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 -71:sc= 1.87 USER MOD Set 1.2: A 57 SER OG : rot -29:sc= 0.93 USER MOD Set 2.1: A 7 THR OG1 : rot 133:sc= 1.24 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.797 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.06 (180deg=1.79) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.28) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.0663 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 25 ASN : amide:sc= -0.321 K(o=-0.32,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.49 (180deg=1.07) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 1.93 (180deg=1.53) USER MOD Single : A 31 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.48) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 1.13 (180deg=0.916) USER MOD Single : A 40 GLN : amide:sc= 1.4 K(o=1.4,f=-2.4!) USER MOD Single : A 41 GLN : amide:sc= 1.4 K(o=1.4,f=-2.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.438 USER MOD Single : A 60 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.91) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= 1.28 (180deg=0.702) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.091 52.166 19.568 1.00 0.00 N ATOM 2 CA MET A 1 33.357 52.551 20.963 1.00 0.00 C ATOM 3 C MET A 1 34.843 52.866 21.138 1.00 0.00 C ATOM 4 O MET A 1 35.670 52.258 20.462 1.00 0.00 O ATOM 5 CB MET A 1 32.896 51.495 21.965 1.00 0.00 C ATOM 6 CG MET A 1 33.623 50.158 21.865 1.00 0.00 C ATOM 7 SD MET A 1 33.070 48.929 23.074 1.00 0.00 S ATOM 8 CE MET A 1 34.185 47.562 22.663 1.00 0.00 C ATOM 0 H1 MET A 1 32.064 52.118 19.411 1.00 0.00 H new ATOM 0 H2 MET A 1 33.506 52.873 18.928 1.00 0.00 H new ATOM 0 H3 MET A 1 33.514 51.235 19.378 1.00 0.00 H new ATOM 0 HA MET A 1 32.771 53.445 21.175 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.027 51.889 22.973 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.829 51.324 21.826 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.484 49.754 20.862 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.692 50.326 21.996 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.979 46.715 23.318 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.029 47.265 21.626 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.218 47.882 22.797 1.00 0.00 H new ATOM 20 N GLN A 2 35.188 53.752 22.068 1.00 0.00 N ATOM 21 CA GLN A 2 36.559 53.994 22.469 1.00 0.00 C ATOM 22 C GLN A 2 36.985 53.079 23.619 1.00 0.00 C ATOM 23 O GLN A 2 36.283 52.980 24.623 1.00 0.00 O ATOM 24 CB GLN A 2 36.804 55.466 22.786 1.00 0.00 C ATOM 25 CG GLN A 2 36.694 56.345 21.543 1.00 0.00 C ATOM 26 CD GLN A 2 37.164 57.789 21.730 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.617 58.236 22.781 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.077 58.602 20.682 1.00 0.00 N ATOM 0 H GLN A 2 34.509 54.327 22.567 1.00 0.00 H new ATOM 0 HA GLN A 2 37.192 53.745 21.617 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.083 55.801 23.532 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.795 55.582 23.226 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.276 55.890 20.742 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.655 56.356 21.215 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.705 58.256 19.798 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.383 59.572 20.762 1.00 0.00 H new ATOM 37 N ILE A 3 38.145 52.440 23.498 1.00 0.00 N ATOM 38 CA ILE A 3 38.783 51.679 24.553 1.00 0.00 C ATOM 39 C ILE A 3 40.219 52.153 24.786 1.00 0.00 C ATOM 40 O ILE A 3 40.852 52.685 23.876 1.00 0.00 O ATOM 41 CB ILE A 3 38.720 50.172 24.324 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.522 49.708 23.111 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.270 49.701 24.269 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.743 48.200 23.058 1.00 0.00 C ATOM 0 H ILE A 3 38.681 52.442 22.630 1.00 0.00 H new ATOM 0 HA ILE A 3 38.211 51.870 25.461 1.00 0.00 H new ATOM 0 HB ILE A 3 39.203 49.700 25.180 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.005 50.022 22.204 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.491 50.208 23.115 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.243 48.624 24.105 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.775 49.937 25.211 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.754 50.205 23.452 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.320 47.948 22.168 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.288 47.881 23.946 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.779 47.692 23.021 1.00 0.00 H new ATOM 56 N PHE A 4 40.744 51.918 25.985 1.00 0.00 N ATOM 57 CA PHE A 4 42.081 52.329 26.367 1.00 0.00 C ATOM 58 C PHE A 4 43.082 51.173 26.334 1.00 0.00 C ATOM 59 O PHE A 4 42.752 50.050 26.710 1.00 0.00 O ATOM 60 CB PHE A 4 42.032 52.986 27.742 1.00 0.00 C ATOM 61 CG PHE A 4 41.126 54.186 27.873 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.317 55.311 27.061 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.102 54.187 28.828 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.477 56.424 27.193 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.269 55.304 28.969 1.00 0.00 C ATOM 66 CZ PHE A 4 39.451 56.421 28.145 1.00 0.00 C ATOM 0 H PHE A 4 40.241 51.429 26.726 1.00 0.00 H new ATOM 0 HA PHE A 4 42.437 53.052 25.634 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.717 52.237 28.469 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.043 53.288 28.014 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.113 55.320 26.332 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.954 53.323 29.459 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.621 57.286 26.559 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.486 55.304 29.713 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.801 57.278 28.244 1.00 0.00 H new ATOM 76 N VAL A 5 44.327 51.435 25.947 1.00 0.00 N ATOM 77 CA VAL A 5 45.428 50.497 26.034 1.00 0.00 C ATOM 78 C VAL A 5 46.654 51.189 26.632 1.00 0.00 C ATOM 79 O VAL A 5 47.156 52.164 26.075 1.00 0.00 O ATOM 80 CB VAL A 5 45.773 49.861 24.690 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.748 48.702 24.883 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.551 49.326 23.949 1.00 0.00 C ATOM 0 H VAL A 5 44.600 52.335 25.553 1.00 0.00 H new ATOM 0 HA VAL A 5 45.110 49.685 26.687 1.00 0.00 H new ATOM 0 HB VAL A 5 46.218 50.656 24.092 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.984 48.260 23.915 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.663 49.070 25.346 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.294 47.948 25.526 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.863 48.887 23.002 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.061 48.566 24.557 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.855 50.143 23.758 1.00 0.00 H new ATOM 92 N LYS A 6 47.155 50.689 27.757 1.00 0.00 N ATOM 93 CA LYS A 6 48.312 51.213 28.455 1.00 0.00 C ATOM 94 C LYS A 6 49.589 50.528 27.965 1.00 0.00 C ATOM 95 O LYS A 6 49.677 49.303 27.988 1.00 0.00 O ATOM 96 CB LYS A 6 48.069 51.079 29.956 1.00 0.00 C ATOM 97 CG LYS A 6 48.948 52.009 30.787 1.00 0.00 C ATOM 98 CD LYS A 6 48.616 51.880 32.272 1.00 0.00 C ATOM 99 CE LYS A 6 49.304 52.963 33.098 1.00 0.00 C ATOM 100 NZ LYS A 6 48.863 52.926 34.501 1.00 0.00 N ATOM 0 H LYS A 6 46.747 49.877 28.221 1.00 0.00 H new ATOM 0 HA LYS A 6 48.457 52.272 28.241 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.021 51.291 30.169 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.253 50.048 30.258 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.998 51.769 30.622 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.802 53.040 30.465 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.537 51.946 32.411 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.924 50.898 32.630 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.385 52.828 33.051 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.086 53.942 32.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.348 53.674 35.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.835 53.079 34.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.094 51.999 34.913 1.00 0.00 H new ATOM 114 N THR A 7 50.567 51.304 27.506 1.00 0.00 N ATOM 115 CA THR A 7 51.833 50.822 26.993 1.00 0.00 C ATOM 116 C THR A 7 52.746 50.287 28.097 1.00 0.00 C ATOM 117 O THR A 7 52.534 50.556 29.278 1.00 0.00 O ATOM 118 CB THR A 7 52.582 51.902 26.218 1.00 0.00 C ATOM 119 OG1 THR A 7 52.972 52.951 27.076 1.00 0.00 O ATOM 120 CG2 THR A 7 51.775 52.485 25.062 1.00 0.00 C ATOM 0 H THR A 7 50.491 52.321 27.483 1.00 0.00 H new ATOM 0 HA THR A 7 51.579 50.003 26.320 1.00 0.00 H new ATOM 0 HB THR A 7 53.458 51.409 25.795 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.912 53.174 26.913 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.366 53.247 24.554 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.522 51.692 24.358 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.859 52.933 25.447 1.00 0.00 H new ATOM 128 N LEU A 8 53.830 49.617 27.715 1.00 0.00 N ATOM 129 CA LEU A 8 54.903 49.235 28.609 1.00 0.00 C ATOM 130 C LEU A 8 55.604 50.432 29.255 1.00 0.00 C ATOM 131 O LEU A 8 56.151 50.306 30.349 1.00 0.00 O ATOM 132 CB LEU A 8 55.840 48.338 27.805 1.00 0.00 C ATOM 133 CG LEU A 8 57.024 47.732 28.552 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.604 46.909 29.766 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.789 46.813 27.603 1.00 0.00 C ATOM 0 H LEU A 8 53.984 49.321 26.751 1.00 0.00 H new ATOM 0 HA LEU A 8 54.510 48.690 29.467 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.251 47.523 27.384 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.228 48.917 26.967 1.00 0.00 H new ATOM 0 HG LEU A 8 57.637 48.562 28.904 1.00 0.00 H new ATOM 0 HD11 LEU A 8 57.490 46.504 30.255 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.061 47.544 30.466 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.961 46.090 29.445 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.638 46.374 28.127 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.128 46.019 27.254 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.147 47.388 26.749 1.00 0.00 H new ATOM 147 N THR A 9 55.517 51.611 28.646 1.00 0.00 N ATOM 148 CA THR A 9 55.948 52.886 29.181 1.00 0.00 C ATOM 149 C THR A 9 54.873 53.638 29.969 1.00 0.00 C ATOM 150 O THR A 9 55.115 54.757 30.415 1.00 0.00 O ATOM 151 CB THR A 9 56.519 53.790 28.091 1.00 0.00 C ATOM 152 OG1 THR A 9 55.562 54.044 27.085 1.00 0.00 O ATOM 153 CG2 THR A 9 57.722 53.179 27.379 1.00 0.00 C ATOM 0 H THR A 9 55.119 51.700 27.711 1.00 0.00 H new ATOM 0 HA THR A 9 56.733 52.631 29.893 1.00 0.00 H new ATOM 0 HB THR A 9 56.814 54.700 28.613 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.953 54.626 26.401 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.082 53.869 26.616 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.516 52.991 28.102 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.429 52.240 26.910 1.00 0.00 H new ATOM 161 N GLY A 10 53.697 53.056 30.187 1.00 0.00 N ATOM 162 CA GLY A 10 52.628 53.619 30.986 1.00 0.00 C ATOM 163 C GLY A 10 51.747 54.661 30.293 1.00 0.00 C ATOM 164 O GLY A 10 50.871 55.229 30.943 1.00 0.00 O ATOM 0 H GLY A 10 53.460 52.145 29.794 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.990 52.804 31.329 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.067 54.076 31.873 1.00 0.00 H new ATOM 168 N LYS A 11 51.952 54.928 29.007 1.00 0.00 N ATOM 169 CA LYS A 11 51.196 55.873 28.209 1.00 0.00 C ATOM 170 C LYS A 11 49.854 55.260 27.806 1.00 0.00 C ATOM 171 O LYS A 11 49.831 54.081 27.463 1.00 0.00 O ATOM 172 CB LYS A 11 52.047 56.239 26.996 1.00 0.00 C ATOM 173 CG LYS A 11 51.521 57.418 26.183 1.00 0.00 C ATOM 174 CD LYS A 11 52.399 57.709 24.969 1.00 0.00 C ATOM 175 CE LYS A 11 52.225 56.668 23.867 1.00 0.00 C ATOM 176 NZ LYS A 11 53.013 56.987 22.668 1.00 0.00 N ATOM 0 H LYS A 11 52.687 54.466 28.472 1.00 0.00 H new ATOM 0 HA LYS A 11 50.972 56.778 28.774 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.057 56.470 27.334 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.120 55.369 26.344 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.504 57.206 25.853 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.473 58.303 26.817 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.156 58.696 24.575 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.444 57.738 25.277 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.522 55.690 24.244 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.171 56.599 23.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.810 56.289 21.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.761 57.938 22.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.026 56.960 22.901 1.00 0.00 H new ATOM 190 N THR A 12 48.750 56.002 27.811 1.00 0.00 N ATOM 191 CA THR A 12 47.446 55.462 27.484 1.00 0.00 C ATOM 192 C THR A 12 47.005 55.822 26.064 1.00 0.00 C ATOM 193 O THR A 12 46.616 56.954 25.784 1.00 0.00 O ATOM 194 CB THR A 12 46.388 55.811 28.526 1.00 0.00 C ATOM 195 OG1 THR A 12 46.804 55.337 29.787 1.00 0.00 O ATOM 196 CG2 THR A 12 45.070 55.087 28.266 1.00 0.00 C ATOM 0 H THR A 12 48.741 56.995 28.043 1.00 0.00 H new ATOM 0 HA THR A 12 47.552 54.377 27.509 1.00 0.00 H new ATOM 0 HB THR A 12 46.258 56.892 28.483 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.128 55.561 30.460 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.345 55.364 29.031 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.687 55.369 27.285 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.235 54.010 28.296 1.00 0.00 H new ATOM 204 N ILE A 13 47.044 54.830 25.179 1.00 0.00 N ATOM 205 CA ILE A 13 46.525 54.852 23.827 1.00 0.00 C ATOM 206 C ILE A 13 44.999 54.741 23.876 1.00 0.00 C ATOM 207 O ILE A 13 44.468 54.042 24.736 1.00 0.00 O ATOM 208 CB ILE A 13 47.121 53.699 23.024 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.635 53.551 23.158 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.758 53.755 21.543 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.463 54.776 22.780 1.00 0.00 C ATOM 0 H ILE A 13 47.469 53.932 25.409 1.00 0.00 H new ATOM 0 HA ILE A 13 46.800 55.787 23.340 1.00 0.00 H new ATOM 0 HB ILE A 13 46.662 52.819 23.475 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.864 53.287 24.190 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.955 52.715 22.536 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.211 52.909 21.025 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.675 53.711 21.432 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.129 54.685 21.112 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.522 54.555 22.914 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.276 55.034 21.738 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.184 55.615 23.418 1.00 0.00 H new ATOM 223 N THR A 14 44.294 55.369 22.941 1.00 0.00 N ATOM 224 CA THR A 14 42.858 55.262 22.781 1.00 0.00 C ATOM 225 C THR A 14 42.529 54.740 21.381 1.00 0.00 C ATOM 226 O THR A 14 42.930 55.346 20.391 1.00 0.00 O ATOM 227 CB THR A 14 42.165 56.600 23.023 1.00 0.00 C ATOM 228 OG1 THR A 14 42.533 57.145 24.271 1.00 0.00 O ATOM 229 CG2 THR A 14 40.646 56.462 23.056 1.00 0.00 C ATOM 0 H THR A 14 44.726 55.986 22.253 1.00 0.00 H new ATOM 0 HA THR A 14 42.486 54.559 23.526 1.00 0.00 H new ATOM 0 HB THR A 14 42.475 57.241 22.198 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.966 56.765 24.974 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.196 57.439 23.231 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.296 56.066 22.103 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.360 55.782 23.858 1.00 0.00 H new ATOM 237 N LEU A 15 41.805 53.627 21.293 1.00 0.00 N ATOM 238 CA LEU A 15 41.459 52.948 20.061 1.00 0.00 C ATOM 239 C LEU A 15 39.959 53.014 19.770 1.00 0.00 C ATOM 240 O LEU A 15 39.154 52.879 20.690 1.00 0.00 O ATOM 241 CB LEU A 15 41.894 51.487 20.125 1.00 0.00 C ATOM 242 CG LEU A 15 43.367 51.220 20.419 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.580 49.709 20.453 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.305 51.806 19.366 1.00 0.00 C ATOM 0 H LEU A 15 41.430 53.159 22.118 1.00 0.00 H new ATOM 0 HA LEU A 15 41.984 53.460 19.254 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.299 50.989 20.890 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.647 51.017 19.173 1.00 0.00 H new ATOM 0 HG LEU A 15 43.601 51.697 21.371 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.628 49.494 20.662 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.957 49.271 21.233 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.307 49.281 19.488 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.338 51.582 19.633 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.079 51.369 18.393 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.169 52.886 19.319 1.00 0.00 H new ATOM 256 N GLU A 16 39.590 53.133 18.498 1.00 0.00 N ATOM 257 CA GLU A 16 38.224 53.007 18.029 1.00 0.00 C ATOM 258 C GLU A 16 37.966 51.591 17.512 1.00 0.00 C ATOM 259 O GLU A 16 38.619 51.125 16.580 1.00 0.00 O ATOM 260 CB GLU A 16 37.930 54.079 16.985 1.00 0.00 C ATOM 261 CG GLU A 16 36.562 53.977 16.318 1.00 0.00 C ATOM 262 CD GLU A 16 35.390 54.202 17.275 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.544 53.297 17.437 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.259 55.320 17.821 1.00 0.00 O ATOM 0 H GLU A 16 40.255 53.325 17.749 1.00 0.00 H new ATOM 0 HA GLU A 16 37.535 53.168 18.858 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.014 55.057 17.458 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.698 54.032 16.213 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.506 54.708 15.512 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.463 52.992 15.862 1.00 0.00 H new ATOM 271 N VAL A 17 37.025 50.898 18.145 1.00 0.00 N ATOM 272 CA VAL A 17 36.736 49.492 17.949 1.00 0.00 C ATOM 273 C VAL A 17 35.231 49.212 17.939 1.00 0.00 C ATOM 274 O VAL A 17 34.440 49.997 18.458 1.00 0.00 O ATOM 275 CB VAL A 17 37.409 48.631 19.013 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.931 48.731 18.966 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.939 48.976 20.424 1.00 0.00 C ATOM 0 H VAL A 17 36.416 51.328 18.842 1.00 0.00 H new ATOM 0 HA VAL A 17 37.141 49.228 16.972 1.00 0.00 H new ATOM 0 HB VAL A 17 37.112 47.609 18.779 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.361 48.100 19.743 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.287 48.400 17.991 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.233 49.765 19.130 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.448 48.335 21.144 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.170 50.019 20.640 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.863 48.821 20.497 1.00 0.00 H new ATOM 287 N GLU A 18 34.838 48.054 17.414 1.00 0.00 N ATOM 288 CA GLU A 18 33.554 47.446 17.697 1.00 0.00 C ATOM 289 C GLU A 18 33.752 46.187 18.542 1.00 0.00 C ATOM 290 O GLU A 18 34.798 45.552 18.418 1.00 0.00 O ATOM 291 CB GLU A 18 32.796 47.137 16.408 1.00 0.00 C ATOM 292 CG GLU A 18 32.475 48.352 15.544 1.00 0.00 C ATOM 293 CD GLU A 18 31.629 49.428 16.228 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.691 49.105 16.988 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.849 50.628 15.958 1.00 0.00 O ATOM 0 H GLU A 18 35.415 47.510 16.773 1.00 0.00 H new ATOM 0 HA GLU A 18 32.948 48.152 18.265 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.384 46.435 15.817 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.863 46.635 16.664 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.411 48.802 15.215 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.952 48.014 14.649 1.00 0.00 H new ATOM 302 N PRO A 19 32.800 45.758 19.365 1.00 0.00 N ATOM 303 CA PRO A 19 32.967 44.594 20.211 1.00 0.00 C ATOM 304 C PRO A 19 33.300 43.290 19.484 1.00 0.00 C ATOM 305 O PRO A 19 33.895 42.389 20.072 1.00 0.00 O ATOM 306 CB PRO A 19 31.661 44.456 20.989 1.00 0.00 C ATOM 307 CG PRO A 19 31.106 45.877 21.022 1.00 0.00 C ATOM 308 CD PRO A 19 31.551 46.426 19.670 1.00 0.00 C ATOM 0 HA PRO A 19 33.838 44.755 20.846 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.973 43.769 20.497 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.833 44.070 21.994 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.021 45.888 21.129 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.515 46.455 21.851 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.803 46.227 18.902 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.686 47.507 19.712 1.00 0.00 H new ATOM 316 N SER A 20 32.952 43.171 18.205 1.00 0.00 N ATOM 317 CA SER A 20 33.274 42.032 17.370 1.00 0.00 C ATOM 318 C SER A 20 34.702 42.022 16.822 1.00 0.00 C ATOM 319 O SER A 20 35.068 41.046 16.171 1.00 0.00 O ATOM 320 CB SER A 20 32.258 41.948 16.233 1.00 0.00 C ATOM 321 OG SER A 20 32.142 43.178 15.555 1.00 0.00 O ATOM 0 H SER A 20 32.422 43.890 17.712 1.00 0.00 H new ATOM 0 HA SER A 20 33.218 41.151 18.010 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.559 41.171 15.531 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.286 41.658 16.632 1.00 0.00 H new ATOM 0 HG SER A 20 31.486 43.092 14.832 1.00 0.00 H new ATOM 327 N ASP A 21 35.509 43.055 17.044 1.00 0.00 N ATOM 328 CA ASP A 21 36.874 43.106 16.557 1.00 0.00 C ATOM 329 C ASP A 21 37.741 42.017 17.191 1.00 0.00 C ATOM 330 O ASP A 21 37.683 41.796 18.400 1.00 0.00 O ATOM 331 CB ASP A 21 37.494 44.482 16.783 1.00 0.00 C ATOM 332 CG ASP A 21 36.939 45.602 15.900 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.270 45.327 14.882 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.256 46.785 16.154 1.00 0.00 O ATOM 0 H ASP A 21 35.228 43.882 17.570 1.00 0.00 H new ATOM 0 HA ASP A 21 36.836 42.921 15.483 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.351 44.760 17.827 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.569 44.410 16.617 1.00 0.00 H new ATOM 339 N THR A 22 38.554 41.341 16.386 1.00 0.00 N ATOM 340 CA THR A 22 39.478 40.334 16.869 1.00 0.00 C ATOM 341 C THR A 22 40.665 40.955 17.607 1.00 0.00 C ATOM 342 O THR A 22 41.073 42.079 17.318 1.00 0.00 O ATOM 343 CB THR A 22 39.976 39.385 15.782 1.00 0.00 C ATOM 344 OG1 THR A 22 40.855 40.026 14.886 1.00 0.00 O ATOM 345 CG2 THR A 22 38.854 38.744 14.970 1.00 0.00 C ATOM 0 H THR A 22 38.587 41.481 15.376 1.00 0.00 H new ATOM 0 HA THR A 22 38.898 39.736 17.572 1.00 0.00 H new ATOM 0 HB THR A 22 40.500 38.600 16.327 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.153 39.386 14.206 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.282 38.083 14.217 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.208 38.169 15.633 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.269 39.522 14.479 1.00 0.00 H new ATOM 353 N ILE A 23 41.275 40.218 18.531 1.00 0.00 N ATOM 354 CA ILE A 23 42.456 40.664 19.241 1.00 0.00 C ATOM 355 C ILE A 23 43.627 40.893 18.284 1.00 0.00 C ATOM 356 O ILE A 23 44.393 41.836 18.473 1.00 0.00 O ATOM 357 CB ILE A 23 42.768 39.675 20.362 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.691 39.636 21.442 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.139 39.898 20.993 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.427 40.929 22.209 1.00 0.00 C ATOM 0 H ILE A 23 40.956 39.289 18.806 1.00 0.00 H new ATOM 0 HA ILE A 23 42.270 41.635 19.701 1.00 0.00 H new ATOM 0 HB ILE A 23 42.783 38.702 19.871 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.757 39.322 20.977 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.963 38.865 22.163 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.300 39.164 21.782 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.912 39.789 20.232 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.186 40.901 21.416 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.640 40.762 22.944 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.338 41.243 22.718 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.114 41.707 21.513 1.00 0.00 H new ATOM 372 N GLU A 24 43.741 40.122 17.206 1.00 0.00 N ATOM 373 CA GLU A 24 44.679 40.383 16.133 1.00 0.00 C ATOM 374 C GLU A 24 44.413 41.719 15.438 1.00 0.00 C ATOM 375 O GLU A 24 45.335 42.508 15.241 1.00 0.00 O ATOM 376 CB GLU A 24 44.632 39.212 15.154 1.00 0.00 C ATOM 377 CG GLU A 24 45.600 39.369 13.985 1.00 0.00 C ATOM 378 CD GLU A 24 45.545 38.153 13.058 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.511 37.359 13.035 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.537 37.994 12.337 1.00 0.00 O ATOM 0 H GLU A 24 43.173 39.288 17.057 1.00 0.00 H new ATOM 0 HA GLU A 24 45.682 40.469 16.551 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.863 38.290 15.688 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.618 39.110 14.767 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.354 40.270 13.423 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.614 39.496 14.363 1.00 0.00 H new ATOM 387 N ASN A 25 43.160 42.023 15.109 1.00 0.00 N ATOM 388 CA ASN A 25 42.794 43.296 14.522 1.00 0.00 C ATOM 389 C ASN A 25 43.011 44.473 15.474 1.00 0.00 C ATOM 390 O ASN A 25 43.424 45.546 15.038 1.00 0.00 O ATOM 391 CB ASN A 25 41.354 43.210 14.022 1.00 0.00 C ATOM 392 CG ASN A 25 40.978 44.403 13.142 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.212 45.279 13.539 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.469 44.444 11.907 1.00 0.00 N ATOM 0 H ASN A 25 42.373 41.388 15.245 1.00 0.00 H new ATOM 0 HA ASN A 25 43.455 43.495 13.678 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.221 42.287 13.457 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.677 43.162 14.875 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.211 45.206 11.281 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.104 43.713 11.586 1.00 0.00 H new ATOM 401 N VAL A 26 42.839 44.283 16.779 1.00 0.00 N ATOM 402 CA VAL A 26 43.188 45.266 17.784 1.00 0.00 C ATOM 403 C VAL A 26 44.699 45.507 17.820 1.00 0.00 C ATOM 404 O VAL A 26 45.117 46.662 17.845 1.00 0.00 O ATOM 405 CB VAL A 26 42.622 44.869 19.144 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.118 45.765 20.276 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.100 44.955 19.134 1.00 0.00 C ATOM 0 H VAL A 26 42.446 43.426 17.168 1.00 0.00 H new ATOM 0 HA VAL A 26 42.731 46.218 17.515 1.00 0.00 H new ATOM 0 HB VAL A 26 42.963 43.849 19.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.682 45.435 21.219 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.205 45.705 20.338 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.822 46.796 20.081 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.713 44.668 20.112 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.795 45.977 18.908 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.702 44.281 18.375 1.00 0.00 H new ATOM 417 N LYS A 27 45.531 44.475 17.711 1.00 0.00 N ATOM 418 CA LYS A 27 46.963 44.634 17.558 1.00 0.00 C ATOM 419 C LYS A 27 47.330 45.375 16.270 1.00 0.00 C ATOM 420 O LYS A 27 48.245 46.194 16.280 1.00 0.00 O ATOM 421 CB LYS A 27 47.679 43.288 17.613 1.00 0.00 C ATOM 422 CG LYS A 27 47.658 42.647 18.997 1.00 0.00 C ATOM 423 CD LYS A 27 48.296 41.261 18.952 1.00 0.00 C ATOM 424 CE LYS A 27 48.306 40.665 20.357 1.00 0.00 C ATOM 425 NZ LYS A 27 48.870 39.306 20.346 1.00 0.00 N ATOM 0 H LYS A 27 45.223 43.503 17.727 1.00 0.00 H new ATOM 0 HA LYS A 27 47.298 45.243 18.397 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.214 42.608 16.899 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.714 43.422 17.298 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.195 43.278 19.705 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.631 42.570 19.353 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.740 40.614 18.274 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.313 41.328 18.566 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.891 41.301 21.022 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.291 40.639 20.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.488 38.765 21.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.616 38.832 19.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.906 39.359 20.426 1.00 0.00 H new ATOM 439 N ALA A 28 46.601 45.157 15.180 1.00 0.00 N ATOM 440 CA ALA A 28 46.779 45.911 13.955 1.00 0.00 C ATOM 441 C ALA A 28 46.412 47.389 14.107 1.00 0.00 C ATOM 442 O ALA A 28 47.127 48.250 13.598 1.00 0.00 O ATOM 443 CB ALA A 28 45.993 45.226 12.841 1.00 0.00 C ATOM 0 H ALA A 28 45.869 44.449 15.127 1.00 0.00 H new ATOM 0 HA ALA A 28 47.838 45.915 13.696 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.118 45.783 11.912 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.363 44.209 12.707 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.936 45.196 13.107 1.00 0.00 H new ATOM 449 N LYS A 29 45.374 47.717 14.870 1.00 0.00 N ATOM 450 CA LYS A 29 45.028 49.077 15.230 1.00 0.00 C ATOM 451 C LYS A 29 46.072 49.725 16.142 1.00 0.00 C ATOM 452 O LYS A 29 46.298 50.928 16.047 1.00 0.00 O ATOM 453 CB LYS A 29 43.629 49.120 15.840 1.00 0.00 C ATOM 454 CG LYS A 29 42.533 48.843 14.815 1.00 0.00 C ATOM 455 CD LYS A 29 41.146 48.801 15.446 1.00 0.00 C ATOM 456 CE LYS A 29 40.094 48.610 14.358 1.00 0.00 C ATOM 457 NZ LYS A 29 38.721 48.713 14.877 1.00 0.00 N ATOM 0 H LYS A 29 44.738 47.023 15.262 1.00 0.00 H new ATOM 0 HA LYS A 29 45.022 49.672 14.317 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.564 48.386 16.643 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.462 50.099 16.289 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.556 49.614 14.045 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.733 47.893 14.320 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.089 47.987 16.168 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.956 49.725 15.992 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.242 49.358 13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.231 47.634 13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.055 48.797 14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.494 47.862 15.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.642 49.553 15.485 1.00 0.00 H new ATOM 471 N ILE A 30 46.766 48.949 16.971 1.00 0.00 N ATOM 472 CA ILE A 30 47.909 49.393 17.744 1.00 0.00 C ATOM 473 C ILE A 30 49.134 49.620 16.857 1.00 0.00 C ATOM 474 O ILE A 30 49.857 50.587 17.092 1.00 0.00 O ATOM 475 CB ILE A 30 48.185 48.451 18.912 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.044 48.516 19.923 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.504 48.765 19.613 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.047 47.382 20.943 1.00 0.00 C ATOM 0 H ILE A 30 46.537 47.967 17.123 1.00 0.00 H new ATOM 0 HA ILE A 30 47.667 50.363 18.179 1.00 0.00 H new ATOM 0 HB ILE A 30 48.260 47.445 18.498 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.097 49.467 20.453 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.096 48.504 19.385 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.654 48.067 20.436 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.325 48.670 18.903 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.476 49.783 20.001 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.204 47.503 21.624 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.961 46.427 20.425 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.978 47.405 21.510 1.00 0.00 H new ATOM 490 N GLN A 31 49.359 48.839 15.804 1.00 0.00 N ATOM 491 CA GLN A 31 50.414 49.116 14.851 1.00 0.00 C ATOM 492 C GLN A 31 50.197 50.459 14.151 1.00 0.00 C ATOM 493 O GLN A 31 51.152 51.207 13.951 1.00 0.00 O ATOM 494 CB GLN A 31 50.548 47.985 13.835 1.00 0.00 C ATOM 495 CG GLN A 31 51.813 48.126 12.994 1.00 0.00 C ATOM 496 CD GLN A 31 51.938 47.057 11.907 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.957 46.492 11.428 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.145 46.769 11.430 1.00 0.00 N ATOM 0 H GLN A 31 48.815 48.002 15.594 1.00 0.00 H new ATOM 0 HA GLN A 31 51.349 49.181 15.407 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.563 47.028 14.356 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.676 47.978 13.181 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.823 49.111 12.528 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.684 48.073 13.648 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.969 47.229 11.817 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.247 46.088 10.677 1.00 0.00 H new ATOM 507 N ASP A 32 48.954 50.821 13.846 1.00 0.00 N ATOM 508 CA ASP A 32 48.616 52.137 13.340 1.00 0.00 C ATOM 509 C ASP A 32 48.931 53.266 14.324 1.00 0.00 C ATOM 510 O ASP A 32 49.448 54.301 13.910 1.00 0.00 O ATOM 511 CB ASP A 32 47.150 52.124 12.917 1.00 0.00 C ATOM 512 CG ASP A 32 46.635 53.518 12.554 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.981 54.023 11.464 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.922 54.131 13.378 1.00 0.00 O ATOM 0 H ASP A 32 48.151 50.200 13.946 1.00 0.00 H new ATOM 0 HA ASP A 32 49.246 52.352 12.477 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.028 51.460 12.061 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.545 51.715 13.726 1.00 0.00 H new ATOM 519 N LYS A 33 48.675 53.097 15.618 1.00 0.00 N ATOM 520 CA LYS A 33 48.878 54.129 16.613 1.00 0.00 C ATOM 521 C LYS A 33 50.301 54.230 17.169 1.00 0.00 C ATOM 522 O LYS A 33 50.727 55.340 17.480 1.00 0.00 O ATOM 523 CB LYS A 33 47.853 53.996 17.735 1.00 0.00 C ATOM 524 CG LYS A 33 46.418 54.207 17.258 1.00 0.00 C ATOM 525 CD LYS A 33 45.688 55.327 17.992 1.00 0.00 C ATOM 526 CE LYS A 33 44.302 55.542 17.390 1.00 0.00 C ATOM 527 NZ LYS A 33 43.616 56.680 18.022 1.00 0.00 N ATOM 0 H LYS A 33 48.316 52.224 16.004 1.00 0.00 H new ATOM 0 HA LYS A 33 48.728 55.071 16.085 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.939 53.006 18.184 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.081 54.721 18.516 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.428 54.430 16.191 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.862 53.278 17.385 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.598 55.079 19.050 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.266 56.249 17.929 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.392 55.718 16.318 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.704 54.639 17.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.823 56.984 17.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.254 56.393 18.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.285 57.468 18.138 1.00 0.00 H new ATOM 541 N GLU A 34 51.032 53.126 17.285 1.00 0.00 N ATOM 542 CA GLU A 34 52.325 53.035 17.935 1.00 0.00 C ATOM 543 C GLU A 34 53.452 52.469 17.070 1.00 0.00 C ATOM 544 O GLU A 34 54.619 52.561 17.447 1.00 0.00 O ATOM 545 CB GLU A 34 52.185 52.209 19.210 1.00 0.00 C ATOM 546 CG GLU A 34 51.499 52.949 20.355 1.00 0.00 C ATOM 547 CD GLU A 34 52.450 53.932 21.040 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.192 53.517 21.957 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.473 55.126 20.671 1.00 0.00 O ATOM 0 H GLU A 34 50.720 52.231 16.909 1.00 0.00 H new ATOM 0 HA GLU A 34 52.623 54.061 18.150 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.620 51.305 18.985 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.176 51.893 19.537 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.632 53.487 19.973 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.131 52.229 21.086 1.00 0.00 H new ATOM 556 N GLY A 35 53.156 51.876 15.917 1.00 0.00 N ATOM 557 CA GLY A 35 54.145 51.325 15.012 1.00 0.00 C ATOM 558 C GLY A 35 54.688 49.939 15.365 1.00 0.00 C ATOM 559 O GLY A 35 55.465 49.394 14.584 1.00 0.00 O ATOM 0 H GLY A 35 52.198 51.766 15.584 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.708 51.277 14.015 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.984 52.018 14.959 1.00 0.00 H new ATOM 563 N ILE A 36 54.261 49.322 16.463 1.00 0.00 N ATOM 564 CA ILE A 36 54.702 48.004 16.871 1.00 0.00 C ATOM 565 C ILE A 36 53.978 46.931 16.055 1.00 0.00 C ATOM 566 O ILE A 36 52.750 46.900 16.110 1.00 0.00 O ATOM 567 CB ILE A 36 54.491 47.801 18.368 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.053 48.914 19.248 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.056 46.454 18.811 1.00 0.00 C ATOM 570 CD1 ILE A 36 56.537 49.225 19.078 1.00 0.00 C ATOM 0 H ILE A 36 53.585 49.738 17.103 1.00 0.00 H new ATOM 0 HA ILE A 36 55.771 47.916 16.677 1.00 0.00 H new ATOM 0 HB ILE A 36 53.410 47.826 18.509 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.488 49.825 19.051 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.876 48.649 20.290 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.896 46.327 19.882 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.552 45.653 18.271 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.124 46.419 18.597 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.820 50.031 19.755 1.00 0.00 H new ATOM 0 HD12 ILE A 36 57.124 48.336 19.308 1.00 0.00 H new ATOM 0 HD13 ILE A 36 56.729 49.530 18.049 1.00 0.00 H new ATOM 582 N PRO A 37 54.643 46.037 15.329 1.00 0.00 N ATOM 583 CA PRO A 37 53.974 45.001 14.569 1.00 0.00 C ATOM 584 C PRO A 37 53.221 43.990 15.436 1.00 0.00 C ATOM 585 O PRO A 37 53.680 43.703 16.540 1.00 0.00 O ATOM 586 CB PRO A 37 55.051 44.318 13.731 1.00 0.00 C ATOM 587 CG PRO A 37 56.123 45.398 13.610 1.00 0.00 C ATOM 588 CD PRO A 37 56.051 46.059 14.983 1.00 0.00 C ATOM 0 HA PRO A 37 53.200 45.452 13.948 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.434 43.421 14.218 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.672 44.014 12.755 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.108 44.977 13.410 1.00 0.00 H new ATOM 0 HG3 PRO A 37 55.907 46.101 12.805 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.647 45.515 15.716 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.435 47.079 14.952 1.00 0.00 H new ATOM 596 N PRO A 38 52.105 43.421 14.987 1.00 0.00 N ATOM 597 CA PRO A 38 51.297 42.520 15.785 1.00 0.00 C ATOM 598 C PRO A 38 52.047 41.320 16.367 1.00 0.00 C ATOM 599 O PRO A 38 51.797 40.940 17.508 1.00 0.00 O ATOM 600 CB PRO A 38 50.159 42.055 14.879 1.00 0.00 C ATOM 601 CG PRO A 38 49.987 43.226 13.917 1.00 0.00 C ATOM 602 CD PRO A 38 51.426 43.702 13.739 1.00 0.00 C ATOM 0 HA PRO A 38 50.948 43.059 16.666 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.412 41.134 14.353 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.248 41.859 15.444 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.540 42.916 12.973 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.348 44.005 14.332 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.907 43.184 12.910 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.458 44.767 13.511 1.00 0.00 H new ATOM 610 N ASP A 39 53.006 40.761 15.635 1.00 0.00 N ATOM 611 CA ASP A 39 53.845 39.652 16.043 1.00 0.00 C ATOM 612 C ASP A 39 54.717 39.929 17.271 1.00 0.00 C ATOM 613 O ASP A 39 55.223 38.989 17.879 1.00 0.00 O ATOM 614 CB ASP A 39 54.716 39.221 14.867 1.00 0.00 C ATOM 615 CG ASP A 39 55.430 40.392 14.190 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.763 41.103 13.406 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.637 40.618 14.421 1.00 0.00 O ATOM 0 H ASP A 39 53.226 41.090 14.695 1.00 0.00 H new ATOM 0 HA ASP A 39 53.169 38.852 16.345 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.458 38.503 15.216 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.096 38.707 14.132 1.00 0.00 H new ATOM 622 N GLN A 40 54.870 41.186 17.676 1.00 0.00 N ATOM 623 CA GLN A 40 55.695 41.611 18.788 1.00 0.00 C ATOM 624 C GLN A 40 54.887 42.081 20.000 1.00 0.00 C ATOM 625 O GLN A 40 55.467 42.359 21.047 1.00 0.00 O ATOM 626 CB GLN A 40 56.685 42.643 18.254 1.00 0.00 C ATOM 627 CG GLN A 40 57.756 41.969 17.402 1.00 0.00 C ATOM 628 CD GLN A 40 58.475 42.914 16.437 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.370 43.668 16.811 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.143 42.893 15.149 1.00 0.00 N ATOM 0 H GLN A 40 54.400 41.965 17.215 1.00 0.00 H new ATOM 0 HA GLN A 40 56.248 40.762 19.189 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.156 43.389 17.660 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.153 43.170 19.085 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.493 41.510 18.061 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.296 41.164 16.829 1.00 0.00 H new ATOM 0 HE21 GLN A 40 57.402 42.272 14.823 1.00 0.00 H new ATOM 0 HE22 GLN A 40 58.629 43.498 14.487 1.00 0.00 H new ATOM 639 N GLN A 41 53.561 42.124 19.903 1.00 0.00 N ATOM 640 CA GLN A 41 52.657 42.593 20.932 1.00 0.00 C ATOM 641 C GLN A 41 52.019 41.458 21.736 1.00 0.00 C ATOM 642 O GLN A 41 51.502 40.505 21.157 1.00 0.00 O ATOM 643 CB GLN A 41 51.523 43.410 20.319 1.00 0.00 C ATOM 644 CG GLN A 41 51.909 44.673 19.556 1.00 0.00 C ATOM 645 CD GLN A 41 50.662 45.343 18.974 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.598 45.373 19.587 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.708 45.882 17.759 1.00 0.00 N ATOM 0 H GLN A 41 53.071 41.817 19.063 1.00 0.00 H new ATOM 0 HA GLN A 41 53.268 43.198 21.602 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.968 42.762 19.641 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.840 43.694 21.120 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.425 45.365 20.222 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.604 44.424 18.754 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.579 45.870 17.229 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.872 46.307 17.358 1.00 0.00 H new ATOM 656 N ARG A 42 51.935 41.606 23.055 1.00 0.00 N ATOM 657 CA ARG A 42 51.147 40.772 23.940 1.00 0.00 C ATOM 658 C ARG A 42 50.121 41.632 24.681 1.00 0.00 C ATOM 659 O ARG A 42 50.514 42.636 25.268 1.00 0.00 O ATOM 660 CB ARG A 42 52.057 40.051 24.930 1.00 0.00 C ATOM 661 CG ARG A 42 53.049 39.117 24.241 1.00 0.00 C ATOM 662 CD ARG A 42 54.035 38.494 25.224 1.00 0.00 C ATOM 663 NE ARG A 42 55.036 39.436 25.726 1.00 0.00 N ATOM 664 CZ ARG A 42 56.043 39.102 26.545 1.00 0.00 C ATOM 665 NH1 ARG A 42 56.175 37.863 27.039 1.00 0.00 N ATOM 666 NH2 ARG A 42 56.978 39.993 26.902 1.00 0.00 N ATOM 0 H ARG A 42 52.437 42.342 23.551 1.00 0.00 H new ATOM 0 HA ARG A 42 50.618 40.023 23.351 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.605 40.788 25.518 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.447 39.477 25.627 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.503 38.326 23.727 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.599 39.671 23.480 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.482 38.081 26.067 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.543 37.662 24.737 1.00 0.00 H new ATOM 0 HE ARG A 42 54.963 40.410 25.434 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.497 37.141 26.794 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.953 37.642 27.660 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.933 40.949 26.549 1.00 0.00 H new ATOM 0 HH22 ARG A 42 57.735 39.715 27.527 1.00 0.00 H new ATOM 680 N LEU A 43 48.843 41.265 24.638 1.00 0.00 N ATOM 681 CA LEU A 43 47.759 42.020 25.233 1.00 0.00 C ATOM 682 C LEU A 43 47.100 41.298 26.411 1.00 0.00 C ATOM 683 O LEU A 43 46.892 40.088 26.367 1.00 0.00 O ATOM 684 CB LEU A 43 46.717 42.384 24.178 1.00 0.00 C ATOM 685 CG LEU A 43 47.180 43.365 23.104 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.059 43.588 22.094 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.558 44.728 23.677 1.00 0.00 C ATOM 0 H LEU A 43 48.531 40.411 24.175 1.00 0.00 H new ATOM 0 HA LEU A 43 48.200 42.932 25.635 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.386 41.468 23.689 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.849 42.808 24.682 1.00 0.00 H new ATOM 0 HG LEU A 43 48.061 42.923 22.639 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.393 44.289 21.329 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.796 42.639 21.627 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.186 43.996 22.604 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.880 45.386 22.869 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.694 45.164 24.178 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.371 44.609 24.393 1.00 0.00 H new ATOM 699 N ILE A 44 46.753 42.067 27.439 1.00 0.00 N ATOM 700 CA ILE A 44 46.150 41.617 28.677 1.00 0.00 C ATOM 701 C ILE A 44 44.900 42.441 28.996 1.00 0.00 C ATOM 702 O ILE A 44 44.921 43.663 28.872 1.00 0.00 O ATOM 703 CB ILE A 44 47.166 41.667 29.815 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.408 40.831 29.522 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.548 41.236 31.142 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.529 40.965 30.549 1.00 0.00 C ATOM 0 H ILE A 44 46.896 43.077 27.423 1.00 0.00 H new ATOM 0 HA ILE A 44 45.838 40.579 28.560 1.00 0.00 H new ATOM 0 HB ILE A 44 47.476 42.709 29.897 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.116 39.783 29.459 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.796 41.113 28.543 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.302 41.285 31.927 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.721 41.901 31.391 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.179 40.214 31.057 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.368 40.334 30.256 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.855 42.004 30.598 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.165 40.652 31.528 1.00 0.00 H new ATOM 718 N PHE A 45 43.836 41.793 29.464 1.00 0.00 N ATOM 719 CA PHE A 45 42.714 42.418 30.135 1.00 0.00 C ATOM 720 C PHE A 45 42.381 41.646 31.414 1.00 0.00 C ATOM 721 O PHE A 45 42.341 40.418 31.385 1.00 0.00 O ATOM 722 CB PHE A 45 41.489 42.495 29.228 1.00 0.00 C ATOM 723 CG PHE A 45 40.290 43.164 29.856 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.370 44.504 30.254 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.096 42.458 30.044 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.277 45.130 30.866 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.992 43.087 30.631 1.00 0.00 C ATOM 728 CZ PHE A 45 38.085 44.421 31.049 1.00 0.00 C ATOM 0 H PHE A 45 43.734 40.782 29.380 1.00 0.00 H new ATOM 0 HA PHE A 45 42.998 43.439 30.391 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.757 43.035 28.320 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.210 41.485 28.927 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.281 45.059 30.088 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.026 41.425 29.735 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.354 46.156 31.195 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.068 42.544 30.762 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.236 44.902 31.513 1.00 0.00 H new ATOM 738 N ALA A 46 42.174 42.345 32.526 1.00 0.00 N ATOM 739 CA ALA A 46 41.910 41.770 33.830 1.00 0.00 C ATOM 740 C ALA A 46 42.818 40.588 34.173 1.00 0.00 C ATOM 741 O ALA A 46 42.357 39.525 34.581 1.00 0.00 O ATOM 742 CB ALA A 46 40.413 41.491 33.947 1.00 0.00 C ATOM 0 H ALA A 46 42.187 43.365 32.538 1.00 0.00 H new ATOM 0 HA ALA A 46 42.174 42.492 34.603 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.199 41.058 34.924 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.859 42.423 33.834 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.111 40.793 33.166 1.00 0.00 H new ATOM 748 N GLY A 47 44.118 40.734 33.932 1.00 0.00 N ATOM 749 CA GLY A 47 45.131 39.723 34.159 1.00 0.00 C ATOM 750 C GLY A 47 45.121 38.499 33.240 1.00 0.00 C ATOM 751 O GLY A 47 46.026 37.674 33.339 1.00 0.00 O ATOM 0 H GLY A 47 44.505 41.600 33.557 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.108 40.200 34.075 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.034 39.374 35.187 1.00 0.00 H new ATOM 755 N LYS A 48 44.161 38.364 32.329 1.00 0.00 N ATOM 756 CA LYS A 48 44.121 37.326 31.319 1.00 0.00 C ATOM 757 C LYS A 48 44.870 37.762 30.058 1.00 0.00 C ATOM 758 O LYS A 48 44.570 38.818 29.503 1.00 0.00 O ATOM 759 CB LYS A 48 42.681 36.956 30.977 1.00 0.00 C ATOM 760 CG LYS A 48 42.015 36.150 32.089 1.00 0.00 C ATOM 761 CD LYS A 48 40.570 35.813 31.733 1.00 0.00 C ATOM 762 CE LYS A 48 39.941 34.945 32.819 1.00 0.00 C ATOM 763 NZ LYS A 48 38.497 34.775 32.593 1.00 0.00 N ATOM 0 H LYS A 48 43.365 38.999 32.277 1.00 0.00 H new ATOM 0 HA LYS A 48 44.617 36.445 31.727 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.107 37.865 30.795 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.665 36.379 30.052 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.574 35.230 32.261 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.041 36.717 33.019 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.995 36.731 31.614 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.537 35.291 30.777 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.427 33.969 32.835 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.108 35.401 33.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.095 34.181 33.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.032 35.705 32.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.341 34.318 31.672 1.00 0.00 H new ATOM 777 N GLN A 49 45.796 36.940 29.573 1.00 0.00 N ATOM 778 CA GLN A 49 46.442 37.141 28.291 1.00 0.00 C ATOM 779 C GLN A 49 45.496 36.738 27.158 1.00 0.00 C ATOM 780 O GLN A 49 44.963 35.631 27.144 1.00 0.00 O ATOM 781 CB GLN A 49 47.766 36.382 28.251 1.00 0.00 C ATOM 782 CG GLN A 49 48.720 36.992 27.228 1.00 0.00 C ATOM 783 CD GLN A 49 49.965 36.130 27.007 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.146 35.520 25.956 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.879 36.042 27.970 1.00 0.00 N ATOM 0 H GLN A 49 46.118 36.109 30.068 1.00 0.00 H new ATOM 0 HA GLN A 49 46.673 38.197 28.153 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.228 36.399 29.238 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.582 35.337 28.003 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.198 37.122 26.280 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.023 37.984 27.563 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.744 36.542 28.849 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.715 35.474 27.830 1.00 0.00 H new ATOM 794 N LEU A 50 45.272 37.654 26.221 1.00 0.00 N ATOM 795 CA LEU A 50 44.176 37.585 25.274 1.00 0.00 C ATOM 796 C LEU A 50 44.575 36.868 23.983 1.00 0.00 C ATOM 797 O LEU A 50 45.555 37.238 23.340 1.00 0.00 O ATOM 798 CB LEU A 50 43.645 38.988 24.994 1.00 0.00 C ATOM 799 CG LEU A 50 43.311 39.824 26.227 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.782 41.185 25.786 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.288 39.161 27.144 1.00 0.00 C ATOM 0 H LEU A 50 45.861 38.478 26.100 1.00 0.00 H new ATOM 0 HA LEU A 50 43.379 36.991 25.720 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.385 39.526 24.402 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.748 38.902 24.381 1.00 0.00 H new ATOM 0 HG LEU A 50 44.233 39.928 26.799 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.543 41.784 26.664 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.541 41.696 25.194 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.884 41.049 25.184 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.095 39.807 28.001 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.360 38.998 26.596 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.677 38.204 27.491 1.00 0.00 H new ATOM 813 N GLU A 51 43.794 35.861 23.600 1.00 0.00 N ATOM 814 CA GLU A 51 44.017 35.079 22.400 1.00 0.00 C ATOM 815 C GLU A 51 43.692 35.866 21.129 1.00 0.00 C ATOM 816 O GLU A 51 42.582 36.368 20.962 1.00 0.00 O ATOM 817 CB GLU A 51 43.207 33.786 22.432 1.00 0.00 C ATOM 818 CG GLU A 51 43.728 32.794 23.469 1.00 0.00 C ATOM 819 CD GLU A 51 42.881 31.519 23.483 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.046 31.356 24.398 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.054 30.652 22.600 1.00 0.00 O ATOM 0 H GLU A 51 42.974 35.565 24.130 1.00 0.00 H new ATOM 0 HA GLU A 51 45.079 34.834 22.379 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.165 34.020 22.649 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.231 33.322 21.446 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.766 32.543 23.248 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.715 33.255 24.457 1.00 0.00 H new ATOM 828 N ASP A 52 44.644 35.896 20.202 1.00 0.00 N ATOM 829 CA ASP A 52 44.545 36.540 18.908 1.00 0.00 C ATOM 830 C ASP A 52 43.298 36.125 18.126 1.00 0.00 C ATOM 831 O ASP A 52 42.685 36.957 17.461 1.00 0.00 O ATOM 832 CB ASP A 52 45.808 36.241 18.105 1.00 0.00 C ATOM 833 CG ASP A 52 47.061 36.832 18.754 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.438 37.974 18.413 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.684 36.156 19.600 1.00 0.00 O ATOM 0 H ASP A 52 45.549 35.448 20.346 1.00 0.00 H new ATOM 0 HA ASP A 52 44.450 37.613 19.078 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.927 35.162 18.007 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.699 36.643 17.098 1.00 0.00 H new ATOM 840 N GLY A 53 42.899 34.862 18.243 1.00 0.00 N ATOM 841 CA GLY A 53 41.731 34.264 17.627 1.00 0.00 C ATOM 842 C GLY A 53 40.371 34.569 18.259 1.00 0.00 C ATOM 843 O GLY A 53 39.370 34.022 17.804 1.00 0.00 O ATOM 0 H GLY A 53 43.420 34.191 18.808 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.698 34.583 16.585 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.867 33.183 17.625 1.00 0.00 H new ATOM 847 N ARG A 54 40.308 35.385 19.307 1.00 0.00 N ATOM 848 CA ARG A 54 39.097 35.789 19.991 1.00 0.00 C ATOM 849 C ARG A 54 38.792 37.272 19.771 1.00 0.00 C ATOM 850 O ARG A 54 39.593 37.993 19.182 1.00 0.00 O ATOM 851 CB ARG A 54 39.199 35.426 21.470 1.00 0.00 C ATOM 852 CG ARG A 54 39.272 33.929 21.760 1.00 0.00 C ATOM 853 CD ARG A 54 38.008 33.201 21.312 1.00 0.00 C ATOM 854 NE ARG A 54 38.020 31.784 21.677 1.00 0.00 N ATOM 855 CZ ARG A 54 37.187 30.857 21.187 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.225 31.134 20.295 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.269 29.575 21.569 1.00 0.00 N ATOM 0 H ARG A 54 41.145 35.799 19.718 1.00 0.00 H new ATOM 0 HA ARG A 54 38.252 35.246 19.567 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.085 35.906 21.887 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.336 35.841 21.991 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.136 33.502 21.251 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.422 33.773 22.828 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.138 33.681 21.760 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.903 33.294 20.231 1.00 0.00 H new ATOM 0 HE ARG A 54 38.716 31.479 22.357 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.102 32.089 19.958 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.617 30.390 19.953 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.976 29.289 22.246 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.624 28.886 21.183 1.00 0.00 H new ATOM 871 N THR A 55 37.626 37.726 20.225 1.00 0.00 N ATOM 872 CA THR A 55 37.162 39.093 20.090 1.00 0.00 C ATOM 873 C THR A 55 37.107 39.837 21.426 1.00 0.00 C ATOM 874 O THR A 55 37.082 39.231 22.494 1.00 0.00 O ATOM 875 CB THR A 55 35.796 39.174 19.414 1.00 0.00 C ATOM 876 OG1 THR A 55 34.798 38.658 20.266 1.00 0.00 O ATOM 877 CG2 THR A 55 35.704 38.416 18.092 1.00 0.00 C ATOM 0 H THR A 55 36.960 37.127 20.713 1.00 0.00 H new ATOM 0 HA THR A 55 37.902 39.582 19.456 1.00 0.00 H new ATOM 0 HB THR A 55 35.649 40.233 19.204 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.893 37.685 20.329 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.701 38.525 17.679 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.432 38.821 17.389 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.913 37.360 18.263 1.00 0.00 H new ATOM 885 N LEU A 56 37.010 41.163 21.359 1.00 0.00 N ATOM 886 CA LEU A 56 36.751 42.005 22.508 1.00 0.00 C ATOM 887 C LEU A 56 35.496 41.589 23.277 1.00 0.00 C ATOM 888 O LEU A 56 35.506 41.557 24.506 1.00 0.00 O ATOM 889 CB LEU A 56 36.636 43.455 22.045 1.00 0.00 C ATOM 890 CG LEU A 56 37.912 44.074 21.480 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.597 45.483 20.987 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.018 44.172 22.526 1.00 0.00 C ATOM 0 H LEU A 56 37.112 41.684 20.488 1.00 0.00 H new ATOM 0 HA LEU A 56 37.586 41.893 23.200 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.858 43.513 21.284 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.303 44.061 22.888 1.00 0.00 H new ATOM 0 HG LEU A 56 38.262 43.432 20.672 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.501 45.937 20.581 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.834 45.435 20.210 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.230 46.086 21.818 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.905 44.618 22.077 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.680 44.793 23.356 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.260 43.175 22.894 1.00 0.00 H new ATOM 904 N SER A 57 34.432 41.221 22.570 1.00 0.00 N ATOM 905 CA SER A 57 33.185 40.771 23.156 1.00 0.00 C ATOM 906 C SER A 57 33.314 39.474 23.958 1.00 0.00 C ATOM 907 O SER A 57 32.681 39.363 25.006 1.00 0.00 O ATOM 908 CB SER A 57 32.100 40.630 22.092 1.00 0.00 C ATOM 909 OG SER A 57 32.358 39.617 21.146 1.00 0.00 O ATOM 0 H SER A 57 34.418 41.230 21.550 1.00 0.00 H new ATOM 0 HA SER A 57 32.897 41.546 23.867 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.149 40.423 22.582 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.990 41.581 21.571 1.00 0.00 H new ATOM 0 HG SER A 57 33.326 39.503 21.044 1.00 0.00 H new ATOM 915 N ASP A 58 34.158 38.532 23.546 1.00 0.00 N ATOM 916 CA ASP A 58 34.329 37.269 24.236 1.00 0.00 C ATOM 917 C ASP A 58 34.917 37.458 25.636 1.00 0.00 C ATOM 918 O ASP A 58 34.493 36.800 26.583 1.00 0.00 O ATOM 919 CB ASP A 58 35.218 36.329 23.426 1.00 0.00 C ATOM 920 CG ASP A 58 34.652 35.996 22.045 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.482 35.566 21.948 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.385 36.155 21.045 1.00 0.00 O ATOM 0 H ASP A 58 34.744 38.630 22.717 1.00 0.00 H new ATOM 0 HA ASP A 58 33.339 36.827 24.343 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.201 36.784 23.307 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.360 35.404 23.985 1.00 0.00 H new ATOM 927 N TYR A 59 35.828 38.414 25.783 1.00 0.00 N ATOM 928 CA TYR A 59 36.443 38.815 27.033 1.00 0.00 C ATOM 929 C TYR A 59 35.693 39.920 27.777 1.00 0.00 C ATOM 930 O TYR A 59 36.202 40.431 28.772 1.00 0.00 O ATOM 931 CB TYR A 59 37.909 39.152 26.781 1.00 0.00 C ATOM 932 CG TYR A 59 38.759 37.998 26.307 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.006 36.917 27.161 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.360 38.035 25.044 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.851 35.874 26.766 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.240 37.019 24.651 1.00 0.00 C ATOM 937 CZ TYR A 59 40.485 35.928 25.508 1.00 0.00 C ATOM 938 OH TYR A 59 41.336 34.934 25.126 1.00 0.00 O ATOM 0 H TYR A 59 36.172 38.955 24.990 1.00 0.00 H new ATOM 0 HA TYR A 59 36.384 37.969 27.718 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.960 39.949 26.040 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.339 39.545 27.702 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.540 36.888 28.135 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.144 38.850 24.369 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.017 35.032 27.422 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.731 37.072 23.691 1.00 0.00 H new ATOM 0 HH TYR A 59 40.925 34.410 24.407 1.00 0.00 H new ATOM 948 N ASN A 60 34.486 40.276 27.344 1.00 0.00 N ATOM 949 CA ASN A 60 33.635 41.283 27.943 1.00 0.00 C ATOM 950 C ASN A 60 34.277 42.667 28.067 1.00 0.00 C ATOM 951 O ASN A 60 34.125 43.356 29.073 1.00 0.00 O ATOM 952 CB ASN A 60 33.025 40.747 29.236 1.00 0.00 C ATOM 953 CG ASN A 60 31.835 41.568 29.736 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.182 42.317 29.012 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.501 41.437 31.016 1.00 0.00 N ATOM 0 H ASN A 60 34.060 39.844 26.524 1.00 0.00 H new ATOM 0 HA ASN A 60 32.816 41.475 27.250 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.705 39.717 29.078 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.793 40.727 30.009 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.707 41.956 31.392 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.038 40.817 31.622 1.00 0.00 H new ATOM 962 N ILE A 61 35.013 43.091 27.044 1.00 0.00 N ATOM 963 CA ILE A 61 35.608 44.410 26.974 1.00 0.00 C ATOM 964 C ILE A 61 34.566 45.404 26.455 1.00 0.00 C ATOM 965 O ILE A 61 33.957 45.202 25.406 1.00 0.00 O ATOM 966 CB ILE A 61 36.901 44.373 26.165 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.953 43.528 26.875 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.426 45.787 25.933 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.063 43.015 25.961 1.00 0.00 C ATOM 0 H ILE A 61 35.213 42.512 26.228 1.00 0.00 H new ATOM 0 HA ILE A 61 35.903 44.755 27.965 1.00 0.00 H new ATOM 0 HB ILE A 61 36.687 43.918 25.198 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.400 44.120 27.674 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.462 42.676 27.345 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.349 45.742 25.354 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.682 46.366 25.386 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.623 46.264 26.893 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.770 42.424 26.543 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.630 42.394 25.176 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.583 43.860 25.510 1.00 0.00 H new ATOM 981 N GLN A 62 34.369 46.487 27.199 1.00 0.00 N ATOM 982 CA GLN A 62 33.426 47.557 26.945 1.00 0.00 C ATOM 983 C GLN A 62 34.126 48.915 26.862 1.00 0.00 C ATOM 984 O GLN A 62 35.286 49.057 27.247 1.00 0.00 O ATOM 985 CB GLN A 62 32.369 47.555 28.045 1.00 0.00 C ATOM 986 CG GLN A 62 31.393 46.384 27.967 1.00 0.00 C ATOM 987 CD GLN A 62 30.360 46.400 29.095 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.620 46.824 30.218 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.129 45.955 28.857 1.00 0.00 N ATOM 0 H GLN A 62 34.904 46.646 28.053 1.00 0.00 H new ATOM 0 HA GLN A 62 32.950 47.388 25.979 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.868 47.535 29.014 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.806 48.487 27.996 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.877 46.410 27.007 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.951 45.448 28.004 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.886 45.597 27.933 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.429 45.972 29.598 1.00 0.00 H new ATOM 998 N LYS A 63 33.420 49.935 26.383 1.00 0.00 N ATOM 999 CA LYS A 63 33.835 51.322 26.316 1.00 0.00 C ATOM 1000 C LYS A 63 34.500 51.807 27.606 1.00 0.00 C ATOM 1001 O LYS A 63 34.003 51.527 28.695 1.00 0.00 O ATOM 1002 CB LYS A 63 32.597 52.151 25.994 1.00 0.00 C ATOM 1003 CG LYS A 63 32.844 53.655 25.900 1.00 0.00 C ATOM 1004 CD LYS A 63 31.629 54.346 25.290 1.00 0.00 C ATOM 1005 CE LYS A 63 31.755 55.867 25.304 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.405 56.434 26.616 1.00 0.00 N ATOM 0 H LYS A 63 32.481 49.799 26.008 1.00 0.00 H new ATOM 0 HA LYS A 63 34.594 51.432 25.541 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.180 51.805 25.048 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.844 51.967 26.760 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.044 54.062 26.891 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.727 53.850 25.291 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.498 54.005 24.263 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.734 54.053 25.840 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.776 56.149 25.047 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.105 56.292 24.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.011 57.388 26.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.699 55.827 27.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.257 56.488 27.209 1.00 0.00 H new ATOM 1020 N GLU A 64 35.605 52.539 27.494 1.00 0.00 N ATOM 1021 CA GLU A 64 36.382 53.069 28.596 1.00 0.00 C ATOM 1022 C GLU A 64 36.995 52.050 29.558 1.00 0.00 C ATOM 1023 O GLU A 64 37.506 52.429 30.610 1.00 0.00 O ATOM 1024 CB GLU A 64 35.621 54.184 29.308 1.00 0.00 C ATOM 1025 CG GLU A 64 35.334 55.414 28.449 1.00 0.00 C ATOM 1026 CD GLU A 64 34.360 56.364 29.147 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.369 56.794 28.519 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.553 56.689 30.338 1.00 0.00 O ATOM 0 H GLU A 64 35.997 52.787 26.586 1.00 0.00 H new ATOM 0 HA GLU A 64 37.271 53.491 28.127 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.675 53.784 29.672 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.193 54.494 30.182 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.266 55.937 28.236 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.918 55.102 27.491 1.00 0.00 H new ATOM 1035 N SER A 65 37.003 50.762 29.229 1.00 0.00 N ATOM 1036 CA SER A 65 37.866 49.783 29.858 1.00 0.00 C ATOM 1037 C SER A 65 39.306 49.897 29.351 1.00 0.00 C ATOM 1038 O SER A 65 39.540 50.386 28.248 1.00 0.00 O ATOM 1039 CB SER A 65 37.339 48.362 29.679 1.00 0.00 C ATOM 1040 OG SER A 65 36.146 48.176 30.408 1.00 0.00 O ATOM 0 H SER A 65 36.399 50.369 28.507 1.00 0.00 H new ATOM 0 HA SER A 65 37.866 50.002 30.926 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.159 48.166 28.622 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.090 47.646 30.012 1.00 0.00 H new ATOM 0 HG SER A 65 35.823 47.260 30.279 1.00 0.00 H new ATOM 1046 N THR A 66 40.266 49.448 30.154 1.00 0.00 N ATOM 1047 CA THR A 66 41.689 49.549 29.901 1.00 0.00 C ATOM 1048 C THR A 66 42.352 48.176 29.769 1.00 0.00 C ATOM 1049 O THR A 66 42.226 47.321 30.643 1.00 0.00 O ATOM 1050 CB THR A 66 42.388 50.372 30.979 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.871 51.684 31.000 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.884 50.545 30.736 1.00 0.00 C ATOM 0 H THR A 66 40.057 48.983 31.038 1.00 0.00 H new ATOM 0 HA THR A 66 41.798 50.063 28.946 1.00 0.00 H new ATOM 0 HB THR A 66 42.218 49.823 31.905 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.325 52.203 31.696 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.317 51.140 31.540 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.364 49.567 30.710 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.042 51.052 29.784 1.00 0.00 H new ATOM 1060 N LEU A 67 43.116 47.989 28.696 1.00 0.00 N ATOM 1061 CA LEU A 67 43.982 46.855 28.446 1.00 0.00 C ATOM 1062 C LEU A 67 45.435 47.223 28.753 1.00 0.00 C ATOM 1063 O LEU A 67 45.797 48.397 28.722 1.00 0.00 O ATOM 1064 CB LEU A 67 43.857 46.409 26.991 1.00 0.00 C ATOM 1065 CG LEU A 67 42.610 45.619 26.607 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.298 46.368 26.818 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.697 45.235 25.132 1.00 0.00 C ATOM 0 H LEU A 67 43.144 48.669 27.936 1.00 0.00 H new ATOM 0 HA LEU A 67 43.679 46.034 29.096 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.901 47.297 26.361 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.729 45.802 26.748 1.00 0.00 H new ATOM 0 HG LEU A 67 42.593 44.752 27.267 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.464 45.733 26.519 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.195 46.632 27.871 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.296 47.276 26.215 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.809 44.670 24.850 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.761 46.138 24.524 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.584 44.623 24.967 1.00 0.00 H new ATOM 1079 N HIS A 68 46.295 46.229 28.963 1.00 0.00 N ATOM 1080 CA HIS A 68 47.724 46.409 29.121 1.00 0.00 C ATOM 1081 C HIS A 68 48.492 45.734 27.984 1.00 0.00 C ATOM 1082 O HIS A 68 48.128 44.647 27.540 1.00 0.00 O ATOM 1083 CB HIS A 68 48.167 45.916 30.496 1.00 0.00 C ATOM 1084 CG HIS A 68 47.446 46.587 31.633 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.341 46.075 32.311 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.727 47.833 32.131 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.939 47.031 33.153 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.755 48.095 33.077 1.00 0.00 N ATOM 0 H HIS A 68 46.003 45.254 29.029 1.00 0.00 H new ATOM 0 HA HIS A 68 47.956 47.472 29.063 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.005 44.840 30.557 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.238 46.084 30.606 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.543 48.479 31.842 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.079 46.959 33.803 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.671 48.951 33.625 1.00 0.00 H new ATOM 1096 N LEU A 69 49.562 46.374 27.522 1.00 0.00 N ATOM 1097 CA LEU A 69 50.424 45.929 26.445 1.00 0.00 C ATOM 1098 C LEU A 69 51.840 45.674 26.965 1.00 0.00 C ATOM 1099 O LEU A 69 52.407 46.519 27.655 1.00 0.00 O ATOM 1100 CB LEU A 69 50.377 46.983 25.343 1.00 0.00 C ATOM 1101 CG LEU A 69 51.406 46.861 24.222 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.252 45.595 23.385 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.268 48.054 23.281 1.00 0.00 C ATOM 0 H LEU A 69 49.863 47.266 27.915 1.00 0.00 H new ATOM 0 HA LEU A 69 50.081 44.980 26.033 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.384 46.960 24.895 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.495 47.963 25.806 1.00 0.00 H new ATOM 0 HG LEU A 69 52.381 46.825 24.708 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.017 45.577 22.609 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.364 44.720 24.025 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.265 45.582 22.922 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.001 47.971 22.479 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.264 48.068 22.856 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.440 48.977 23.836 1.00 0.00 H new ATOM 1115 N VAL A 70 52.434 44.542 26.595 1.00 0.00 N ATOM 1116 CA VAL A 70 53.819 44.208 26.855 1.00 0.00 C ATOM 1117 C VAL A 70 54.506 43.732 25.573 1.00 0.00 C ATOM 1118 O VAL A 70 54.010 42.851 24.874 1.00 0.00 O ATOM 1119 CB VAL A 70 53.951 43.170 27.966 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.412 42.913 28.327 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.252 43.587 29.257 1.00 0.00 C ATOM 0 H VAL A 70 51.939 43.809 26.087 1.00 0.00 H new ATOM 0 HA VAL A 70 54.320 45.113 27.199 1.00 0.00 H new ATOM 0 HB VAL A 70 53.480 42.274 27.561 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.465 42.169 29.121 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.944 42.546 27.450 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.871 43.841 28.668 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.381 42.808 30.009 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.686 44.518 29.621 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.189 43.732 29.065 1.00 0.00 H new ATOM 1131 N LEU A 71 55.673 44.296 25.277 1.00 0.00 N ATOM 1132 CA LEU A 71 56.498 43.954 24.136 1.00 0.00 C ATOM 1133 C LEU A 71 57.220 42.618 24.330 1.00 0.00 C ATOM 1134 O LEU A 71 57.659 42.313 25.436 1.00 0.00 O ATOM 1135 CB LEU A 71 57.480 45.101 23.918 1.00 0.00 C ATOM 1136 CG LEU A 71 58.201 45.087 22.573 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.275 45.505 21.435 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.386 46.048 22.604 1.00 0.00 C ATOM 0 H LEU A 71 56.081 45.033 25.852 1.00 0.00 H new ATOM 0 HA LEU A 71 55.873 43.822 23.253 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.941 46.044 24.014 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.225 45.077 24.713 1.00 0.00 H new ATOM 0 HG LEU A 71 58.540 44.066 22.399 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.823 45.483 20.493 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.432 44.816 21.380 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.907 46.515 21.617 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.894 46.031 21.640 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.030 47.058 22.809 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.082 45.743 23.386 1.00 0.00 H new ATOM 1150 N ARG A 72 57.369 41.826 23.272 1.00 0.00 N ATOM 1151 CA ARG A 72 58.156 40.608 23.271 1.00 0.00 C ATOM 1152 C ARG A 72 59.665 40.855 23.263 1.00 0.00 C ATOM 1153 O ARG A 72 60.141 41.887 22.794 1.00 0.00 O ATOM 1154 CB ARG A 72 57.749 39.719 22.099 1.00 0.00 C ATOM 1155 CG ARG A 72 56.401 39.039 22.315 1.00 0.00 C ATOM 1156 CD ARG A 72 56.061 38.062 21.193 1.00 0.00 C ATOM 1157 NE ARG A 72 54.859 37.291 21.514 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.653 37.358 20.933 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.405 38.082 19.834 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.626 36.681 21.466 1.00 0.00 N ATOM 0 H ARG A 72 56.933 42.023 22.371 1.00 0.00 H new ATOM 0 HA ARG A 72 57.940 40.099 24.210 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.707 40.320 21.190 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.514 38.958 21.943 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.413 38.507 23.266 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.621 39.797 22.383 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.908 38.610 20.263 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.899 37.384 21.030 1.00 0.00 H new ATOM 0 HE ARG A 72 54.951 36.618 22.275 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.154 38.619 19.397 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.467 38.097 19.434 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.766 36.121 22.307 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.705 36.726 21.031 1.00 0.00 H new ATOM 1174 N LEU A 73 60.427 39.877 23.744 1.00 0.00 N ATOM 1175 CA LEU A 73 61.874 39.840 23.690 1.00 0.00 C ATOM 1176 C LEU A 73 62.401 39.711 22.259 1.00 0.00 C ATOM 1177 O LEU A 73 61.772 39.056 21.431 1.00 0.00 O ATOM 1178 CB LEU A 73 62.381 38.686 24.551 1.00 0.00 C ATOM 1179 CG LEU A 73 62.084 38.832 26.041 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.477 37.556 26.781 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.844 39.995 26.671 1.00 0.00 C ATOM 0 H LEU A 73 60.030 39.056 24.201 1.00 0.00 H new ATOM 0 HA LEU A 73 62.249 40.787 24.078 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.934 37.758 24.193 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.459 38.594 24.415 1.00 0.00 H new ATOM 0 HG LEU A 73 61.014 39.022 26.129 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.261 37.670 27.843 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.908 36.715 26.384 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.542 37.370 26.645 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.599 40.058 27.731 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.916 39.835 26.555 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.560 40.925 26.178 1.00 0.00 H new ATOM 1193 N ARG A 74 63.567 40.291 21.994 1.00 0.00 N ATOM 1194 CA ARG A 74 64.288 40.301 20.737 1.00 0.00 C ATOM 1195 C ARG A 74 63.426 40.620 19.513 1.00 0.00 C ATOM 1196 O ARG A 74 63.134 39.745 18.703 1.00 0.00 O ATOM 1197 CB ARG A 74 65.082 39.010 20.564 1.00 0.00 C ATOM 1198 CG ARG A 74 66.173 38.791 21.609 1.00 0.00 C ATOM 1199 CD ARG A 74 66.926 37.519 21.233 1.00 0.00 C ATOM 1200 NE ARG A 74 67.987 37.170 22.177 1.00 0.00 N ATOM 1201 CZ ARG A 74 68.790 36.106 22.046 1.00 0.00 C ATOM 1202 NH1 ARG A 74 68.672 35.252 21.019 1.00 0.00 N ATOM 1203 NH2 ARG A 74 69.736 35.833 22.955 1.00 0.00 N ATOM 0 H ARG A 74 64.069 40.807 22.716 1.00 0.00 H new ATOM 0 HA ARG A 74 64.987 41.135 20.796 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.392 38.167 20.596 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.539 39.010 19.575 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.852 39.643 21.637 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.737 38.698 22.604 1.00 0.00 H new ATOM 0 HD2 ARG A 74 66.219 36.692 21.171 1.00 0.00 H new ATOM 0 HD3 ARG A 74 67.359 37.642 20.241 1.00 0.00 H new ATOM 0 HE ARG A 74 68.124 37.775 22.987 1.00 0.00 H new ATOM 0 HH11 ARG A 74 67.955 35.404 20.309 1.00 0.00 H new ATOM 0 HH12 ARG A 74 69.299 34.451 20.947 1.00 0.00 H new ATOM 0 HH21 ARG A 74 69.855 36.441 23.766 1.00 0.00 H new ATOM 0 HH22 ARG A 74 70.337 35.018 22.836 1.00 0.00 H new ATOM 1217 N GLY A 75 63.017 41.880 19.390 1.00 0.00 N ATOM 1218 CA GLY A 75 62.181 42.380 18.318 1.00 0.00 C ATOM 1219 C GLY A 75 62.775 42.278 16.912 1.00 0.00 C ATOM 1220 O GLY A 75 63.969 42.050 16.736 1.00 0.00 O ATOM 0 H GLY A 75 63.272 42.603 20.063 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.237 41.836 18.334 1.00 0.00 H new ATOM 0 HA3 GLY A 75 61.950 43.426 18.520 1.00 0.00 H new ATOM 1224 N GLY A 76 61.919 42.458 15.910 1.00 0.00 N ATOM 1225 CA GLY A 76 62.195 42.232 14.506 1.00 0.00 C ATOM 1226 C GLY A 76 62.117 40.754 14.116 1.00 0.00 C ATOM 1227 O GLY A 76 63.163 40.069 14.152 1.00 0.00 O ATOM 1228 OXT GLY A 76 61.002 40.313 13.763 1.00 0.00 O ATOM 0 H GLY A 76 60.966 42.783 16.071 1.00 0.00 H new ATOM 0 HA2 GLY A 76 61.485 42.800 13.905 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.188 42.613 14.270 1.00 0.00 H new TER 1232 GLY A 76