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 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -69:sc= 1.06 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.37 K(o=2.4,f=-5.2!) USER MOD Set 3.1: A 7 THR OG1 : rot 141:sc= 1.44 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.27 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0.92 K(o=0.92,f=-0.065) USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= 1.25 (180deg=0.847) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0.879 (180deg=0.0155!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.0183 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 0.946 (180deg=0.426) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 2.31 (180deg=1.92) USER MOD Single : A 31 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.13) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 1.1 K(o=1.1,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.775 K(o=0.77,f=-4.2!) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.494 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 77:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0631 X(o=-0.063,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.533 51.870 20.153 1.00 0.00 N ATOM 2 CA MET A 1 32.969 52.211 21.516 1.00 0.00 C ATOM 3 C MET A 1 34.461 52.551 21.534 1.00 0.00 C ATOM 4 O MET A 1 35.221 52.005 20.738 1.00 0.00 O ATOM 5 CB MET A 1 32.627 51.115 22.521 1.00 0.00 C ATOM 6 CG MET A 1 33.375 49.800 22.325 1.00 0.00 C ATOM 7 SD MET A 1 32.913 48.516 23.515 1.00 0.00 S ATOM 8 CE MET A 1 34.127 47.241 23.097 1.00 0.00 C ATOM 0 H1 MET A 1 31.629 51.358 20.196 1.00 0.00 H new ATOM 0 H2 MET A 1 32.412 52.742 19.599 1.00 0.00 H new ATOM 0 H3 MET A 1 33.250 51.269 19.699 1.00 0.00 H new ATOM 0 HA MET A 1 32.416 53.097 21.828 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.834 51.487 23.525 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.556 50.917 22.469 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.188 49.432 21.316 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.446 49.986 22.402 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.981 46.374 23.742 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.999 46.944 22.056 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.133 47.635 23.241 1.00 0.00 H new ATOM 20 N GLN A 2 34.885 53.407 22.459 1.00 0.00 N ATOM 21 CA GLN A 2 36.282 53.735 22.657 1.00 0.00 C ATOM 22 C GLN A 2 36.903 52.842 23.734 1.00 0.00 C ATOM 23 O GLN A 2 36.256 52.592 24.748 1.00 0.00 O ATOM 24 CB GLN A 2 36.393 55.216 23.009 1.00 0.00 C ATOM 25 CG GLN A 2 37.828 55.736 23.008 1.00 0.00 C ATOM 26 CD GLN A 2 37.857 57.261 23.135 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.830 57.820 24.229 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.885 57.988 22.022 1.00 0.00 N ATOM 0 H GLN A 2 34.256 53.895 23.097 1.00 0.00 H new ATOM 0 HA GLN A 2 36.841 53.550 21.740 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.804 55.795 22.298 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.956 55.381 23.994 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.382 55.288 23.833 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.328 55.434 22.087 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.907 57.527 21.112 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.884 59.006 22.078 1.00 0.00 H new ATOM 37 N ILE A 3 38.144 52.399 23.551 1.00 0.00 N ATOM 38 CA ILE A 3 38.932 51.706 24.550 1.00 0.00 C ATOM 39 C ILE A 3 40.375 52.213 24.589 1.00 0.00 C ATOM 40 O ILE A 3 40.836 52.897 23.678 1.00 0.00 O ATOM 41 CB ILE A 3 38.873 50.190 24.386 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.431 49.708 23.051 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.466 49.655 24.634 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.653 48.199 22.998 1.00 0.00 C ATOM 0 H ILE A 3 38.641 52.520 22.669 1.00 0.00 H new ATOM 0 HA ILE A 3 38.481 51.936 25.515 1.00 0.00 H new ATOM 0 HB ILE A 3 39.528 49.776 25.152 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.746 49.995 22.254 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.376 50.214 22.856 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.461 48.572 24.509 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.156 49.904 25.649 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.775 50.106 23.922 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.051 47.924 22.021 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.362 47.908 23.773 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.705 47.686 23.161 1.00 0.00 H new ATOM 56 N PHE A 4 41.114 51.844 25.632 1.00 0.00 N ATOM 57 CA PHE A 4 42.454 52.315 25.920 1.00 0.00 C ATOM 58 C PHE A 4 43.459 51.171 26.077 1.00 0.00 C ATOM 59 O PHE A 4 43.094 50.080 26.509 1.00 0.00 O ATOM 60 CB PHE A 4 42.416 53.170 27.182 1.00 0.00 C ATOM 61 CG PHE A 4 41.437 54.319 27.141 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.720 55.461 26.382 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.239 54.240 27.860 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.810 56.526 26.350 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.333 55.307 27.835 1.00 0.00 C ATOM 66 CZ PHE A 4 39.615 56.447 27.074 1.00 0.00 C ATOM 0 H PHE A 4 40.774 51.179 26.327 1.00 0.00 H new ATOM 0 HA PHE A 4 42.794 52.909 25.071 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.169 52.531 28.029 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.414 53.568 27.364 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.641 55.521 25.821 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.013 53.354 28.435 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.031 57.408 25.767 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.416 55.250 28.403 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.911 57.265 27.045 1.00 0.00 H new ATOM 76 N VAL A 5 44.733 51.423 25.795 1.00 0.00 N ATOM 77 CA VAL A 5 45.822 50.510 26.079 1.00 0.00 C ATOM 78 C VAL A 5 46.968 51.222 26.801 1.00 0.00 C ATOM 79 O VAL A 5 47.577 52.134 26.245 1.00 0.00 O ATOM 80 CB VAL A 5 46.339 49.809 24.826 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.385 48.755 25.171 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.221 49.105 24.062 1.00 0.00 C ATOM 0 H VAL A 5 45.039 52.290 25.352 1.00 0.00 H new ATOM 0 HA VAL A 5 45.416 49.742 26.737 1.00 0.00 H new ATOM 0 HB VAL A 5 46.775 50.593 24.207 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.733 48.274 24.257 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.227 49.229 25.674 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.944 48.006 25.829 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.634 48.620 23.178 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.757 48.356 24.704 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.472 49.836 23.758 1.00 0.00 H new ATOM 92 N LYS A 6 47.275 50.784 28.019 1.00 0.00 N ATOM 93 CA LYS A 6 48.387 51.215 28.842 1.00 0.00 C ATOM 94 C LYS A 6 49.671 50.503 28.412 1.00 0.00 C ATOM 95 O LYS A 6 49.710 49.275 28.375 1.00 0.00 O ATOM 96 CB LYS A 6 48.002 50.944 30.294 1.00 0.00 C ATOM 97 CG LYS A 6 49.099 51.063 31.347 1.00 0.00 C ATOM 98 CD LYS A 6 49.735 52.444 31.475 1.00 0.00 C ATOM 99 CE LYS A 6 50.601 52.558 32.727 1.00 0.00 C ATOM 100 NZ LYS A 6 51.682 51.560 32.765 1.00 0.00 N ATOM 0 H LYS A 6 46.712 50.071 28.483 1.00 0.00 H new ATOM 0 HA LYS A 6 48.591 52.279 28.726 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.201 51.632 30.564 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.589 49.937 30.350 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.683 50.782 32.314 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.882 50.341 31.115 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.343 52.647 30.593 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.953 53.203 31.504 1.00 0.00 H new ATOM 0 HE2 LYS A 6 51.033 53.557 32.774 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.973 52.440 33.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 52.415 51.867 33.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 51.297 50.643 33.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 52.099 51.464 31.817 1.00 0.00 H new ATOM 114 N THR A 7 50.722 51.261 28.113 1.00 0.00 N ATOM 115 CA THR A 7 52.047 50.733 27.855 1.00 0.00 C ATOM 116 C THR A 7 52.859 50.598 29.144 1.00 0.00 C ATOM 117 O THR A 7 52.617 51.299 30.124 1.00 0.00 O ATOM 118 CB THR A 7 52.837 51.576 26.857 1.00 0.00 C ATOM 119 OG1 THR A 7 53.255 52.782 27.457 1.00 0.00 O ATOM 120 CG2 THR A 7 52.068 51.912 25.583 1.00 0.00 C ATOM 0 H THR A 7 50.670 52.277 28.043 1.00 0.00 H new ATOM 0 HA THR A 7 51.887 49.747 27.418 1.00 0.00 H new ATOM 0 HB THR A 7 53.690 50.961 26.570 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.163 52.998 27.158 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.697 52.512 24.926 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.787 50.990 25.074 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.169 52.474 25.838 1.00 0.00 H new ATOM 128 N LEU A 8 53.906 49.777 29.119 1.00 0.00 N ATOM 129 CA LEU A 8 54.849 49.662 30.213 1.00 0.00 C ATOM 130 C LEU A 8 55.632 50.955 30.445 1.00 0.00 C ATOM 131 O LEU A 8 56.018 51.240 31.575 1.00 0.00 O ATOM 132 CB LEU A 8 55.748 48.462 29.926 1.00 0.00 C ATOM 133 CG LEU A 8 56.601 47.976 31.093 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.760 47.489 32.270 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.477 46.813 30.639 1.00 0.00 C ATOM 0 H LEU A 8 54.120 49.170 28.328 1.00 0.00 H new ATOM 0 HA LEU A 8 54.316 49.498 31.150 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.122 47.636 29.589 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.410 48.718 29.099 1.00 0.00 H new ATOM 0 HG LEU A 8 57.199 48.827 31.419 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.417 47.154 33.073 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.132 48.304 32.631 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.129 46.660 31.948 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.085 46.468 31.475 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.845 45.997 30.289 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.127 47.142 29.829 1.00 0.00 H new ATOM 147 N THR A 9 55.791 51.785 29.418 1.00 0.00 N ATOM 148 CA THR A 9 56.385 53.106 29.470 1.00 0.00 C ATOM 149 C THR A 9 55.483 54.196 30.053 1.00 0.00 C ATOM 150 O THR A 9 55.968 55.290 30.329 1.00 0.00 O ATOM 151 CB THR A 9 56.888 53.543 28.098 1.00 0.00 C ATOM 152 OG1 THR A 9 55.861 53.477 27.135 1.00 0.00 O ATOM 153 CG2 THR A 9 58.025 52.661 27.590 1.00 0.00 C ATOM 0 H THR A 9 55.490 51.534 28.476 1.00 0.00 H new ATOM 0 HA THR A 9 57.220 52.997 30.162 1.00 0.00 H new ATOM 0 HB THR A 9 57.240 54.566 28.229 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.209 53.764 26.265 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.348 53.013 26.610 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.862 52.709 28.287 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.678 51.631 27.510 1.00 0.00 H new ATOM 161 N GLY A 10 54.202 53.928 30.286 1.00 0.00 N ATOM 162 CA GLY A 10 53.255 54.851 30.879 1.00 0.00 C ATOM 163 C GLY A 10 52.450 55.699 29.892 1.00 0.00 C ATOM 164 O GLY A 10 51.710 56.581 30.321 1.00 0.00 O ATOM 0 H GLY A 10 53.785 53.026 30.056 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.558 54.282 31.494 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.797 55.520 31.547 1.00 0.00 H new ATOM 168 N LYS A 11 52.552 55.431 28.593 1.00 0.00 N ATOM 169 CA LYS A 11 51.701 56.002 27.568 1.00 0.00 C ATOM 170 C LYS A 11 50.353 55.278 27.542 1.00 0.00 C ATOM 171 O LYS A 11 50.288 54.096 27.873 1.00 0.00 O ATOM 172 CB LYS A 11 52.449 55.940 26.240 1.00 0.00 C ATOM 173 CG LYS A 11 51.828 56.781 25.128 1.00 0.00 C ATOM 174 CD LYS A 11 52.678 56.727 23.862 1.00 0.00 C ATOM 175 CE LYS A 11 52.128 57.677 22.803 1.00 0.00 C ATOM 176 NZ LYS A 11 52.911 57.615 21.558 1.00 0.00 N ATOM 0 H LYS A 11 53.252 54.790 28.219 1.00 0.00 H new ATOM 0 HA LYS A 11 51.474 57.048 27.776 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.475 56.271 26.399 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.496 54.902 25.911 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.823 56.419 24.911 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.730 57.814 25.460 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.708 56.994 24.098 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.694 55.709 23.472 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.089 57.425 22.592 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.137 58.697 23.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.320 57.926 20.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.740 58.237 21.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.226 56.637 21.394 1.00 0.00 H new ATOM 190 N THR A 12 49.289 55.955 27.122 1.00 0.00 N ATOM 191 CA THR A 12 47.968 55.381 26.968 1.00 0.00 C ATOM 192 C THR A 12 47.439 55.632 25.554 1.00 0.00 C ATOM 193 O THR A 12 47.282 56.775 25.131 1.00 0.00 O ATOM 194 CB THR A 12 46.984 55.897 28.015 1.00 0.00 C ATOM 195 OG1 THR A 12 47.547 55.876 29.308 1.00 0.00 O ATOM 196 CG2 THR A 12 45.735 55.025 28.078 1.00 0.00 C ATOM 0 H THR A 12 49.329 56.944 26.874 1.00 0.00 H new ATOM 0 HA THR A 12 48.062 54.307 27.126 1.00 0.00 H new ATOM 0 HB THR A 12 46.737 56.915 27.715 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.893 56.214 29.955 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.054 55.419 28.833 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.240 55.027 27.107 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.016 54.005 28.340 1.00 0.00 H new ATOM 204 N ILE A 13 47.156 54.561 24.819 1.00 0.00 N ATOM 205 CA ILE A 13 46.801 54.575 23.414 1.00 0.00 C ATOM 206 C ILE A 13 45.280 54.482 23.275 1.00 0.00 C ATOM 207 O ILE A 13 44.697 53.509 23.748 1.00 0.00 O ATOM 208 CB ILE A 13 47.497 53.422 22.696 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.012 53.416 22.872 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.158 53.436 21.208 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.636 52.043 22.639 1.00 0.00 C ATOM 0 H ILE A 13 47.170 53.619 25.210 1.00 0.00 H new ATOM 0 HA ILE A 13 47.131 55.506 22.954 1.00 0.00 H new ATOM 0 HB ILE A 13 47.120 52.512 23.162 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.455 54.132 22.180 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.256 53.753 23.879 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.663 52.607 20.712 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.080 53.334 21.079 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.488 54.377 20.768 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.715 52.105 22.779 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.219 51.328 23.348 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.421 51.713 21.623 1.00 0.00 H new ATOM 223 N THR A 14 44.633 55.448 22.628 1.00 0.00 N ATOM 224 CA THR A 14 43.199 55.478 22.425 1.00 0.00 C ATOM 225 C THR A 14 42.820 54.917 21.053 1.00 0.00 C ATOM 226 O THR A 14 43.441 55.289 20.060 1.00 0.00 O ATOM 227 CB THR A 14 42.654 56.899 22.546 1.00 0.00 C ATOM 228 OG1 THR A 14 43.131 57.529 23.713 1.00 0.00 O ATOM 229 CG2 THR A 14 41.131 56.942 22.638 1.00 0.00 C ATOM 0 H THR A 14 45.112 56.252 22.221 1.00 0.00 H new ATOM 0 HA THR A 14 42.757 54.855 23.202 1.00 0.00 H new ATOM 0 HB THR A 14 42.992 57.408 21.643 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.540 57.315 24.465 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.801 57.977 22.722 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.700 56.495 21.742 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.804 56.384 23.515 1.00 0.00 H new ATOM 237 N LEU A 15 41.812 54.052 20.984 1.00 0.00 N ATOM 238 CA LEU A 15 41.307 53.465 19.760 1.00 0.00 C ATOM 239 C LEU A 15 39.788 53.292 19.809 1.00 0.00 C ATOM 240 O LEU A 15 39.216 53.086 20.878 1.00 0.00 O ATOM 241 CB LEU A 15 41.957 52.108 19.512 1.00 0.00 C ATOM 242 CG LEU A 15 43.443 52.129 19.161 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.010 50.711 19.140 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.682 52.769 17.796 1.00 0.00 C ATOM 0 H LEU A 15 41.310 53.733 21.813 1.00 0.00 H new ATOM 0 HA LEU A 15 41.556 54.146 18.946 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.824 51.496 20.404 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.420 51.613 18.703 1.00 0.00 H new ATOM 0 HG LEU A 15 43.946 52.720 19.927 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.070 50.747 18.888 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.886 50.255 20.122 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.480 50.118 18.395 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.750 52.769 17.576 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.153 52.201 17.030 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.314 53.795 17.806 1.00 0.00 H new ATOM 256 N GLU A 16 39.154 53.332 18.641 1.00 0.00 N ATOM 257 CA GLU A 16 37.763 52.964 18.459 1.00 0.00 C ATOM 258 C GLU A 16 37.644 51.508 18.006 1.00 0.00 C ATOM 259 O GLU A 16 38.404 51.032 17.166 1.00 0.00 O ATOM 260 CB GLU A 16 37.071 53.882 17.455 1.00 0.00 C ATOM 261 CG GLU A 16 37.250 55.383 17.667 1.00 0.00 C ATOM 262 CD GLU A 16 36.728 55.915 19.002 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.721 55.391 19.525 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.270 56.934 19.481 1.00 0.00 O ATOM 0 H GLU A 16 39.608 53.629 17.777 1.00 0.00 H new ATOM 0 HA GLU A 16 37.265 53.077 19.422 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.435 53.633 16.458 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.004 53.660 17.470 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.311 55.622 17.588 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.743 55.912 16.860 1.00 0.00 H new ATOM 271 N VAL A 17 36.677 50.786 18.566 1.00 0.00 N ATOM 272 CA VAL A 17 36.369 49.403 18.266 1.00 0.00 C ATOM 273 C VAL A 17 34.859 49.160 18.312 1.00 0.00 C ATOM 274 O VAL A 17 34.112 49.924 18.920 1.00 0.00 O ATOM 275 CB VAL A 17 37.058 48.442 19.232 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.580 48.504 19.152 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.631 48.660 20.681 1.00 0.00 C ATOM 0 H VAL A 17 36.059 51.176 19.277 1.00 0.00 H new ATOM 0 HA VAL A 17 36.742 49.210 17.260 1.00 0.00 H new ATOM 0 HB VAL A 17 36.733 47.452 18.910 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.011 47.798 19.862 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.902 48.246 18.143 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.916 49.512 19.393 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.151 47.950 21.324 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.881 49.676 20.985 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.555 48.509 20.770 1.00 0.00 H new ATOM 287 N GLU A 18 34.406 48.044 17.747 1.00 0.00 N ATOM 288 CA GLU A 18 33.158 47.414 18.129 1.00 0.00 C ATOM 289 C GLU A 18 33.458 46.151 18.940 1.00 0.00 C ATOM 290 O GLU A 18 34.550 45.601 18.814 1.00 0.00 O ATOM 291 CB GLU A 18 32.323 47.101 16.892 1.00 0.00 C ATOM 292 CG GLU A 18 31.992 48.299 16.007 1.00 0.00 C ATOM 293 CD GLU A 18 31.294 49.439 16.752 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.351 49.181 17.530 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.670 50.613 16.550 1.00 0.00 O ATOM 0 H GLU A 18 34.904 47.552 17.005 1.00 0.00 H new ATOM 0 HA GLU A 18 32.576 48.094 18.751 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.856 46.363 16.292 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.390 46.638 17.212 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.913 48.677 15.563 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.355 47.969 15.187 1.00 0.00 H new ATOM 302 N PRO A 19 32.535 45.615 19.734 1.00 0.00 N ATOM 303 CA PRO A 19 32.756 44.365 20.433 1.00 0.00 C ATOM 304 C PRO A 19 33.013 43.167 19.518 1.00 0.00 C ATOM 305 O PRO A 19 33.511 42.139 19.972 1.00 0.00 O ATOM 306 CB PRO A 19 31.526 44.152 21.312 1.00 0.00 C ATOM 307 CG PRO A 19 30.933 45.548 21.474 1.00 0.00 C ATOM 308 CD PRO A 19 31.283 46.214 20.147 1.00 0.00 C ATOM 0 HA PRO A 19 33.673 44.435 21.019 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.816 43.470 20.844 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.796 43.720 22.276 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.856 45.514 21.639 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.369 46.078 22.321 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.503 46.045 19.405 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.383 47.293 20.264 1.00 0.00 H new ATOM 316 N SER A 20 32.700 43.298 18.232 1.00 0.00 N ATOM 317 CA SER A 20 33.010 42.363 17.170 1.00 0.00 C ATOM 318 C SER A 20 34.458 42.378 16.676 1.00 0.00 C ATOM 319 O SER A 20 34.825 41.468 15.935 1.00 0.00 O ATOM 320 CB SER A 20 32.053 42.600 16.006 1.00 0.00 C ATOM 321 OG SER A 20 31.981 43.960 15.639 1.00 0.00 O ATOM 0 H SER A 20 32.191 44.113 17.889 1.00 0.00 H new ATOM 0 HA SER A 20 32.881 41.371 17.602 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.376 42.011 15.148 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.059 42.247 16.279 1.00 0.00 H new ATOM 0 HG SER A 20 31.358 44.064 14.889 1.00 0.00 H new ATOM 327 N ASP A 21 35.296 43.343 17.043 1.00 0.00 N ATOM 328 CA ASP A 21 36.697 43.341 16.670 1.00 0.00 C ATOM 329 C ASP A 21 37.418 42.141 17.289 1.00 0.00 C ATOM 330 O ASP A 21 37.204 41.805 18.451 1.00 0.00 O ATOM 331 CB ASP A 21 37.384 44.641 17.076 1.00 0.00 C ATOM 332 CG ASP A 21 37.102 45.823 16.145 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.931 46.224 15.974 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.059 46.382 15.566 1.00 0.00 O ATOM 0 H ASP A 21 35.018 44.146 17.607 1.00 0.00 H new ATOM 0 HA ASP A 21 36.750 43.259 15.584 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.067 44.905 18.085 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.460 44.473 17.114 1.00 0.00 H new ATOM 339 N THR A 22 38.304 41.503 16.529 1.00 0.00 N ATOM 340 CA THR A 22 39.217 40.503 17.045 1.00 0.00 C ATOM 341 C THR A 22 40.453 41.147 17.675 1.00 0.00 C ATOM 342 O THR A 22 40.831 42.260 17.316 1.00 0.00 O ATOM 343 CB THR A 22 39.651 39.466 16.014 1.00 0.00 C ATOM 344 OG1 THR A 22 40.335 40.049 14.927 1.00 0.00 O ATOM 345 CG2 THR A 22 38.488 38.644 15.466 1.00 0.00 C ATOM 0 H THR A 22 38.405 41.672 15.528 1.00 0.00 H new ATOM 0 HA THR A 22 38.648 39.972 17.808 1.00 0.00 H new ATOM 0 HB THR A 22 40.323 38.802 16.557 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.709 40.585 14.396 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.862 37.925 14.738 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.001 38.113 16.284 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.769 39.307 14.985 1.00 0.00 H new ATOM 353 N ILE A 23 41.148 40.420 18.545 1.00 0.00 N ATOM 354 CA ILE A 23 42.418 40.853 19.093 1.00 0.00 C ATOM 355 C ILE A 23 43.468 41.075 18.003 1.00 0.00 C ATOM 356 O ILE A 23 44.265 42.004 18.117 1.00 0.00 O ATOM 357 CB ILE A 23 42.880 39.874 20.168 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.906 39.778 21.340 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.288 40.164 20.677 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.638 41.069 22.109 1.00 0.00 C ATOM 0 H ILE A 23 40.840 39.510 18.888 1.00 0.00 H new ATOM 0 HA ILE A 23 42.280 41.826 19.565 1.00 0.00 H new ATOM 0 HB ILE A 23 42.902 38.905 19.668 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.955 39.401 20.964 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.288 39.036 22.041 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.557 39.433 21.439 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.994 40.102 19.849 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.320 41.165 21.107 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.932 40.872 22.916 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.572 41.444 22.528 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.219 41.815 21.433 1.00 0.00 H new ATOM 372 N GLU A 24 43.424 40.334 16.900 1.00 0.00 N ATOM 373 CA GLU A 24 44.219 40.610 15.722 1.00 0.00 C ATOM 374 C GLU A 24 43.942 41.996 15.134 1.00 0.00 C ATOM 375 O GLU A 24 44.888 42.704 14.797 1.00 0.00 O ATOM 376 CB GLU A 24 43.961 39.510 14.696 1.00 0.00 C ATOM 377 CG GLU A 24 44.716 39.668 13.380 1.00 0.00 C ATOM 378 CD GLU A 24 44.453 38.519 12.405 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.437 37.802 12.541 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.255 38.332 11.465 1.00 0.00 O ATOM 0 H GLU A 24 42.824 39.514 16.804 1.00 0.00 H new ATOM 0 HA GLU A 24 45.271 40.617 16.006 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.229 38.551 15.139 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.893 39.476 14.483 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.428 40.609 12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.785 39.728 13.584 1.00 0.00 H new ATOM 387 N ASN A 25 42.683 42.420 15.070 1.00 0.00 N ATOM 388 CA ASN A 25 42.329 43.744 14.601 1.00 0.00 C ATOM 389 C ASN A 25 42.785 44.835 15.572 1.00 0.00 C ATOM 390 O ASN A 25 43.307 45.859 15.140 1.00 0.00 O ATOM 391 CB ASN A 25 40.834 43.865 14.322 1.00 0.00 C ATOM 392 CG ASN A 25 40.235 42.763 13.446 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.200 42.182 13.767 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.866 42.395 12.334 1.00 0.00 N ATOM 0 H ASN A 25 41.883 41.850 15.344 1.00 0.00 H new ATOM 0 HA ASN A 25 42.860 43.892 13.660 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.304 43.876 15.275 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.648 44.826 13.843 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.490 41.640 11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.726 42.868 12.055 1.00 0.00 H new ATOM 401 N VAL A 26 42.675 44.614 16.880 1.00 0.00 N ATOM 402 CA VAL A 26 43.179 45.532 17.881 1.00 0.00 C ATOM 403 C VAL A 26 44.698 45.684 17.785 1.00 0.00 C ATOM 404 O VAL A 26 45.198 46.805 17.728 1.00 0.00 O ATOM 405 CB VAL A 26 42.740 45.118 19.282 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.348 46.003 20.367 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.222 45.212 19.414 1.00 0.00 C ATOM 0 H VAL A 26 42.229 43.784 17.271 1.00 0.00 H new ATOM 0 HA VAL A 26 42.745 46.511 17.681 1.00 0.00 H new ATOM 0 HB VAL A 26 43.086 44.093 19.418 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.005 45.667 21.345 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.435 45.939 20.322 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.039 47.036 20.209 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.925 44.913 20.419 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.904 46.238 19.232 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.752 44.551 18.685 1.00 0.00 H new ATOM 417 N LYS A 27 45.441 44.589 17.650 1.00 0.00 N ATOM 418 CA LYS A 27 46.873 44.620 17.430 1.00 0.00 C ATOM 419 C LYS A 27 47.255 45.364 16.149 1.00 0.00 C ATOM 420 O LYS A 27 48.222 46.122 16.156 1.00 0.00 O ATOM 421 CB LYS A 27 47.426 43.198 17.445 1.00 0.00 C ATOM 422 CG LYS A 27 47.432 42.589 18.845 1.00 0.00 C ATOM 423 CD LYS A 27 47.733 41.093 18.849 1.00 0.00 C ATOM 424 CE LYS A 27 49.077 40.776 18.201 1.00 0.00 C ATOM 425 NZ LYS A 27 49.377 39.337 18.263 1.00 0.00 N ATOM 0 H LYS A 27 45.055 43.646 17.692 1.00 0.00 H new ATOM 0 HA LYS A 27 47.327 45.184 18.245 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.828 42.572 16.782 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.442 43.202 17.049 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.174 43.104 19.455 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.462 42.759 19.312 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.730 40.726 19.875 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.942 40.563 18.319 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.067 41.103 17.161 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.866 41.336 18.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.387 39.184 18.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.147 38.975 19.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.809 38.833 17.552 1.00 0.00 H new ATOM 439 N ALA A 28 46.461 45.238 15.089 1.00 0.00 N ATOM 440 CA ALA A 28 46.644 45.945 13.838 1.00 0.00 C ATOM 441 C ALA A 28 46.326 47.440 13.922 1.00 0.00 C ATOM 442 O ALA A 28 46.890 48.227 13.165 1.00 0.00 O ATOM 443 CB ALA A 28 45.784 45.277 12.769 1.00 0.00 C ATOM 0 H ALA A 28 45.649 44.620 15.083 1.00 0.00 H new ATOM 0 HA ALA A 28 47.702 45.885 13.581 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.912 45.799 11.821 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.089 44.237 12.654 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.736 45.317 13.067 1.00 0.00 H new ATOM 449 N LYS A 29 45.450 47.857 14.832 1.00 0.00 N ATOM 450 CA LYS A 29 45.160 49.244 15.137 1.00 0.00 C ATOM 451 C LYS A 29 46.251 49.878 16.001 1.00 0.00 C ATOM 452 O LYS A 29 46.643 51.015 15.746 1.00 0.00 O ATOM 453 CB LYS A 29 43.786 49.343 15.795 1.00 0.00 C ATOM 454 CG LYS A 29 42.622 49.181 14.820 1.00 0.00 C ATOM 455 CD LYS A 29 41.281 49.111 15.544 1.00 0.00 C ATOM 456 CE LYS A 29 40.133 49.163 14.539 1.00 0.00 C ATOM 457 NZ LYS A 29 38.822 49.064 15.198 1.00 0.00 N ATOM 0 H LYS A 29 44.904 47.207 15.397 1.00 0.00 H new ATOM 0 HA LYS A 29 45.144 49.810 14.206 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.708 48.579 16.569 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.700 50.310 16.291 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.614 50.017 14.121 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.765 48.275 14.231 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.222 48.192 16.126 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.196 49.940 16.247 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.186 50.094 13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.241 48.349 13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.078 49.370 14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.650 48.078 15.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.810 49.674 16.040 1.00 0.00 H new ATOM 471 N ILE A 30 46.821 49.139 16.948 1.00 0.00 N ATOM 472 CA ILE A 30 48.005 49.545 17.678 1.00 0.00 C ATOM 473 C ILE A 30 49.185 49.720 16.720 1.00 0.00 C ATOM 474 O ILE A 30 49.871 50.739 16.756 1.00 0.00 O ATOM 475 CB ILE A 30 48.308 48.559 18.803 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.200 48.562 19.852 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.648 48.863 19.467 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.234 47.366 20.798 1.00 0.00 C ATOM 0 H ILE A 30 46.463 48.227 17.230 1.00 0.00 H new ATOM 0 HA ILE A 30 47.823 50.512 18.146 1.00 0.00 H new ATOM 0 HB ILE A 30 48.363 47.568 18.352 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.273 49.478 20.439 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.235 48.584 19.346 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.831 48.142 20.263 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.445 48.796 18.726 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.626 49.869 19.887 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.414 47.444 21.512 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.129 46.445 20.224 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.183 47.353 21.334 1.00 0.00 H new ATOM 490 N GLN A 31 49.387 48.769 15.811 1.00 0.00 N ATOM 491 CA GLN A 31 50.385 48.834 14.762 1.00 0.00 C ATOM 492 C GLN A 31 50.195 50.038 13.837 1.00 0.00 C ATOM 493 O GLN A 31 51.180 50.652 13.434 1.00 0.00 O ATOM 494 CB GLN A 31 50.339 47.515 13.996 1.00 0.00 C ATOM 495 CG GLN A 31 51.452 47.346 12.966 1.00 0.00 C ATOM 496 CD GLN A 31 51.346 46.029 12.195 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.360 45.297 12.242 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.392 45.652 11.463 1.00 0.00 N ATOM 0 H GLN A 31 48.841 47.908 15.789 1.00 0.00 H new ATOM 0 HA GLN A 31 51.369 48.977 15.209 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.392 46.692 14.709 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.377 47.436 13.490 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.420 48.178 12.263 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.418 47.391 13.470 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.219 46.246 11.412 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.366 44.769 10.953 1.00 0.00 H new ATOM 507 N ASP A 32 48.961 50.429 13.530 1.00 0.00 N ATOM 508 CA ASP A 32 48.662 51.570 12.690 1.00 0.00 C ATOM 509 C ASP A 32 49.195 52.887 13.259 1.00 0.00 C ATOM 510 O ASP A 32 49.885 53.594 12.528 1.00 0.00 O ATOM 511 CB ASP A 32 47.158 51.643 12.436 1.00 0.00 C ATOM 512 CG ASP A 32 46.755 52.788 11.506 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.170 53.779 11.996 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.986 52.692 10.282 1.00 0.00 O ATOM 0 H ASP A 32 48.128 49.947 13.869 1.00 0.00 H new ATOM 0 HA ASP A 32 49.181 51.425 11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.823 50.699 12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.641 51.759 13.389 1.00 0.00 H new ATOM 519 N LYS A 33 48.921 53.222 14.516 1.00 0.00 N ATOM 520 CA LYS A 33 49.331 54.488 15.089 1.00 0.00 C ATOM 521 C LYS A 33 50.655 54.487 15.857 1.00 0.00 C ATOM 522 O LYS A 33 51.357 55.493 15.788 1.00 0.00 O ATOM 523 CB LYS A 33 48.188 55.173 15.832 1.00 0.00 C ATOM 524 CG LYS A 33 47.615 54.426 17.033 1.00 0.00 C ATOM 525 CD LYS A 33 46.609 55.264 17.817 1.00 0.00 C ATOM 526 CE LYS A 33 45.415 55.703 16.975 1.00 0.00 C ATOM 527 NZ LYS A 33 44.447 56.493 17.751 1.00 0.00 N ATOM 0 H LYS A 33 48.409 52.620 15.161 1.00 0.00 H new ATOM 0 HA LYS A 33 49.574 55.107 14.226 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.537 56.148 16.171 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.379 55.352 15.124 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.132 53.511 16.691 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.429 54.129 17.694 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.252 54.688 18.671 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.111 56.146 18.214 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.767 56.293 16.129 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.918 54.823 16.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.561 56.582 17.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.257 56.017 18.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.838 57.440 17.933 1.00 0.00 H new ATOM 541 N GLU A 34 51.034 53.400 16.524 1.00 0.00 N ATOM 542 CA GLU A 34 52.266 53.288 17.279 1.00 0.00 C ATOM 543 C GLU A 34 53.365 52.458 16.612 1.00 0.00 C ATOM 544 O GLU A 34 54.507 52.513 17.063 1.00 0.00 O ATOM 545 CB GLU A 34 51.995 52.741 18.678 1.00 0.00 C ATOM 546 CG GLU A 34 51.248 53.689 19.612 1.00 0.00 C ATOM 547 CD GLU A 34 52.044 54.954 19.939 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.027 54.906 20.709 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.705 56.038 19.416 1.00 0.00 O ATOM 0 H GLU A 34 50.471 52.550 16.551 1.00 0.00 H new ATOM 0 HA GLU A 34 52.649 54.307 17.329 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.420 51.820 18.586 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.947 52.478 19.139 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.300 53.971 19.153 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.011 53.166 20.538 1.00 0.00 H new ATOM 556 N GLY A 35 53.087 51.700 15.555 1.00 0.00 N ATOM 557 CA GLY A 35 54.124 51.064 14.769 1.00 0.00 C ATOM 558 C GLY A 35 54.793 49.828 15.372 1.00 0.00 C ATOM 559 O GLY A 35 55.889 49.472 14.944 1.00 0.00 O ATOM 0 H GLY A 35 52.140 51.514 15.226 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.695 50.782 13.807 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.898 51.804 14.568 1.00 0.00 H new ATOM 563 N ILE A 36 54.175 49.159 16.341 1.00 0.00 N ATOM 564 CA ILE A 36 54.685 47.946 16.949 1.00 0.00 C ATOM 565 C ILE A 36 54.243 46.736 16.124 1.00 0.00 C ATOM 566 O ILE A 36 53.035 46.526 16.018 1.00 0.00 O ATOM 567 CB ILE A 36 54.244 47.833 18.405 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.587 49.075 19.223 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.888 46.604 19.039 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.939 49.123 20.604 1.00 0.00 C ATOM 0 H ILE A 36 53.282 49.458 16.732 1.00 0.00 H new ATOM 0 HA ILE A 36 55.774 47.979 16.954 1.00 0.00 H new ATOM 0 HB ILE A 36 53.158 47.738 18.408 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.669 49.129 19.341 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.283 49.959 18.662 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.573 46.524 20.079 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.579 45.711 18.496 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.973 46.698 18.995 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.237 50.039 21.114 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.854 49.104 20.498 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.262 48.261 21.188 1.00 0.00 H new ATOM 582 N PRO A 37 55.133 45.920 15.569 1.00 0.00 N ATOM 583 CA PRO A 37 54.766 44.727 14.832 1.00 0.00 C ATOM 584 C PRO A 37 53.951 43.741 15.671 1.00 0.00 C ATOM 585 O PRO A 37 54.198 43.607 16.867 1.00 0.00 O ATOM 586 CB PRO A 37 56.066 44.097 14.342 1.00 0.00 C ATOM 587 CG PRO A 37 57.028 45.281 14.288 1.00 0.00 C ATOM 588 CD PRO A 37 56.565 46.120 15.475 1.00 0.00 C ATOM 0 HA PRO A 37 54.117 44.993 13.998 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.419 43.322 15.022 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.944 43.632 13.364 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.067 44.968 14.390 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.951 45.827 13.348 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.064 45.807 16.392 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.803 47.173 15.325 1.00 0.00 H new ATOM 596 N PRO A 38 52.994 43.021 15.090 1.00 0.00 N ATOM 597 CA PRO A 38 51.993 42.297 15.846 1.00 0.00 C ATOM 598 C PRO A 38 52.564 41.132 16.655 1.00 0.00 C ATOM 599 O PRO A 38 52.102 40.876 17.766 1.00 0.00 O ATOM 600 CB PRO A 38 50.972 41.822 14.817 1.00 0.00 C ATOM 601 CG PRO A 38 51.776 41.724 13.523 1.00 0.00 C ATOM 602 CD PRO A 38 52.751 42.889 13.668 1.00 0.00 C ATOM 0 HA PRO A 38 51.546 42.945 16.600 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.543 40.859 15.095 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.144 42.525 14.721 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.292 40.768 13.435 1.00 0.00 H new ATOM 0 HG3 PRO A 38 51.144 41.828 12.641 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.678 42.693 13.129 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.330 43.806 13.256 1.00 0.00 H new ATOM 610 N ASP A 39 53.605 40.472 16.155 1.00 0.00 N ATOM 611 CA ASP A 39 54.262 39.379 16.843 1.00 0.00 C ATOM 612 C ASP A 39 55.085 39.833 18.052 1.00 0.00 C ATOM 613 O ASP A 39 55.405 39.008 18.904 1.00 0.00 O ATOM 614 CB ASP A 39 55.074 38.549 15.853 1.00 0.00 C ATOM 615 CG ASP A 39 56.265 39.287 15.240 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.079 40.366 14.637 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.397 38.760 15.284 1.00 0.00 O ATOM 0 H ASP A 39 54.017 40.689 15.248 1.00 0.00 H new ATOM 0 HA ASP A 39 53.486 38.740 17.264 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.437 37.655 16.359 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.416 38.216 15.050 1.00 0.00 H new ATOM 622 N GLN A 40 55.359 41.128 18.181 1.00 0.00 N ATOM 623 CA GLN A 40 55.990 41.724 19.340 1.00 0.00 C ATOM 624 C GLN A 40 54.992 42.174 20.409 1.00 0.00 C ATOM 625 O GLN A 40 55.421 42.529 21.504 1.00 0.00 O ATOM 626 CB GLN A 40 56.869 42.904 18.931 1.00 0.00 C ATOM 627 CG GLN A 40 57.900 42.578 17.855 1.00 0.00 C ATOM 628 CD GLN A 40 58.786 43.773 17.495 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.744 44.840 18.104 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.621 43.645 16.469 1.00 0.00 N ATOM 0 H GLN A 40 55.138 41.808 17.454 1.00 0.00 H new ATOM 0 HA GLN A 40 56.604 40.939 19.783 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.230 43.711 18.572 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.388 43.278 19.813 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.529 41.757 18.199 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.385 42.231 16.959 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.666 42.765 15.955 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.217 44.427 16.196 1.00 0.00 H new ATOM 639 N GLN A 41 53.690 42.179 20.134 1.00 0.00 N ATOM 640 CA GLN A 41 52.675 42.606 21.075 1.00 0.00 C ATOM 641 C GLN A 41 52.111 41.421 21.862 1.00 0.00 C ATOM 642 O GLN A 41 51.790 40.396 21.264 1.00 0.00 O ATOM 643 CB GLN A 41 51.536 43.320 20.352 1.00 0.00 C ATOM 644 CG GLN A 41 51.914 44.553 19.537 1.00 0.00 C ATOM 645 CD GLN A 41 50.693 45.171 18.851 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.596 45.211 19.405 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.796 45.667 17.622 1.00 0.00 N ATOM 0 H GLN A 41 53.311 41.881 19.235 1.00 0.00 H new ATOM 0 HA GLN A 41 53.150 43.295 21.773 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.054 42.605 19.685 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.793 43.615 21.093 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.379 45.292 20.189 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.655 44.280 18.786 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.693 45.647 17.138 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.978 46.067 17.163 1.00 0.00 H new ATOM 656 N ARG A 42 51.895 41.577 23.165 1.00 0.00 N ATOM 657 CA ARG A 42 50.996 40.759 23.953 1.00 0.00 C ATOM 658 C ARG A 42 50.093 41.631 24.827 1.00 0.00 C ATOM 659 O ARG A 42 50.578 42.570 25.454 1.00 0.00 O ATOM 660 CB ARG A 42 51.764 39.750 24.804 1.00 0.00 C ATOM 661 CG ARG A 42 52.457 38.626 24.041 1.00 0.00 C ATOM 662 CD ARG A 42 51.518 37.617 23.386 1.00 0.00 C ATOM 663 NE ARG A 42 50.882 36.736 24.364 1.00 0.00 N ATOM 664 CZ ARG A 42 49.773 36.005 24.190 1.00 0.00 C ATOM 665 NH1 ARG A 42 49.039 36.015 23.069 1.00 0.00 N ATOM 666 NH2 ARG A 42 49.361 35.185 25.167 1.00 0.00 N ATOM 0 H ARG A 42 52.359 42.301 23.713 1.00 0.00 H new ATOM 0 HA ARG A 42 50.366 40.199 23.262 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.516 40.288 25.381 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.072 39.305 25.519 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.088 39.066 23.269 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.116 38.094 24.727 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.749 38.150 22.826 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.077 37.016 22.668 1.00 0.00 H new ATOM 0 HE ARG A 42 51.331 36.671 25.277 1.00 0.00 H new ATOM 0 HH11 ARG A 42 49.316 36.604 22.284 1.00 0.00 H new ATOM 0 HH12 ARG A 42 48.204 35.433 23.001 1.00 0.00 H new ATOM 0 HH21 ARG A 42 49.891 35.121 26.036 1.00 0.00 H new ATOM 0 HH22 ARG A 42 48.517 34.625 25.041 1.00 0.00 H new ATOM 680 N LEU A 43 48.797 41.333 24.865 1.00 0.00 N ATOM 681 CA LEU A 43 47.780 42.114 25.541 1.00 0.00 C ATOM 682 C LEU A 43 47.151 41.382 26.728 1.00 0.00 C ATOM 683 O LEU A 43 46.891 40.183 26.649 1.00 0.00 O ATOM 684 CB LEU A 43 46.719 42.553 24.536 1.00 0.00 C ATOM 685 CG LEU A 43 47.171 43.588 23.509 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.138 43.694 22.390 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.323 44.971 24.136 1.00 0.00 C ATOM 0 H LEU A 43 48.417 40.506 24.405 1.00 0.00 H new ATOM 0 HA LEU A 43 48.268 42.993 25.962 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.362 41.671 24.004 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.870 42.960 25.085 1.00 0.00 H new ATOM 0 HG LEU A 43 48.135 43.259 23.122 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.467 44.434 21.660 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.030 42.726 21.901 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.178 43.998 22.808 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.646 45.682 23.375 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.366 45.291 24.548 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.066 44.930 24.933 1.00 0.00 H new ATOM 699 N ILE A 44 46.894 42.106 27.812 1.00 0.00 N ATOM 700 CA ILE A 44 46.406 41.607 29.083 1.00 0.00 C ATOM 701 C ILE A 44 45.181 42.390 29.558 1.00 0.00 C ATOM 702 O ILE A 44 45.208 43.618 29.592 1.00 0.00 O ATOM 703 CB ILE A 44 47.502 41.628 30.143 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.845 41.060 29.693 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.053 40.846 31.375 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.821 42.086 29.126 1.00 0.00 C ATOM 0 H ILE A 44 47.031 43.117 27.823 1.00 0.00 H new ATOM 0 HA ILE A 44 46.103 40.571 28.929 1.00 0.00 H new ATOM 0 HB ILE A 44 47.658 42.685 30.358 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.315 40.564 30.542 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.664 40.296 28.937 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.842 40.867 32.127 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.150 41.299 31.784 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.846 39.813 31.095 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.745 41.587 28.834 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.378 42.567 28.254 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.039 42.839 29.884 1.00 0.00 H new ATOM 718 N PHE A 45 44.130 41.697 29.989 1.00 0.00 N ATOM 719 CA PHE A 45 42.906 42.234 30.549 1.00 0.00 C ATOM 720 C PHE A 45 42.355 41.340 31.660 1.00 0.00 C ATOM 721 O PHE A 45 42.336 40.119 31.514 1.00 0.00 O ATOM 722 CB PHE A 45 41.876 42.402 29.434 1.00 0.00 C ATOM 723 CG PHE A 45 40.535 42.926 29.886 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.403 44.250 30.320 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.413 42.087 29.879 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.161 44.735 30.748 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.171 42.567 30.311 1.00 0.00 C ATOM 728 CZ PHE A 45 38.044 43.892 30.744 1.00 0.00 C ATOM 0 H PHE A 45 44.116 40.678 29.951 1.00 0.00 H new ATOM 0 HA PHE A 45 43.124 43.204 30.996 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.281 43.080 28.683 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.728 41.438 28.946 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.264 44.902 30.325 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.507 41.066 29.539 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.065 45.758 31.081 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.310 41.915 30.310 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.085 44.263 31.075 1.00 0.00 H new ATOM 738 N ALA A 46 41.887 41.919 32.763 1.00 0.00 N ATOM 739 CA ALA A 46 41.343 41.211 33.904 1.00 0.00 C ATOM 740 C ALA A 46 42.228 40.065 34.401 1.00 0.00 C ATOM 741 O ALA A 46 41.767 38.955 34.655 1.00 0.00 O ATOM 742 CB ALA A 46 39.891 40.837 33.618 1.00 0.00 C ATOM 0 H ALA A 46 41.879 42.932 32.885 1.00 0.00 H new ATOM 0 HA ALA A 46 41.340 41.880 34.765 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.477 40.304 34.474 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.311 41.742 33.439 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.847 40.198 32.736 1.00 0.00 H new ATOM 748 N GLY A 47 43.533 40.313 34.475 1.00 0.00 N ATOM 749 CA GLY A 47 44.558 39.386 34.911 1.00 0.00 C ATOM 750 C GLY A 47 44.992 38.321 33.903 1.00 0.00 C ATOM 751 O GLY A 47 45.945 37.594 34.177 1.00 0.00 O ATOM 0 H GLY A 47 43.919 41.221 34.216 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.438 39.962 35.198 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.201 38.880 35.808 1.00 0.00 H new ATOM 755 N LYS A 48 44.328 38.207 32.757 1.00 0.00 N ATOM 756 CA LYS A 48 44.512 37.158 31.775 1.00 0.00 C ATOM 757 C LYS A 48 44.885 37.714 30.400 1.00 0.00 C ATOM 758 O LYS A 48 44.620 38.875 30.096 1.00 0.00 O ATOM 759 CB LYS A 48 43.258 36.291 31.713 1.00 0.00 C ATOM 760 CG LYS A 48 42.828 35.637 33.024 1.00 0.00 C ATOM 761 CD LYS A 48 43.814 34.591 33.537 1.00 0.00 C ATOM 762 CE LYS A 48 43.398 34.135 34.932 1.00 0.00 C ATOM 763 NZ LYS A 48 44.388 33.210 35.506 1.00 0.00 N ATOM 0 H LYS A 48 43.613 38.880 32.480 1.00 0.00 H new ATOM 0 HA LYS A 48 45.353 36.539 32.087 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.434 36.905 31.349 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.420 35.506 30.975 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.704 36.410 33.782 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.854 35.168 32.884 1.00 0.00 H new ATOM 0 HD2 LYS A 48 43.841 33.739 32.858 1.00 0.00 H new ATOM 0 HD3 LYS A 48 44.820 35.008 33.565 1.00 0.00 H new ATOM 0 HE2 LYS A 48 43.286 35.002 35.583 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.425 33.646 34.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 44.079 32.916 36.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 44.475 32.373 34.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 45.310 33.687 35.574 1.00 0.00 H new ATOM 777 N GLN A 49 45.538 36.907 29.569 1.00 0.00 N ATOM 778 CA GLN A 49 46.052 37.316 28.277 1.00 0.00 C ATOM 779 C GLN A 49 45.017 37.146 27.164 1.00 0.00 C ATOM 780 O GLN A 49 44.081 36.357 27.280 1.00 0.00 O ATOM 781 CB GLN A 49 47.373 36.615 27.973 1.00 0.00 C ATOM 782 CG GLN A 49 48.424 36.975 29.019 1.00 0.00 C ATOM 783 CD GLN A 49 49.836 36.480 28.696 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.081 35.641 27.833 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.839 36.988 29.407 1.00 0.00 N ATOM 0 H GLN A 49 45.726 35.928 29.786 1.00 0.00 H new ATOM 0 HA GLN A 49 46.260 38.385 28.322 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.223 35.536 27.957 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.724 36.903 26.982 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.450 38.059 29.132 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.119 36.561 29.980 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.652 37.686 30.127 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.795 36.680 29.232 1.00 0.00 H new ATOM 794 N LEU A 50 45.178 37.909 26.086 1.00 0.00 N ATOM 795 CA LEU A 50 44.242 37.999 24.984 1.00 0.00 C ATOM 796 C LEU A 50 44.842 37.432 23.696 1.00 0.00 C ATOM 797 O LEU A 50 45.975 37.750 23.340 1.00 0.00 O ATOM 798 CB LEU A 50 43.813 39.455 24.830 1.00 0.00 C ATOM 799 CG LEU A 50 43.178 40.102 26.057 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.855 41.562 25.752 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.881 39.411 26.468 1.00 0.00 C ATOM 0 H LEU A 50 45.998 38.502 25.957 1.00 0.00 H new ATOM 0 HA LEU A 50 43.361 37.392 25.196 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.687 40.042 24.547 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.105 39.518 24.004 1.00 0.00 H new ATOM 0 HG LEU A 50 43.895 40.013 26.873 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.401 42.025 26.628 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.773 42.092 25.496 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.160 41.613 24.914 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.467 39.907 27.346 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.164 39.465 25.648 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.084 38.366 26.704 1.00 0.00 H new ATOM 813 N GLU A 51 44.082 36.610 22.977 1.00 0.00 N ATOM 814 CA GLU A 51 44.531 35.830 21.842 1.00 0.00 C ATOM 815 C GLU A 51 43.879 36.270 20.529 1.00 0.00 C ATOM 816 O GLU A 51 42.670 36.474 20.452 1.00 0.00 O ATOM 817 CB GLU A 51 44.276 34.345 22.086 1.00 0.00 C ATOM 818 CG GLU A 51 44.913 33.773 23.349 1.00 0.00 C ATOM 819 CD GLU A 51 46.428 33.967 23.442 1.00 0.00 C ATOM 820 OE1 GLU A 51 47.137 34.033 22.415 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.957 34.040 24.573 1.00 0.00 O ATOM 0 H GLU A 51 43.093 36.468 23.184 1.00 0.00 H new ATOM 0 HA GLU A 51 45.602 36.004 21.740 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.199 34.181 22.136 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.644 33.784 21.227 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.446 34.237 24.218 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.693 32.707 23.401 1.00 0.00 H new ATOM 828 N ASP A 52 44.690 36.385 19.481 1.00 0.00 N ATOM 829 CA ASP A 52 44.380 36.929 18.174 1.00 0.00 C ATOM 830 C ASP A 52 43.086 36.453 17.511 1.00 0.00 C ATOM 831 O ASP A 52 42.465 37.225 16.783 1.00 0.00 O ATOM 832 CB ASP A 52 45.550 36.599 17.253 1.00 0.00 C ATOM 833 CG ASP A 52 46.827 37.360 17.615 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.236 38.247 16.835 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.461 37.049 18.646 1.00 0.00 O ATOM 0 H ASP A 52 45.659 36.073 19.535 1.00 0.00 H new ATOM 0 HA ASP A 52 44.220 37.995 18.334 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.747 35.528 17.295 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.273 36.832 16.225 1.00 0.00 H new ATOM 840 N GLY A 53 42.666 35.212 17.737 1.00 0.00 N ATOM 841 CA GLY A 53 41.486 34.620 17.137 1.00 0.00 C ATOM 842 C GLY A 53 40.140 35.065 17.713 1.00 0.00 C ATOM 843 O GLY A 53 39.118 34.898 17.052 1.00 0.00 O ATOM 0 H GLY A 53 43.157 34.574 18.364 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.494 34.846 16.071 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.559 33.537 17.234 1.00 0.00 H new ATOM 847 N ARG A 54 40.112 35.613 18.924 1.00 0.00 N ATOM 848 CA ARG A 54 38.908 35.848 19.696 1.00 0.00 C ATOM 849 C ARG A 54 38.512 37.325 19.722 1.00 0.00 C ATOM 850 O ARG A 54 39.335 38.206 19.483 1.00 0.00 O ATOM 851 CB ARG A 54 39.108 35.170 21.048 1.00 0.00 C ATOM 852 CG ARG A 54 37.939 35.221 22.029 1.00 0.00 C ATOM 853 CD ARG A 54 38.206 34.217 23.147 1.00 0.00 C ATOM 854 NE ARG A 54 37.289 34.342 24.281 1.00 0.00 N ATOM 855 CZ ARG A 54 37.263 33.518 25.338 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.107 32.483 25.458 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.369 33.721 26.315 1.00 0.00 N ATOM 0 H ARG A 54 40.959 35.914 19.407 1.00 0.00 H new ATOM 0 HA ARG A 54 38.029 35.399 19.233 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.354 34.123 20.869 1.00 0.00 H new ATOM 0 HB3 ARG A 54 39.974 35.624 21.530 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.831 36.225 22.439 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.005 34.982 21.520 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.133 33.208 22.742 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.229 34.345 23.502 1.00 0.00 H new ATOM 0 HE ARG A 54 36.621 35.113 24.266 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.798 32.302 24.730 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.058 31.877 26.277 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.713 34.499 26.252 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.345 33.097 27.122 1.00 0.00 H new ATOM 871 N THR A 55 37.230 37.589 19.960 1.00 0.00 N ATOM 872 CA THR A 55 36.618 38.902 19.906 1.00 0.00 C ATOM 873 C THR A 55 36.451 39.568 21.274 1.00 0.00 C ATOM 874 O THR A 55 36.402 38.901 22.304 1.00 0.00 O ATOM 875 CB THR A 55 35.276 38.892 19.182 1.00 0.00 C ATOM 876 OG1 THR A 55 34.380 37.980 19.777 1.00 0.00 O ATOM 877 CG2 THR A 55 35.399 38.497 17.712 1.00 0.00 C ATOM 0 H THR A 55 36.564 36.856 20.206 1.00 0.00 H new ATOM 0 HA THR A 55 37.328 39.500 19.335 1.00 0.00 H new ATOM 0 HB THR A 55 34.906 39.915 19.257 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.528 37.996 19.293 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.412 38.507 17.249 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.049 39.205 17.198 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.824 37.496 17.639 1.00 0.00 H new ATOM 885 N LEU A 56 36.340 40.894 21.277 1.00 0.00 N ATOM 886 CA LEU A 56 36.192 41.692 22.476 1.00 0.00 C ATOM 887 C LEU A 56 34.939 41.347 23.284 1.00 0.00 C ATOM 888 O LEU A 56 35.014 41.294 24.510 1.00 0.00 O ATOM 889 CB LEU A 56 36.221 43.172 22.102 1.00 0.00 C ATOM 890 CG LEU A 56 37.524 43.684 21.494 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.393 45.179 21.218 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.725 43.487 22.413 1.00 0.00 C ATOM 0 H LEU A 56 36.352 41.450 20.422 1.00 0.00 H new ATOM 0 HA LEU A 56 37.031 41.460 23.132 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.414 43.363 21.395 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.007 43.757 22.997 1.00 0.00 H new ATOM 0 HG LEU A 56 37.693 43.111 20.582 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.321 45.551 20.783 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.572 45.350 20.522 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.193 45.705 22.151 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.622 43.870 21.927 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.561 44.025 23.347 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.852 42.425 22.623 1.00 0.00 H new ATOM 904 N SER A 57 33.812 41.054 22.641 1.00 0.00 N ATOM 905 CA SER A 57 32.614 40.596 23.315 1.00 0.00 C ATOM 906 C SER A 57 32.810 39.244 24.003 1.00 0.00 C ATOM 907 O SER A 57 32.428 39.095 25.162 1.00 0.00 O ATOM 908 CB SER A 57 31.417 40.551 22.369 1.00 0.00 C ATOM 909 OG SER A 57 31.617 39.691 21.271 1.00 0.00 O ATOM 0 H SER A 57 33.710 41.130 21.629 1.00 0.00 H new ATOM 0 HA SER A 57 32.404 41.329 24.094 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.535 40.227 22.922 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.212 41.557 22.003 1.00 0.00 H new ATOM 0 HG SER A 57 30.821 39.699 20.700 1.00 0.00 H new ATOM 915 N ASP A 58 33.476 38.288 23.362 1.00 0.00 N ATOM 916 CA ASP A 58 33.811 37.008 23.950 1.00 0.00 C ATOM 917 C ASP A 58 34.867 37.093 25.055 1.00 0.00 C ATOM 918 O ASP A 58 35.037 36.131 25.801 1.00 0.00 O ATOM 919 CB ASP A 58 34.216 36.008 22.869 1.00 0.00 C ATOM 920 CG ASP A 58 33.037 35.446 22.072 1.00 0.00 C ATOM 921 OD1 ASP A 58 31.874 35.538 22.524 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.268 34.848 20.999 1.00 0.00 O ATOM 0 H ASP A 58 33.801 38.390 22.401 1.00 0.00 H new ATOM 0 HA ASP A 58 32.905 36.652 24.441 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.909 36.492 22.181 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.754 35.182 23.335 1.00 0.00 H new ATOM 927 N TYR A 59 35.550 38.223 25.206 1.00 0.00 N ATOM 928 CA TYR A 59 36.396 38.546 26.339 1.00 0.00 C ATOM 929 C TYR A 59 35.747 39.433 27.403 1.00 0.00 C ATOM 930 O TYR A 59 36.397 39.718 28.406 1.00 0.00 O ATOM 931 CB TYR A 59 37.713 39.128 25.837 1.00 0.00 C ATOM 932 CG TYR A 59 38.709 38.115 25.327 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.137 37.088 26.176 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.266 38.242 24.048 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.107 36.168 25.755 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.263 37.355 23.627 1.00 0.00 C ATOM 937 CZ TYR A 59 40.683 36.313 24.477 1.00 0.00 C ATOM 938 OH TYR A 59 41.627 35.424 24.055 1.00 0.00 O ATOM 0 H TYR A 59 35.525 38.968 24.510 1.00 0.00 H new ATOM 0 HA TYR A 59 36.578 37.609 26.865 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.498 39.837 25.037 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.175 39.692 26.647 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.715 37.003 27.167 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.926 39.025 23.386 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.409 35.358 26.402 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.710 37.469 22.651 1.00 0.00 H new ATOM 0 HH TYR A 59 41.389 35.093 23.164 1.00 0.00 H new ATOM 948 N ASN A 60 34.490 39.839 27.243 1.00 0.00 N ATOM 949 CA ASN A 60 33.799 40.771 28.111 1.00 0.00 C ATOM 950 C ASN A 60 34.508 42.118 28.262 1.00 0.00 C ATOM 951 O ASN A 60 34.546 42.694 29.347 1.00 0.00 O ATOM 952 CB ASN A 60 33.398 40.115 29.429 1.00 0.00 C ATOM 953 CG ASN A 60 32.408 38.965 29.239 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.758 37.789 29.309 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.139 39.268 28.982 1.00 0.00 N ATOM 0 H ASN A 60 33.907 39.511 26.473 1.00 0.00 H new ATOM 0 HA ASN A 60 32.867 41.036 27.611 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.291 39.741 29.930 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.955 40.866 30.084 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.455 38.524 28.843 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.849 40.244 28.924 1.00 0.00 H new ATOM 962 N ILE A 61 35.056 42.636 27.167 1.00 0.00 N ATOM 963 CA ILE A 61 35.657 43.953 27.110 1.00 0.00 C ATOM 964 C ILE A 61 34.575 44.978 26.763 1.00 0.00 C ATOM 965 O ILE A 61 33.729 44.759 25.899 1.00 0.00 O ATOM 966 CB ILE A 61 36.872 43.944 26.186 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.983 43.105 26.811 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.376 45.355 25.900 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.087 42.673 25.850 1.00 0.00 C ATOM 0 H ILE A 61 35.092 42.136 26.278 1.00 0.00 H new ATOM 0 HA ILE A 61 36.056 44.253 28.079 1.00 0.00 H new ATOM 0 HB ILE A 61 36.570 43.506 25.235 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.433 43.674 27.624 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.539 42.214 27.254 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.241 45.305 25.239 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.586 45.933 25.421 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.661 45.836 26.836 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.828 42.082 26.389 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.657 42.072 25.049 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.565 43.555 25.425 1.00 0.00 H new ATOM 981 N GLN A 62 34.596 46.098 27.480 1.00 0.00 N ATOM 982 CA GLN A 62 33.542 47.091 27.528 1.00 0.00 C ATOM 983 C GLN A 62 34.009 48.461 27.031 1.00 0.00 C ATOM 984 O GLN A 62 35.209 48.706 26.924 1.00 0.00 O ATOM 985 CB GLN A 62 33.050 47.229 28.966 1.00 0.00 C ATOM 986 CG GLN A 62 32.658 45.918 29.642 1.00 0.00 C ATOM 987 CD GLN A 62 32.006 46.183 31.000 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.788 46.292 31.115 1.00 0.00 O ATOM 989 NE2 GLN A 62 32.779 46.368 32.065 1.00 0.00 N ATOM 0 H GLN A 62 35.391 46.344 28.070 1.00 0.00 H new ATOM 0 HA GLN A 62 32.742 46.753 26.870 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.832 47.706 29.557 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.189 47.898 28.977 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.968 45.366 29.004 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.541 45.293 29.773 1.00 0.00 H new ATOM 0 HE21 GLN A 62 33.792 46.280 31.982 1.00 0.00 H new ATOM 0 HE22 GLN A 62 32.360 46.598 32.966 1.00 0.00 H new ATOM 998 N LYS A 63 33.078 49.395 26.860 1.00 0.00 N ATOM 999 CA LYS A 63 33.352 50.810 26.698 1.00 0.00 C ATOM 1000 C LYS A 63 34.350 51.311 27.744 1.00 0.00 C ATOM 1001 O LYS A 63 34.273 50.927 28.908 1.00 0.00 O ATOM 1002 CB LYS A 63 32.038 51.583 26.747 1.00 0.00 C ATOM 1003 CG LYS A 63 31.390 51.618 28.127 1.00 0.00 C ATOM 1004 CD LYS A 63 29.989 52.222 28.150 1.00 0.00 C ATOM 1005 CE LYS A 63 29.506 52.237 29.597 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.150 52.790 29.734 1.00 0.00 N ATOM 0 H LYS A 63 32.082 49.176 26.830 1.00 0.00 H new ATOM 0 HA LYS A 63 33.819 50.976 25.727 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.217 52.606 26.415 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.339 51.136 26.040 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.341 50.602 28.518 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.029 52.188 28.801 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.003 53.233 27.742 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.311 51.637 27.528 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.522 51.221 29.992 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.197 52.825 30.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.870 52.778 30.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.137 53.769 29.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.483 52.215 29.181 1.00 0.00 H new ATOM 1020 N GLU A 64 35.290 52.163 27.346 1.00 0.00 N ATOM 1021 CA GLU A 64 36.282 52.796 28.192 1.00 0.00 C ATOM 1022 C GLU A 64 37.201 51.862 28.983 1.00 0.00 C ATOM 1023 O GLU A 64 37.935 52.323 29.856 1.00 0.00 O ATOM 1024 CB GLU A 64 35.637 53.898 29.027 1.00 0.00 C ATOM 1025 CG GLU A 64 35.097 55.032 28.160 1.00 0.00 C ATOM 1026 CD GLU A 64 34.348 56.078 28.988 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.133 56.268 28.768 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.962 56.773 29.826 1.00 0.00 O ATOM 0 H GLU A 64 35.380 52.442 26.369 1.00 0.00 H new ATOM 0 HA GLU A 64 36.999 53.256 27.512 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.825 53.476 29.619 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.369 54.296 29.729 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.922 55.510 27.633 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.429 54.623 27.402 1.00 0.00 H new ATOM 1035 N SER A 65 37.226 50.571 28.667 1.00 0.00 N ATOM 1036 CA SER A 65 38.146 49.613 29.249 1.00 0.00 C ATOM 1037 C SER A 65 39.602 49.941 28.917 1.00 0.00 C ATOM 1038 O SER A 65 39.897 50.463 27.844 1.00 0.00 O ATOM 1039 CB SER A 65 37.873 48.192 28.766 1.00 0.00 C ATOM 1040 OG SER A 65 36.552 47.793 29.061 1.00 0.00 O ATOM 0 H SER A 65 36.591 50.158 27.984 1.00 0.00 H new ATOM 0 HA SER A 65 37.986 49.678 30.325 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.041 48.133 27.691 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.576 47.505 29.237 1.00 0.00 H new ATOM 0 HG SER A 65 35.934 48.212 28.426 1.00 0.00 H new ATOM 1046 N THR A 66 40.516 49.567 29.808 1.00 0.00 N ATOM 1047 CA THR A 66 41.948 49.712 29.641 1.00 0.00 C ATOM 1048 C THR A 66 42.592 48.325 29.605 1.00 0.00 C ATOM 1049 O THR A 66 42.507 47.564 30.567 1.00 0.00 O ATOM 1050 CB THR A 66 42.557 50.592 30.729 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.917 51.848 30.745 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.041 50.866 30.498 1.00 0.00 C ATOM 0 H THR A 66 40.263 49.139 30.699 1.00 0.00 H new ATOM 0 HA THR A 66 42.146 50.217 28.696 1.00 0.00 H new ATOM 0 HB THR A 66 42.426 50.050 31.666 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.311 52.407 31.447 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.424 51.496 31.301 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.587 49.923 30.485 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.173 51.375 29.543 1.00 0.00 H new ATOM 1060 N LEU A 67 43.252 48.002 28.497 1.00 0.00 N ATOM 1061 CA LEU A 67 44.116 46.846 28.365 1.00 0.00 C ATOM 1062 C LEU A 67 45.530 47.239 28.797 1.00 0.00 C ATOM 1063 O LEU A 67 45.885 48.414 28.734 1.00 0.00 O ATOM 1064 CB LEU A 67 44.099 46.312 26.935 1.00 0.00 C ATOM 1065 CG LEU A 67 42.756 46.283 26.209 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.928 45.718 24.801 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.708 45.434 26.923 1.00 0.00 C ATOM 0 H LEU A 67 43.195 48.558 27.644 1.00 0.00 H new ATOM 0 HA LEU A 67 43.755 46.043 29.007 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.788 46.914 26.343 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.495 45.297 26.950 1.00 0.00 H new ATOM 0 HG LEU A 67 42.408 47.316 26.185 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.963 45.703 24.295 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.622 46.344 24.240 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.322 44.703 24.862 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.777 45.454 26.357 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.063 44.406 27.001 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.534 45.834 27.922 1.00 0.00 H new ATOM 1079 N HIS A 68 46.372 46.280 29.173 1.00 0.00 N ATOM 1080 CA HIS A 68 47.796 46.490 29.340 1.00 0.00 C ATOM 1081 C HIS A 68 48.547 45.783 28.211 1.00 0.00 C ATOM 1082 O HIS A 68 48.126 44.717 27.765 1.00 0.00 O ATOM 1083 CB HIS A 68 48.257 46.051 30.727 1.00 0.00 C ATOM 1084 CG HIS A 68 47.808 46.945 31.850 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.646 47.607 32.745 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.509 47.207 32.202 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.850 48.252 33.602 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.559 48.023 33.315 1.00 0.00 N ATOM 0 H HIS A 68 46.074 45.325 29.371 1.00 0.00 H new ATOM 0 HA HIS A 68 48.021 47.554 29.274 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.890 45.042 30.915 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.346 46.000 30.734 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.620 46.846 31.706 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.198 48.873 34.415 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.756 48.387 33.828 1.00 0.00 H new ATOM 1096 N LEU A 69 49.637 46.382 27.737 1.00 0.00 N ATOM 1097 CA LEU A 69 50.460 45.896 26.649 1.00 0.00 C ATOM 1098 C LEU A 69 51.883 45.625 27.140 1.00 0.00 C ATOM 1099 O LEU A 69 52.466 46.451 27.839 1.00 0.00 O ATOM 1100 CB LEU A 69 50.430 46.927 25.526 1.00 0.00 C ATOM 1101 CG LEU A 69 51.389 46.741 24.353 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.150 45.459 23.562 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.232 47.907 23.381 1.00 0.00 C ATOM 0 H LEU A 69 49.981 47.261 28.124 1.00 0.00 H new ATOM 0 HA LEU A 69 50.072 44.951 26.269 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.416 46.955 25.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.627 47.905 25.966 1.00 0.00 H new ATOM 0 HG LEU A 69 52.387 46.690 24.788 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.869 45.396 22.745 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.271 44.598 24.219 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.139 45.465 23.156 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.916 47.776 22.542 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.207 47.937 23.012 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.461 48.841 23.894 1.00 0.00 H new ATOM 1115 N VAL A 70 52.474 44.515 26.705 1.00 0.00 N ATOM 1116 CA VAL A 70 53.877 44.206 26.889 1.00 0.00 C ATOM 1117 C VAL A 70 54.547 43.890 25.550 1.00 0.00 C ATOM 1118 O VAL A 70 53.970 43.214 24.701 1.00 0.00 O ATOM 1119 CB VAL A 70 54.062 43.118 27.944 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.581 41.737 27.511 1.00 0.00 C ATOM 1121 CG2 VAL A 70 55.511 43.006 28.408 1.00 0.00 C ATOM 0 H VAL A 70 51.968 43.787 26.200 1.00 0.00 H new ATOM 0 HA VAL A 70 54.388 45.087 27.277 1.00 0.00 H new ATOM 0 HB VAL A 70 53.430 43.446 28.770 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.749 41.024 28.318 1.00 0.00 H new ATOM 0 HG12 VAL A 70 52.517 41.779 27.279 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.133 41.420 26.626 1.00 0.00 H new ATOM 0 HG21 VAL A 70 55.593 42.219 29.158 1.00 0.00 H new ATOM 0 HG22 VAL A 70 56.148 42.764 27.557 1.00 0.00 H new ATOM 0 HG23 VAL A 70 55.829 43.955 28.841 1.00 0.00 H new ATOM 1131 N LEU A 71 55.756 44.410 25.358 1.00 0.00 N ATOM 1132 CA LEU A 71 56.610 44.199 24.207 1.00 0.00 C ATOM 1133 C LEU A 71 57.437 42.922 24.367 1.00 0.00 C ATOM 1134 O LEU A 71 57.974 42.664 25.442 1.00 0.00 O ATOM 1135 CB LEU A 71 57.492 45.430 24.030 1.00 0.00 C ATOM 1136 CG LEU A 71 58.295 45.479 22.732 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.410 45.739 21.516 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.335 46.594 22.799 1.00 0.00 C ATOM 0 H LEU A 71 56.186 45.027 26.047 1.00 0.00 H new ATOM 0 HA LEU A 71 56.004 44.064 23.311 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.862 46.318 24.081 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.186 45.483 24.869 1.00 0.00 H new ATOM 0 HG LEU A 71 58.771 44.504 22.623 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.026 45.765 20.617 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.671 44.943 21.427 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.900 46.695 21.635 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.902 46.620 21.868 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.834 47.551 22.945 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.014 46.409 23.632 1.00 0.00 H new ATOM 1150 N ARG A 72 57.565 42.152 23.290 1.00 0.00 N ATOM 1151 CA ARG A 72 58.232 40.868 23.222 1.00 0.00 C ATOM 1152 C ARG A 72 59.263 40.841 22.092 1.00 0.00 C ATOM 1153 O ARG A 72 58.923 40.521 20.954 1.00 0.00 O ATOM 1154 CB ARG A 72 57.179 39.779 23.039 1.00 0.00 C ATOM 1155 CG ARG A 72 56.206 39.585 24.199 1.00 0.00 C ATOM 1156 CD ARG A 72 56.943 39.138 25.458 1.00 0.00 C ATOM 1157 NE ARG A 72 56.056 38.636 26.509 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.475 37.966 27.590 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.772 37.724 27.822 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.586 37.520 28.488 1.00 0.00 N ATOM 0 H ARG A 72 57.179 42.431 22.388 1.00 0.00 H new ATOM 0 HA ARG A 72 58.777 40.691 24.149 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.603 40.006 22.142 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.691 38.834 22.858 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.676 40.517 24.394 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.455 38.842 23.929 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.657 38.358 25.193 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.518 39.977 25.850 1.00 0.00 H new ATOM 0 HE ARG A 72 55.055 38.808 26.412 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.478 38.054 27.164 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.054 37.210 28.657 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.590 37.691 28.348 1.00 0.00 H new ATOM 0 HH22 ARG A 72 55.905 37.010 29.311 1.00 0.00 H new ATOM 1174 N LEU A 73 60.520 41.158 22.389 1.00 0.00 N ATOM 1175 CA LEU A 73 61.613 41.162 21.439 1.00 0.00 C ATOM 1176 C LEU A 73 62.436 39.873 21.489 1.00 0.00 C ATOM 1177 O LEU A 73 62.684 39.325 22.561 1.00 0.00 O ATOM 1178 CB LEU A 73 62.499 42.385 21.656 1.00 0.00 C ATOM 1179 CG LEU A 73 61.814 43.744 21.557 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.867 44.845 21.663 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.051 43.932 20.250 1.00 0.00 C ATOM 0 H LEU A 73 60.809 41.427 23.330 1.00 0.00 H new ATOM 0 HA LEU A 73 61.176 41.214 20.442 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.957 42.304 22.642 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.307 42.356 20.925 1.00 0.00 H new ATOM 0 HG LEU A 73 61.093 43.797 22.373 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.383 45.819 21.593 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.383 44.764 22.620 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.588 44.739 20.852 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.586 44.918 20.239 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.741 43.847 19.410 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.280 43.166 20.165 1.00 0.00 H new ATOM 1193 N ARG A 74 62.908 39.410 20.335 1.00 0.00 N ATOM 1194 CA ARG A 74 63.687 38.198 20.185 1.00 0.00 C ATOM 1195 C ARG A 74 65.024 38.269 20.926 1.00 0.00 C ATOM 1196 O ARG A 74 65.774 39.230 20.772 1.00 0.00 O ATOM 1197 CB ARG A 74 63.936 37.900 18.708 1.00 0.00 C ATOM 1198 CG ARG A 74 62.673 37.580 17.914 1.00 0.00 C ATOM 1199 CD ARG A 74 63.002 37.517 16.424 1.00 0.00 C ATOM 1200 NE ARG A 74 61.849 37.096 15.628 1.00 0.00 N ATOM 1201 CZ ARG A 74 61.647 37.327 14.324 1.00 0.00 C ATOM 1202 NH1 ARG A 74 62.518 38.012 13.569 1.00 0.00 N ATOM 1203 NH2 ARG A 74 60.544 36.871 13.717 1.00 0.00 N ATOM 0 H ARG A 74 62.749 39.891 19.450 1.00 0.00 H new ATOM 0 HA ARG A 74 63.103 37.392 20.629 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.430 38.759 18.254 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.624 37.058 18.629 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.256 36.629 18.244 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.915 38.341 18.097 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.339 38.497 16.085 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.827 36.823 16.263 1.00 0.00 H new ATOM 0 HE ARG A 74 61.123 36.572 16.117 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.374 38.380 13.984 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.325 38.165 12.579 1.00 0.00 H new ATOM 0 HH21 ARG A 74 59.851 36.344 14.248 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.397 37.051 12.724 1.00 0.00 H new ATOM 1217 N GLY A 75 65.337 37.216 21.675 1.00 0.00 N ATOM 1218 CA GLY A 75 66.586 37.029 22.384 1.00 0.00 C ATOM 1219 C GLY A 75 66.828 35.564 22.756 1.00 0.00 C ATOM 1220 O GLY A 75 65.878 34.823 22.998 1.00 0.00 O ATOM 0 H GLY A 75 64.692 36.437 21.806 1.00 0.00 H new ATOM 0 HA2 GLY A 75 67.410 37.385 21.765 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.582 37.636 23.289 1.00 0.00 H new ATOM 1224 N GLY A 76 68.089 35.143 22.796 1.00 0.00 N ATOM 1225 CA GLY A 76 68.509 33.783 23.066 1.00 0.00 C ATOM 1226 C GLY A 76 68.563 32.904 21.816 1.00 0.00 C ATOM 1227 O GLY A 76 69.419 33.185 20.949 1.00 0.00 O ATOM 1228 OXT GLY A 76 67.779 31.934 21.726 1.00 0.00 O ATOM 0 H GLY A 76 68.875 35.772 22.633 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.494 33.801 23.531 1.00 0.00 H new ATOM 0 HA3 GLY A 76 67.824 33.335 23.786 1.00 0.00 H new TER 1232 GLY A 76