 C ATOM 873 C THR A 55 36.756 39.813 21.471 1.00 0.00 C ATOM 874 O THR A 55 36.691 39.172 22.517 1.00 0.00 O ATOM 875 CB THR A 55 35.644 39.191 19.342 1.00 0.00 C ATOM 876 OG1 THR A 55 34.645 38.464 20.020 1.00 0.00 O ATOM 877 CG2 THR A 55 35.733 38.650 17.918 1.00 0.00 C ATOM 0 H THR A 55 36.736 37.133 20.640 1.00 0.00 H new ATOM 0 HA THR A 55 37.741 39.650 19.583 1.00 0.00 H new ATOM 0 HB THR A 55 35.403 40.252 19.274 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.876 39.047 20.191 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.760 38.736 17.434 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.470 39.224 17.356 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.033 37.602 17.945 1.00 0.00 H new ATOM 885 N LEU A 56 36.593 41.132 21.458 1.00 0.00 N ATOM 886 CA LEU A 56 36.241 41.898 22.635 1.00 0.00 C ATOM 887 C LEU A 56 34.939 41.422 23.283 1.00 0.00 C ATOM 888 O LEU A 56 34.854 41.372 24.509 1.00 0.00 O ATOM 889 CB LEU A 56 36.182 43.381 22.279 1.00 0.00 C ATOM 890 CG LEU A 56 37.500 44.116 22.504 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.663 43.566 21.683 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.330 45.594 22.160 1.00 0.00 C ATOM 0 H LEU A 56 36.704 41.700 20.618 1.00 0.00 H new ATOM 0 HA LEU A 56 37.018 41.740 23.383 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.892 43.484 21.233 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.403 43.858 22.874 1.00 0.00 H new ATOM 0 HG LEU A 56 37.746 43.971 23.556 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.564 44.141 21.898 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.829 42.520 21.942 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.428 43.644 20.622 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.273 46.116 22.322 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.035 45.693 21.115 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.560 46.030 22.797 1.00 0.00 H new ATOM 904 N SER A 57 33.947 41.018 22.495 1.00 0.00 N ATOM 905 CA SER A 57 32.699 40.452 22.968 1.00 0.00 C ATOM 906 C SER A 57 32.828 39.022 23.497 1.00 0.00 C ATOM 907 O SER A 57 32.183 38.704 24.494 1.00 0.00 O ATOM 908 CB SER A 57 31.617 40.553 21.898 1.00 0.00 C ATOM 909 OG SER A 57 32.050 40.079 20.643 1.00 0.00 O ATOM 0 H SER A 57 33.997 41.080 21.478 1.00 0.00 H new ATOM 0 HA SER A 57 32.402 41.054 23.827 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.743 39.984 22.215 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.303 41.592 21.801 1.00 0.00 H new ATOM 0 HG SER A 57 32.550 40.784 20.182 1.00 0.00 H new ATOM 915 N ASP A 58 33.716 38.192 22.956 1.00 0.00 N ATOM 916 CA ASP A 58 34.070 36.925 23.563 1.00 0.00 C ATOM 917 C ASP A 58 34.638 37.091 24.974 1.00 0.00 C ATOM 918 O ASP A 58 34.405 36.244 25.833 1.00 0.00 O ATOM 919 CB ASP A 58 35.125 36.178 22.751 1.00 0.00 C ATOM 920 CG ASP A 58 34.645 35.642 21.400 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.647 34.890 21.360 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.356 35.844 20.393 1.00 0.00 O ATOM 0 H ASP A 58 34.207 38.385 22.083 1.00 0.00 H new ATOM 0 HA ASP A 58 33.137 36.362 23.596 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.970 36.846 22.580 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.494 35.342 23.345 1.00 0.00 H new ATOM 927 N TYR A 59 35.354 38.186 25.212 1.00 0.00 N ATOM 928 CA TYR A 59 35.887 38.597 26.496 1.00 0.00 C ATOM 929 C TYR A 59 34.970 39.509 27.311 1.00 0.00 C ATOM 930 O TYR A 59 35.372 39.957 28.383 1.00 0.00 O ATOM 931 CB TYR A 59 37.269 39.213 26.291 1.00 0.00 C ATOM 932 CG TYR A 59 38.374 38.233 25.977 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.769 37.315 26.958 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.034 38.268 24.743 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.831 36.437 26.712 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.107 37.405 24.491 1.00 0.00 C ATOM 937 CZ TYR A 59 40.516 36.489 25.480 1.00 0.00 C ATOM 938 OH TYR A 59 41.571 35.655 25.254 1.00 0.00 O ATOM 0 H TYR A 59 35.588 38.844 24.468 1.00 0.00 H new ATOM 0 HA TYR A 59 35.965 37.698 27.107 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.208 39.938 25.480 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.540 39.764 27.192 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.253 37.284 27.906 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.714 38.964 23.982 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.126 35.721 27.465 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.620 37.441 23.541 1.00 0.00 H new ATOM 0 HH TYR A 59 41.239 34.767 25.006 1.00 0.00 H new ATOM 948 N ASN A 60 33.747 39.783 26.867 1.00 0.00 N ATOM 949 CA ASN A 60 32.773 40.595 27.569 1.00 0.00 C ATOM 950 C ASN A 60 33.270 42.000 27.916 1.00 0.00 C ATOM 951 O ASN A 60 33.019 42.512 29.005 1.00 0.00 O ATOM 952 CB ASN A 60 32.235 39.779 28.741 1.00 0.00 C ATOM 953 CG ASN A 60 30.857 40.233 29.225 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.713 40.951 30.213 1.00 0.00 O ATOM 955 ND2 ASN A 60 29.787 39.815 28.556 1.00 0.00 N ATOM 0 H ASN A 60 33.400 39.430 25.975 1.00 0.00 H new ATOM 0 HA ASN A 60 31.938 40.824 26.907 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.180 38.731 28.448 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.940 39.841 29.570 1.00 0.00 H new ATOM 0 HD21 ASN A 60 28.854 40.090 28.863 1.00 0.00 H new ATOM 0 HD22 ASN A 60 29.899 39.219 27.736 1.00 0.00 H new ATOM 962 N ILE A 61 34.036 42.623 27.026 1.00 0.00 N ATOM 963 CA ILE A 61 34.654 43.921 27.210 1.00 0.00 C ATOM 964 C ILE A 61 33.688 45.043 26.824 1.00 0.00 C ATOM 965 O ILE A 61 33.040 45.000 25.781 1.00 0.00 O ATOM 966 CB ILE A 61 35.998 43.999 26.492 1.00 0.00 C ATOM 967 CG1 ILE A 61 36.976 43.010 27.118 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.586 45.406 26.531 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.314 42.855 26.400 1.00 0.00 C ATOM 0 H ILE A 61 34.249 42.213 26.117 1.00 0.00 H new ATOM 0 HA ILE A 61 34.874 44.059 28.268 1.00 0.00 H new ATOM 0 HB ILE A 61 35.830 43.742 25.446 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.170 43.320 28.145 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.495 42.033 27.165 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.542 45.415 26.008 1.00 0.00 H new ATOM 0 HG22 ILE A 61 35.900 46.100 26.046 1.00 0.00 H new ATOM 0 HG23 ILE A 61 36.736 45.709 27.567 1.00 0.00 H new ATOM 0 HD11 ILE A 61 38.930 42.129 26.931 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.142 42.509 25.381 1.00 0.00 H new ATOM 0 HD13 ILE A 61 38.827 43.816 26.375 1.00 0.00 H new ATOM 981 N GLN A 62 33.615 46.059 27.681 1.00 0.00 N ATOM 982 CA GLN A 62 32.749 47.215 27.569 1.00 0.00 C ATOM 983 C GLN A 62 33.475 48.475 27.093 1.00 0.00 C ATOM 984 O GLN A 62 34.699 48.560 27.155 1.00 0.00 O ATOM 985 CB GLN A 62 32.098 47.479 28.925 1.00 0.00 C ATOM 986 CG GLN A 62 31.199 46.348 29.417 1.00 0.00 C ATOM 987 CD GLN A 62 30.628 46.616 30.811 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.795 47.674 31.414 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.956 45.641 31.416 1.00 0.00 N ATOM 0 H GLN A 62 34.196 46.093 28.519 1.00 0.00 H new ATOM 0 HA GLN A 62 32.000 46.985 26.811 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.880 47.654 29.663 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.510 48.394 28.861 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.379 46.208 28.713 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.767 45.418 29.433 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.804 44.753 30.937 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.593 45.781 32.359 1.00 0.00 H new ATOM 998 N LYS A 63 32.713 49.490 26.698 1.00 0.00 N ATOM 999 CA LYS A 63 33.172 50.831 26.393 1.00 0.00 C ATOM 1000 C LYS A 63 34.067 51.410 27.490 1.00 0.00 C ATOM 1001 O LYS A 63 33.788 51.250 28.675 1.00 0.00 O ATOM 1002 CB LYS A 63 31.966 51.728 26.129 1.00 0.00 C ATOM 1003 CG LYS A 63 31.110 52.010 27.361 1.00 0.00 C ATOM 1004 CD LYS A 63 29.744 52.590 27.005 1.00 0.00 C ATOM 1005 CE LYS A 63 28.898 52.817 28.255 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.104 54.150 28.843 1.00 0.00 N ATOM 0 H LYS A 63 31.705 49.388 26.577 1.00 0.00 H new ATOM 0 HA LYS A 63 33.791 50.782 25.497 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.316 52.676 25.720 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.342 51.262 25.366 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.973 51.086 27.923 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.637 52.706 28.014 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.874 53.533 26.474 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.223 51.912 26.328 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.845 52.694 28.004 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.140 52.056 28.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.507 54.253 29.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.103 54.261 29.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.848 54.880 28.148 1.00 0.00 H new ATOM 1020 N GLU A 64 35.133 52.108 27.103 1.00 0.00 N ATOM 1021 CA GLU A 64 36.047 52.798 27.990 1.00 0.00 C ATOM 1022 C GLU A 64 36.740 51.921 29.035 1.00 0.00 C ATOM 1023 O GLU A 64 37.193 52.401 30.072 1.00 0.00 O ATOM 1024 CB GLU A 64 35.397 54.057 28.557 1.00 0.00 C ATOM 1025 CG GLU A 64 34.983 55.041 27.467 1.00 0.00 C ATOM 1026 CD GLU A 64 34.709 56.442 28.017 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.257 57.422 27.468 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.957 56.595 29.003 1.00 0.00 O ATOM 0 H GLU A 64 35.388 52.208 26.120 1.00 0.00 H new ATOM 0 HA GLU A 64 36.889 53.111 27.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.521 53.778 29.142 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.093 54.546 29.239 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.770 55.097 26.714 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.089 54.669 26.967 1.00 0.00 H new ATOM 1035 N SER A 65 36.858 50.624 28.763 1.00 0.00 N ATOM 1036 CA SER A 65 37.691 49.710 29.518 1.00 0.00 C ATOM 1037 C SER A 65 39.180 49.943 29.255 1.00 0.00 C ATOM 1038 O SER A 65 39.566 50.441 28.200 1.00 0.00 O ATOM 1039 CB SER A 65 37.343 48.251 29.236 1.00 0.00 C ATOM 1040 OG SER A 65 35.974 47.985 29.447 1.00 0.00 O ATOM 0 H SER A 65 36.363 50.175 27.992 1.00 0.00 H new ATOM 0 HA SER A 65 37.487 49.917 30.569 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.605 48.008 28.206 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.941 47.605 29.878 1.00 0.00 H new ATOM 0 HG SER A 65 35.494 48.046 28.595 1.00 0.00 H new ATOM 1046 N THR A 66 40.023 49.563 30.212 1.00 0.00 N ATOM 1047 CA THR A 66 41.464 49.697 30.146 1.00 0.00 C ATOM 1048 C THR A 66 42.123 48.332 29.940 1.00 0.00 C ATOM 1049 O THR A 66 41.723 47.358 30.574 1.00 0.00 O ATOM 1050 CB THR A 66 42.013 50.359 31.406 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.358 51.577 31.680 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.496 50.703 31.296 1.00 0.00 C ATOM 0 H THR A 66 39.703 49.139 31.083 1.00 0.00 H new ATOM 0 HA THR A 66 41.700 50.334 29.294 1.00 0.00 H new ATOM 0 HB THR A 66 41.848 49.625 32.194 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.732 51.974 32.494 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.831 51.171 32.222 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.069 49.792 31.123 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.649 51.392 30.465 1.00 0.00 H new ATOM 1060 N LEU A 67 43.161 48.245 29.112 1.00 0.00 N ATOM 1061 CA LEU A 67 44.020 47.085 28.986 1.00 0.00 C ATOM 1062 C LEU A 67 45.480 47.477 28.753 1.00 0.00 C ATOM 1063 O LEU A 67 45.776 48.635 28.467 1.00 0.00 O ATOM 1064 CB LEU A 67 43.456 46.106 27.960 1.00 0.00 C ATOM 1065 CG LEU A 67 43.199 46.596 26.538 1.00 0.00 C ATOM 1066 CD1 LEU A 67 44.473 46.865 25.741 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.414 45.523 25.789 1.00 0.00 C ATOM 0 H LEU A 67 43.431 49.009 28.492 1.00 0.00 H new ATOM 0 HA LEU A 67 44.030 46.550 29.936 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.142 45.261 27.899 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.514 45.724 28.352 1.00 0.00 H new ATOM 0 HG LEU A 67 42.657 47.537 26.628 1.00 0.00 H new ATOM 0 HD11 LEU A 67 44.211 47.210 24.741 1.00 0.00 H new ATOM 0 HD12 LEU A 67 45.063 47.630 26.246 1.00 0.00 H new ATOM 0 HD13 LEU A 67 45.056 45.947 25.667 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.222 45.858 24.770 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.992 44.599 25.765 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.466 45.344 26.297 1.00 0.00 H new ATOM 1079 N HIS A 68 46.403 46.528 28.885 1.00 0.00 N ATOM 1080 CA HIS A 68 47.830 46.766 28.814 1.00 0.00 C ATOM 1081 C HIS A 68 48.465 46.164 27.559 1.00 0.00 C ATOM 1082 O HIS A 68 48.049 45.110 27.083 1.00 0.00 O ATOM 1083 CB HIS A 68 48.505 46.260 30.085 1.00 0.00 C ATOM 1084 CG HIS A 68 48.218 47.117 31.287 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.998 47.188 31.958 1.00 0.00 N ATOM 1086 CD2 HIS A 68 49.097 47.992 31.872 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.164 48.092 32.926 1.00 0.00 C ATOM 1088 NE2 HIS A 68 48.412 48.589 32.912 1.00 0.00 N ATOM 0 H HIS A 68 46.166 45.549 29.048 1.00 0.00 H new ATOM 0 HA HIS A 68 47.984 47.842 28.739 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.173 45.241 30.285 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.582 46.218 29.925 1.00 0.00 H new ATOM 0 HD2 HIS A 68 50.120 48.177 31.578 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.397 48.385 33.627 1.00 0.00 H new ATOM 0 HE2 HIS A 68 48.788 49.285 33.556 1.00 0.00 H new ATOM 1096 N LEU A 69 49.500 46.837 27.062 1.00 0.00 N ATOM 1097 CA LEU A 69 50.314 46.460 25.925 1.00 0.00 C ATOM 1098 C LEU A 69 51.738 46.146 26.386 1.00 0.00 C ATOM 1099 O LEU A 69 52.376 46.973 27.034 1.00 0.00 O ATOM 1100 CB LEU A 69 50.247 47.607 24.921 1.00 0.00 C ATOM 1101 CG LEU A 69 51.241 47.574 23.762 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.052 46.370 22.844 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.063 48.848 22.939 1.00 0.00 C ATOM 0 H LEU A 69 49.807 47.718 27.475 1.00 0.00 H new ATOM 0 HA LEU A 69 49.948 45.553 25.443 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.241 47.633 24.503 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.391 48.541 25.464 1.00 0.00 H new ATOM 0 HG LEU A 69 52.241 47.499 24.190 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.789 46.405 22.041 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.183 45.452 23.417 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.049 46.392 22.417 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.765 48.844 22.105 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.044 48.894 22.555 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.253 49.717 23.569 1.00 0.00 H new ATOM 1115 N VAL A 70 52.236 44.962 26.042 1.00 0.00 N ATOM 1116 CA VAL A 70 53.556 44.474 26.387 1.00 0.00 C ATOM 1117 C VAL A 70 54.256 43.951 25.130 1.00 0.00 C ATOM 1118 O VAL A 70 53.658 43.256 24.312 1.00 0.00 O ATOM 1119 CB VAL A 70 53.470 43.424 27.490 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.807 42.748 27.783 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.966 44.027 28.797 1.00 0.00 C ATOM 0 H VAL A 70 51.702 44.291 25.490 1.00 0.00 H new ATOM 0 HA VAL A 70 54.158 45.292 26.783 1.00 0.00 H new ATOM 0 HB VAL A 70 52.770 42.679 27.111 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.677 42.012 28.577 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.168 42.250 26.883 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.532 43.498 28.099 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.917 43.251 29.561 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.648 44.813 29.122 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.973 44.449 28.644 1.00 0.00 H new ATOM 1131 N LEU A 71 55.539 44.265 24.978 1.00 0.00 N ATOM 1132 CA LEU A 71 56.371 43.856 23.863 1.00 0.00 C ATOM 1133 C LEU A 71 57.035 42.509 24.152 1.00 0.00 C ATOM 1134 O LEU A 71 57.632 42.336 25.211 1.00 0.00 O ATOM 1135 CB LEU A 71 57.387 44.968 23.616 1.00 0.00 C ATOM 1136 CG LEU A 71 58.303 44.763 22.414 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.553 44.903 21.092 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.417 45.805 22.416 1.00 0.00 C ATOM 0 H LEU A 71 56.043 44.834 25.658 1.00 0.00 H new ATOM 0 HA LEU A 71 55.776 43.709 22.962 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.848 45.906 23.485 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.005 45.077 24.507 1.00 0.00 H new ATOM 0 HG LEU A 71 58.705 43.753 22.499 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.244 44.749 20.263 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.758 44.159 21.044 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.120 45.901 21.023 1.00 0.00 H new ATOM 0 HD21 LEU A 71 60.064 45.648 21.553 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.982 46.803 22.366 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.003 45.710 23.330 1.00 0.00 H new ATOM 1150 N ARG A 72 57.012 41.572 23.208 1.00 0.00 N ATOM 1151 CA ARG A 72 57.851 40.390 23.216 1.00 0.00 C ATOM 1152 C ARG A 72 59.283 40.808 22.876 1.00 0.00 C ATOM 1153 O ARG A 72 59.563 41.184 21.740 1.00 0.00 O ATOM 1154 CB ARG A 72 57.331 39.335 22.244 1.00 0.00 C ATOM 1155 CG ARG A 72 55.972 38.759 22.633 1.00 0.00 C ATOM 1156 CD ARG A 72 55.617 37.578 21.734 1.00 0.00 C ATOM 1157 NE ARG A 72 54.327 36.991 22.097 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.140 37.200 21.512 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.007 37.951 20.410 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.026 36.654 22.017 1.00 0.00 N ATOM 0 H ARG A 72 56.392 41.620 22.399 1.00 0.00 H new ATOM 0 HA ARG A 72 57.832 39.935 24.206 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.258 39.775 21.249 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.055 38.523 22.181 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.991 38.438 23.675 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.206 39.530 22.550 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.588 37.907 20.695 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.396 36.819 21.806 1.00 0.00 H new ATOM 0 HE ARG A 72 54.332 36.347 22.888 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.827 38.387 19.988 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.086 38.087 19.994 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.077 36.073 22.854 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.127 36.819 21.565 1.00 0.00 H new ATOM 1174 N LEU A 73 60.170 40.796 23.867 1.00 0.00 N ATOM 1175 CA LEU A 73 61.407 41.550 23.849 1.00 0.00 C ATOM 1176 C LEU A 73 62.474 41.057 22.869 1.00 0.00 C ATOM 1177 O LEU A 73 63.471 41.752 22.683 1.00 0.00 O ATOM 1178 CB LEU A 73 61.958 41.664 25.268 1.00 0.00 C ATOM 1179 CG LEU A 73 61.070 42.372 26.288 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.808 42.450 27.621 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.693 43.790 25.865 1.00 0.00 C ATOM 0 H LEU A 73 60.041 40.250 24.719 1.00 0.00 H new ATOM 0 HA LEU A 73 61.145 42.535 23.462 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.165 40.659 25.635 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.912 42.190 25.223 1.00 0.00 H new ATOM 0 HG LEU A 73 60.150 41.792 26.368 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.180 42.955 28.355 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.037 41.443 27.970 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.735 43.008 27.491 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.061 44.242 26.630 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.598 44.386 25.743 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.151 43.756 24.920 1.00 0.00 H new ATOM 1193 N ARG A 74 62.291 39.910 22.222 1.00 0.00 N ATOM 1194 CA ARG A 74 63.167 39.383 21.195 1.00 0.00 C ATOM 1195 C ARG A 74 62.454 39.023 19.890 1.00 0.00 C ATOM 1196 O ARG A 74 63.080 38.434 19.011 1.00 0.00 O ATOM 1197 CB ARG A 74 63.973 38.210 21.747 1.00 0.00 C ATOM 1198 CG ARG A 74 64.782 38.570 22.990 1.00 0.00 C ATOM 1199 CD ARG A 74 65.667 37.405 23.423 1.00 0.00 C ATOM 1200 NE ARG A 74 66.412 37.732 24.638 1.00 0.00 N ATOM 1201 CZ ARG A 74 67.171 36.904 25.368 1.00 0.00 C ATOM 1202 NH1 ARG A 74 67.361 35.621 25.028 1.00 0.00 N ATOM 1203 NH2 ARG A 74 67.771 37.351 26.480 1.00 0.00 N ATOM 0 H ARG A 74 61.494 39.302 22.411 1.00 0.00 H new ATOM 0 HA ARG A 74 63.849 40.188 20.922 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.294 37.392 21.987 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.649 37.846 20.974 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.400 39.444 22.785 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.107 38.840 23.802 1.00 0.00 H new ATOM 0 HD2 ARG A 74 65.052 36.522 23.597 1.00 0.00 H new ATOM 0 HD3 ARG A 74 66.363 37.156 22.622 1.00 0.00 H new ATOM 0 HE ARG A 74 66.347 38.696 24.965 1.00 0.00 H new ATOM 0 HH11 ARG A 74 66.920 35.245 24.188 1.00 0.00 H new ATOM 0 HH12 ARG A 74 67.946 35.021 25.609 1.00 0.00 H new ATOM 0 HH21 ARG A 74 67.650 38.321 26.770 1.00 0.00 H new ATOM 0 HH22 ARG A 74 68.349 36.721 27.036 1.00 0.00 H new ATOM 1217 N GLY A 75 61.185 39.377 19.716 1.00 0.00 N ATOM 1218 CA GLY A 75 60.354 38.953 18.607 1.00 0.00 C ATOM 1219 C GLY A 75 60.818 39.370 17.210 1.00 0.00 C ATOM 1220 O GLY A 75 60.564 38.643 16.252 1.00 0.00 O ATOM 0 H GLY A 75 60.695 39.988 20.369 1.00 0.00 H new ATOM 0 HA2 GLY A 75 60.280 37.866 18.632 1.00 0.00 H new ATOM 0 HA3 GLY A 75 59.349 39.345 18.764 1.00 0.00 H new ATOM 1224 N GLY A 76 61.527 40.486 17.069 1.00 0.00 N ATOM 1225 CA GLY A 76 62.112 40.942 15.824 1.00 0.00 C ATOM 1226 C GLY A 76 63.105 42.094 15.978 1.00 0.00 C ATOM 1227 O GLY A 76 63.795 42.137 17.019 1.00 0.00 O ATOM 1228 OXT GLY A 76 63.170 42.940 15.060 1.00 0.00 O ATOM 0 H GLY A 76 61.713 41.116 17.849 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.618 40.103 15.346 1.00 0.00 H new ATOM 0 HA3 GLY A 76 61.312 41.255 15.154 1.00 0.00 H new TER 1232 GLY A 76