USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 741 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 19 THR OG1 : rot -46:sc= 0.141 USER MOD Set 1.2: A 22 CYS SG : rot 180:sc= 0.263 USER MOD Set 1.3: A 79 ASN : amide:sc= 0.808 K(o=1.2,f=0.39) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.241 X(o=0.24,f=0.52) USER MOD Set 2.2: A 9 SER OG : rot -170:sc= 0.00141 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 8 GLN : amide:sc= 0.734 K(o=0.73,f=-0.44) USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00231) USER MOD Single : A 16 ASN : amide:sc=-0.00255 X(o=-0.0026,f=-0.33) USER MOD Single : A 17 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.51) USER MOD Single : A 18 MET CE :methyl 167:sc= -0.738 (180deg=-0.757) USER MOD Single : A 24 ASN : amide:sc= 0.303 K(o=0.3,f=-1.7!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -38:sc= 0.188 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -96:sc= 0.55 USER MOD Single : A 52 SER OG : rot 96:sc= 0.00711 USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 1.2 (180deg=0.98) USER MOD Single : A 56 GLN : amide:sc=-0.00617 K(o=-0.0062,f=-0.52) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 94:sc= -0.0914 USER MOD Single : A 64 GLN : amide:sc= -0.0309 X(o=-0.031,f=-0.031) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0.959 (180deg=0.95) USER MOD Single : A 77 LYS NZ :NH3+ -108:sc= 0.262 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : A 82 MET CE :methyl -126:sc= -0.0258 (180deg=-0.635) USER MOD Single : A 85 GLN : amide:sc= 0.353 K(o=0.35,f=-0.61) USER MOD Single : A 87 TYR OH : rot 122:sc= 0.176 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 44.822 44.898 -42.186 1.00 0.00 N ATOM 2 CA GLY A 1 44.081 43.845 -41.450 1.00 0.00 C ATOM 3 C GLY A 1 42.694 44.318 -41.040 1.00 0.00 C ATOM 4 O GLY A 1 41.979 44.880 -41.868 1.00 0.00 O ATOM 0 H1 GLY A 1 45.763 44.541 -42.450 1.00 0.00 H new ATOM 0 H2 GLY A 1 44.296 45.156 -43.045 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.928 45.736 -41.580 1.00 0.00 H new ATOM 0 HA2 GLY A 1 43.993 42.957 -42.076 1.00 0.00 H new ATOM 0 HA3 GLY A 1 44.644 43.556 -40.563 1.00 0.00 H new ATOM 7 N ILE A 2 42.310 44.120 -39.770 1.00 0.00 N ATOM 8 CA ILE A 2 40.984 44.501 -39.228 1.00 0.00 C ATOM 9 C ILE A 2 41.158 45.354 -37.968 1.00 0.00 C ATOM 10 O ILE A 2 40.904 46.556 -38.016 1.00 0.00 O ATOM 11 CB ILE A 2 40.095 43.251 -38.980 1.00 0.00 C ATOM 12 CG1 ILE A 2 39.796 42.516 -40.309 1.00 0.00 C ATOM 13 CG2 ILE A 2 38.775 43.638 -38.279 1.00 0.00 C ATOM 14 CD1 ILE A 2 39.109 41.155 -40.135 1.00 0.00 C ATOM 0 H ILE A 2 42.916 43.685 -39.075 1.00 0.00 H new ATOM 0 HA ILE A 2 40.461 45.106 -39.968 1.00 0.00 H new ATOM 0 HB ILE A 2 40.648 42.577 -38.325 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.164 43.152 -40.929 1.00 0.00 H new ATOM 0 HG13 ILE A 2 40.731 42.372 -40.850 1.00 0.00 H new ATOM 0 HG21 ILE A 2 38.173 42.744 -38.118 1.00 0.00 H new ATOM 0 HG22 ILE A 2 38.996 44.104 -37.319 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.223 44.339 -38.904 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.935 40.707 -41.114 1.00 0.00 H new ATOM 0 HD12 ILE A 2 39.747 40.498 -39.544 1.00 0.00 H new ATOM 0 HD13 ILE A 2 38.156 41.291 -39.624 1.00 0.00 H new ATOM 26 N ALA A 3 41.665 44.782 -36.869 1.00 0.00 N ATOM 27 CA ALA A 3 41.878 45.505 -35.610 1.00 0.00 C ATOM 28 C ALA A 3 42.835 46.696 -35.796 1.00 0.00 C ATOM 29 O ALA A 3 42.507 47.836 -35.464 1.00 0.00 O ATOM 30 CB ALA A 3 42.420 44.512 -34.575 1.00 0.00 C ATOM 0 H ALA A 3 41.940 43.801 -36.828 1.00 0.00 H new ATOM 0 HA ALA A 3 40.932 45.922 -35.264 1.00 0.00 H new ATOM 0 HB1 ALA A 3 42.587 45.027 -33.629 1.00 0.00 H new ATOM 0 HB2 ALA A 3 41.698 43.709 -34.429 1.00 0.00 H new ATOM 0 HB3 ALA A 3 43.361 44.093 -34.931 1.00 0.00 H new ATOM 36 N GLN A 4 43.995 46.437 -36.413 1.00 0.00 N ATOM 37 CA GLN A 4 44.976 47.471 -36.753 1.00 0.00 C ATOM 38 C GLN A 4 44.527 48.399 -37.898 1.00 0.00 C ATOM 39 O GLN A 4 45.060 49.494 -38.023 1.00 0.00 O ATOM 40 CB GLN A 4 46.343 46.826 -37.045 1.00 0.00 C ATOM 41 CG GLN A 4 46.389 45.941 -38.307 1.00 0.00 C ATOM 42 CD GLN A 4 46.603 44.467 -37.982 1.00 0.00 C ATOM 43 OE1 GLN A 4 45.665 43.744 -37.673 1.00 0.00 O ATOM 44 NE2 GLN A 4 47.819 43.971 -38.060 1.00 0.00 N ATOM 0 H GLN A 4 44.279 45.498 -36.691 1.00 0.00 H new ATOM 0 HA GLN A 4 45.067 48.120 -35.882 1.00 0.00 H new ATOM 0 HB2 GLN A 4 47.087 47.616 -37.146 1.00 0.00 H new ATOM 0 HB3 GLN A 4 46.634 46.223 -36.185 1.00 0.00 H new ATOM 0 HG2 GLN A 4 45.457 46.056 -38.861 1.00 0.00 H new ATOM 0 HG3 GLN A 4 47.192 46.286 -38.959 1.00 0.00 H new ATOM 0 HE21 GLN A 4 48.600 44.574 -38.318 1.00 0.00 H new ATOM 0 HE22 GLN A 4 47.981 42.983 -37.863 1.00 0.00 H new ATOM 53 N GLN A 5 43.543 48.019 -38.725 1.00 0.00 N ATOM 54 CA GLN A 5 43.019 48.903 -39.779 1.00 0.00 C ATOM 55 C GLN A 5 41.990 49.890 -39.219 1.00 0.00 C ATOM 56 O GLN A 5 42.029 51.067 -39.571 1.00 0.00 O ATOM 57 CB GLN A 5 42.445 48.068 -40.933 1.00 0.00 C ATOM 58 CG GLN A 5 42.136 48.899 -42.195 1.00 0.00 C ATOM 59 CD GLN A 5 40.671 49.329 -42.305 1.00 0.00 C ATOM 60 OE1 GLN A 5 39.827 48.617 -42.834 1.00 0.00 O ATOM 61 NE2 GLN A 5 40.303 50.498 -41.830 1.00 0.00 N ATOM 0 H GLN A 5 43.093 47.105 -38.685 1.00 0.00 H new ATOM 0 HA GLN A 5 43.842 49.500 -40.173 1.00 0.00 H new ATOM 0 HB2 GLN A 5 43.154 47.281 -41.190 1.00 0.00 H new ATOM 0 HB3 GLN A 5 41.531 47.577 -40.597 1.00 0.00 H new ATOM 0 HG2 GLN A 5 42.767 49.787 -42.198 1.00 0.00 H new ATOM 0 HG3 GLN A 5 42.402 48.316 -43.077 1.00 0.00 H new ATOM 0 HE21 GLN A 5 40.990 51.107 -41.385 1.00 0.00 H new ATOM 0 HE22 GLN A 5 39.331 50.796 -41.906 1.00 0.00 H new ATOM 70 N TRP A 6 41.118 49.441 -38.310 1.00 0.00 N ATOM 71 CA TRP A 6 40.211 50.304 -37.543 1.00 0.00 C ATOM 72 C TRP A 6 41.017 51.366 -36.780 1.00 0.00 C ATOM 73 O TRP A 6 40.759 52.565 -36.909 1.00 0.00 O ATOM 74 CB TRP A 6 39.374 49.412 -36.610 1.00 0.00 C ATOM 75 CG TRP A 6 38.107 49.993 -36.055 1.00 0.00 C ATOM 76 CD1 TRP A 6 36.956 50.146 -36.750 1.00 0.00 C ATOM 77 CD2 TRP A 6 37.796 50.399 -34.684 1.00 0.00 C ATOM 78 NE1 TRP A 6 35.959 50.600 -35.910 1.00 0.00 N ATOM 79 CE2 TRP A 6 36.419 50.780 -34.625 1.00 0.00 C ATOM 80 CE3 TRP A 6 38.527 50.478 -33.479 1.00 0.00 C ATOM 81 CZ2 TRP A 6 35.795 51.182 -33.438 1.00 0.00 C ATOM 82 CZ3 TRP A 6 37.913 50.895 -32.281 1.00 0.00 C ATOM 83 CH2 TRP A 6 36.546 51.226 -32.253 1.00 0.00 C ATOM 0 H TRP A 6 41.020 48.452 -38.082 1.00 0.00 H new ATOM 0 HA TRP A 6 39.532 50.845 -38.202 1.00 0.00 H new ATOM 0 HB2 TRP A 6 39.118 48.502 -37.153 1.00 0.00 H new ATOM 0 HB3 TRP A 6 40.005 49.116 -35.772 1.00 0.00 H new ATOM 0 HD1 TRP A 6 36.835 49.943 -37.804 1.00 0.00 H new ATOM 0 HE1 TRP A 6 34.999 50.780 -36.205 1.00 0.00 H new ATOM 0 HE3 TRP A 6 39.574 50.214 -33.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 34.750 51.455 -33.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 38.498 50.961 -31.375 1.00 0.00 H new ATOM 0 HH2 TRP A 6 36.076 51.513 -31.324 1.00 0.00 H new ATOM 94 N ILE A 7 42.082 50.934 -36.091 1.00 0.00 N ATOM 95 CA ILE A 7 43.052 51.820 -35.436 1.00 0.00 C ATOM 96 C ILE A 7 43.746 52.757 -36.445 1.00 0.00 C ATOM 97 O ILE A 7 43.663 53.970 -36.284 1.00 0.00 O ATOM 98 CB ILE A 7 43.983 50.982 -34.508 1.00 0.00 C ATOM 99 CG1 ILE A 7 43.830 51.433 -33.041 1.00 0.00 C ATOM 100 CG2 ILE A 7 45.471 50.965 -34.894 1.00 0.00 C ATOM 101 CD1 ILE A 7 44.185 50.354 -32.012 1.00 0.00 C ATOM 0 H ILE A 7 42.296 49.944 -35.972 1.00 0.00 H new ATOM 0 HA ILE A 7 42.545 52.520 -34.773 1.00 0.00 H new ATOM 0 HB ILE A 7 43.642 49.955 -34.639 1.00 0.00 H new ATOM 0 HG12 ILE A 7 44.464 52.303 -32.872 1.00 0.00 H new ATOM 0 HG13 ILE A 7 42.801 51.752 -32.876 1.00 0.00 H new ATOM 0 HG21 ILE A 7 46.025 50.353 -34.182 1.00 0.00 H new ATOM 0 HG22 ILE A 7 45.583 50.548 -35.895 1.00 0.00 H new ATOM 0 HG23 ILE A 7 45.862 51.982 -34.880 1.00 0.00 H new ATOM 0 HD11 ILE A 7 44.051 50.752 -31.006 1.00 0.00 H new ATOM 0 HD12 ILE A 7 43.534 49.491 -32.151 1.00 0.00 H new ATOM 0 HD13 ILE A 7 45.223 50.051 -32.146 1.00 0.00 H new ATOM 113 N GLN A 8 44.318 52.267 -37.550 1.00 0.00 N ATOM 114 CA GLN A 8 44.946 53.107 -38.590 1.00 0.00 C ATOM 115 C GLN A 8 43.954 53.947 -39.444 1.00 0.00 C ATOM 116 O GLN A 8 44.371 54.569 -40.426 1.00 0.00 O ATOM 117 CB GLN A 8 45.901 52.258 -39.456 1.00 0.00 C ATOM 118 CG GLN A 8 47.183 51.832 -38.706 1.00 0.00 C ATOM 119 CD GLN A 8 48.158 51.052 -39.597 1.00 0.00 C ATOM 120 OE1 GLN A 8 48.227 51.228 -40.808 1.00 0.00 O ATOM 121 NE2 GLN A 8 48.970 50.165 -39.062 1.00 0.00 N ATOM 0 H GLN A 8 44.361 51.269 -37.755 1.00 0.00 H new ATOM 0 HA GLN A 8 45.526 53.862 -38.060 1.00 0.00 H new ATOM 0 HB2 GLN A 8 45.375 51.367 -39.799 1.00 0.00 H new ATOM 0 HB3 GLN A 8 46.179 52.826 -40.344 1.00 0.00 H new ATOM 0 HG2 GLN A 8 47.683 52.719 -38.317 1.00 0.00 H new ATOM 0 HG3 GLN A 8 46.910 51.217 -37.848 1.00 0.00 H new ATOM 0 HE21 GLN A 8 48.943 49.990 -38.058 1.00 0.00 H new ATOM 0 HE22 GLN A 8 49.626 49.653 -39.652 1.00 0.00 H new ATOM 130 N SER A 9 42.672 54.037 -39.057 1.00 0.00 N ATOM 131 CA SER A 9 41.657 54.911 -39.680 1.00 0.00 C ATOM 132 C SER A 9 40.985 55.892 -38.708 1.00 0.00 C ATOM 133 O SER A 9 40.565 56.968 -39.142 1.00 0.00 O ATOM 134 CB SER A 9 40.567 54.081 -40.368 1.00 0.00 C ATOM 135 OG SER A 9 41.070 53.483 -41.553 1.00 0.00 O ATOM 0 H SER A 9 42.299 53.490 -38.281 1.00 0.00 H new ATOM 0 HA SER A 9 42.211 55.504 -40.407 1.00 0.00 H new ATOM 0 HB2 SER A 9 40.207 53.308 -39.689 1.00 0.00 H new ATOM 0 HB3 SER A 9 39.715 54.717 -40.608 1.00 0.00 H new ATOM 0 HG SER A 9 40.330 53.090 -42.061 1.00 0.00 H new ATOM 141 N LYS A 10 40.909 55.576 -37.406 1.00 0.00 N ATOM 142 CA LYS A 10 40.297 56.444 -36.374 1.00 0.00 C ATOM 143 C LYS A 10 41.101 56.515 -35.069 1.00 0.00 C ATOM 144 O LYS A 10 40.539 56.771 -34.007 1.00 0.00 O ATOM 145 CB LYS A 10 38.818 56.054 -36.182 1.00 0.00 C ATOM 146 CG LYS A 10 38.621 54.744 -35.403 1.00 0.00 C ATOM 147 CD LYS A 10 37.610 53.785 -36.041 1.00 0.00 C ATOM 148 CE LYS A 10 36.133 54.148 -35.818 1.00 0.00 C ATOM 149 NZ LYS A 10 35.626 55.152 -36.793 1.00 0.00 N ATOM 0 H LYS A 10 41.274 54.701 -37.030 1.00 0.00 H new ATOM 0 HA LYS A 10 40.326 57.472 -36.735 1.00 0.00 H new ATOM 0 HB2 LYS A 10 38.304 56.859 -35.657 1.00 0.00 H new ATOM 0 HB3 LYS A 10 38.346 55.959 -37.160 1.00 0.00 H new ATOM 0 HG2 LYS A 10 39.582 54.237 -35.316 1.00 0.00 H new ATOM 0 HG3 LYS A 10 38.293 54.981 -34.391 1.00 0.00 H new ATOM 0 HD2 LYS A 10 37.799 53.744 -37.114 1.00 0.00 H new ATOM 0 HD3 LYS A 10 37.785 52.784 -35.648 1.00 0.00 H new ATOM 0 HE2 LYS A 10 35.528 53.244 -35.888 1.00 0.00 H new ATOM 0 HE3 LYS A 10 36.009 54.537 -34.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 34.622 55.344 -36.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 36.171 56.033 -36.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 35.731 54.782 -37.759 1.00 0.00 H new ATOM 163 N ARG A 11 42.420 56.307 -35.143 1.00 0.00 N ATOM 164 CA ARG A 11 43.377 56.398 -34.024 1.00 0.00 C ATOM 165 C ARG A 11 43.179 57.646 -33.170 1.00 0.00 C ATOM 166 O ARG A 11 42.981 57.532 -31.969 1.00 0.00 O ATOM 167 CB ARG A 11 44.819 56.300 -34.575 1.00 0.00 C ATOM 168 CG ARG A 11 45.522 55.040 -34.056 1.00 0.00 C ATOM 169 CD ARG A 11 46.773 54.642 -34.855 1.00 0.00 C ATOM 170 NE ARG A 11 47.772 55.722 -34.970 1.00 0.00 N ATOM 171 CZ ARG A 11 48.958 55.622 -35.547 1.00 0.00 C ATOM 172 NH1 ARG A 11 49.420 54.489 -35.997 1.00 0.00 N ATOM 173 NH2 ARG A 11 49.712 56.673 -35.691 1.00 0.00 N ATOM 0 H ARG A 11 42.875 56.059 -36.022 1.00 0.00 H new ATOM 0 HA ARG A 11 43.191 55.559 -33.353 1.00 0.00 H new ATOM 0 HB2 ARG A 11 44.795 56.285 -35.665 1.00 0.00 H new ATOM 0 HB3 ARG A 11 45.385 57.184 -34.281 1.00 0.00 H new ATOM 0 HG2 ARG A 11 45.804 55.198 -33.015 1.00 0.00 H new ATOM 0 HG3 ARG A 11 44.815 54.210 -34.072 1.00 0.00 H new ATOM 0 HD2 ARG A 11 47.238 53.778 -34.379 1.00 0.00 H new ATOM 0 HD3 ARG A 11 46.471 54.331 -35.855 1.00 0.00 H new ATOM 0 HE ARG A 11 47.526 56.627 -34.569 1.00 0.00 H new ATOM 0 HH11 ARG A 11 48.862 53.640 -35.910 1.00 0.00 H new ATOM 0 HH12 ARG A 11 50.340 54.452 -36.436 1.00 0.00 H new ATOM 0 HH21 ARG A 11 49.390 57.582 -35.358 1.00 0.00 H new ATOM 0 HH22 ARG A 11 50.625 56.588 -36.137 1.00 0.00 H new ATOM 187 N GLU A 12 43.151 58.828 -33.778 1.00 0.00 N ATOM 188 CA GLU A 12 42.904 60.085 -33.055 1.00 0.00 C ATOM 189 C GLU A 12 41.516 60.139 -32.391 1.00 0.00 C ATOM 190 O GLU A 12 41.379 60.724 -31.319 1.00 0.00 O ATOM 191 CB GLU A 12 43.109 61.278 -34.000 1.00 0.00 C ATOM 192 CG GLU A 12 44.601 61.528 -34.258 1.00 0.00 C ATOM 193 CD GLU A 12 44.806 62.605 -35.340 1.00 0.00 C ATOM 194 OE1 GLU A 12 44.858 63.812 -35.001 1.00 0.00 O ATOM 195 OE2 GLU A 12 44.930 62.250 -36.538 1.00 0.00 O ATOM 0 H GLU A 12 43.297 58.948 -34.780 1.00 0.00 H new ATOM 0 HA GLU A 12 43.627 60.136 -32.241 1.00 0.00 H new ATOM 0 HB2 GLU A 12 42.600 61.089 -34.945 1.00 0.00 H new ATOM 0 HB3 GLU A 12 42.657 62.171 -33.567 1.00 0.00 H new ATOM 0 HG2 GLU A 12 45.085 61.841 -33.333 1.00 0.00 H new ATOM 0 HG3 GLU A 12 45.079 60.600 -34.570 1.00 0.00 H new ATOM 202 N ASP A 13 40.497 59.487 -32.959 1.00 0.00 N ATOM 203 CA ASP A 13 39.180 59.341 -32.326 1.00 0.00 C ATOM 204 C ASP A 13 39.265 58.434 -31.085 1.00 0.00 C ATOM 205 O ASP A 13 38.865 58.837 -29.997 1.00 0.00 O ATOM 206 CB ASP A 13 38.156 58.806 -33.345 1.00 0.00 C ATOM 207 CG ASP A 13 36.777 59.472 -33.192 1.00 0.00 C ATOM 208 OD1 ASP A 13 36.240 59.528 -32.061 1.00 0.00 O ATOM 209 OD2 ASP A 13 36.225 59.947 -34.215 1.00 0.00 O ATOM 0 H ASP A 13 40.561 59.043 -33.875 1.00 0.00 H new ATOM 0 HA ASP A 13 38.843 60.322 -31.990 1.00 0.00 H new ATOM 0 HB2 ASP A 13 38.529 58.976 -34.355 1.00 0.00 H new ATOM 0 HB3 ASP A 13 38.052 57.728 -33.221 1.00 0.00 H new ATOM 214 N ILE A 14 39.883 57.253 -31.209 1.00 0.00 N ATOM 215 CA ILE A 14 40.152 56.314 -30.101 1.00 0.00 C ATOM 216 C ILE A 14 40.920 57.000 -28.964 1.00 0.00 C ATOM 217 O ILE A 14 40.549 56.860 -27.798 1.00 0.00 O ATOM 218 CB ILE A 14 40.897 55.068 -30.645 1.00 0.00 C ATOM 219 CG1 ILE A 14 39.936 54.259 -31.544 1.00 0.00 C ATOM 220 CG2 ILE A 14 41.480 54.180 -29.527 1.00 0.00 C ATOM 221 CD1 ILE A 14 40.625 53.224 -32.428 1.00 0.00 C ATOM 0 H ILE A 14 40.222 56.910 -32.108 1.00 0.00 H new ATOM 0 HA ILE A 14 39.205 55.983 -29.675 1.00 0.00 H new ATOM 0 HB ILE A 14 41.750 55.416 -31.227 1.00 0.00 H new ATOM 0 HG12 ILE A 14 39.206 53.752 -30.912 1.00 0.00 H new ATOM 0 HG13 ILE A 14 39.382 54.951 -32.179 1.00 0.00 H new ATOM 0 HG21 ILE A 14 41.989 53.324 -29.970 1.00 0.00 H new ATOM 0 HG22 ILE A 14 42.190 54.758 -28.936 1.00 0.00 H new ATOM 0 HG23 ILE A 14 40.673 53.829 -28.883 1.00 0.00 H new ATOM 0 HD11 ILE A 14 39.878 52.701 -33.026 1.00 0.00 H new ATOM 0 HD12 ILE A 14 41.334 53.724 -33.088 1.00 0.00 H new ATOM 0 HD13 ILE A 14 41.156 52.506 -31.802 1.00 0.00 H new ATOM 233 N VAL A 15 41.947 57.783 -29.297 1.00 0.00 N ATOM 234 CA VAL A 15 42.770 58.532 -28.336 1.00 0.00 C ATOM 235 C VAL A 15 42.003 59.692 -27.680 1.00 0.00 C ATOM 236 O VAL A 15 42.187 59.941 -26.490 1.00 0.00 O ATOM 237 CB VAL A 15 44.054 59.035 -29.022 1.00 0.00 C ATOM 238 CG1 VAL A 15 44.924 59.847 -28.062 1.00 0.00 C ATOM 239 CG2 VAL A 15 44.937 57.875 -29.500 1.00 0.00 C ATOM 0 H VAL A 15 42.240 57.920 -30.265 1.00 0.00 H new ATOM 0 HA VAL A 15 43.039 57.848 -27.531 1.00 0.00 H new ATOM 0 HB VAL A 15 43.712 59.642 -29.860 1.00 0.00 H new ATOM 0 HG11 VAL A 15 45.821 60.185 -28.581 1.00 0.00 H new ATOM 0 HG12 VAL A 15 44.364 60.711 -27.706 1.00 0.00 H new ATOM 0 HG13 VAL A 15 45.209 59.224 -27.214 1.00 0.00 H new ATOM 0 HG21 VAL A 15 45.832 58.272 -29.978 1.00 0.00 H new ATOM 0 HG22 VAL A 15 45.224 57.260 -28.647 1.00 0.00 H new ATOM 0 HG23 VAL A 15 44.383 57.267 -30.215 1.00 0.00 H new ATOM 249 N ASN A 16 41.120 60.387 -28.407 1.00 0.00 N ATOM 250 CA ASN A 16 40.234 61.404 -27.823 1.00 0.00 C ATOM 251 C ASN A 16 39.139 60.794 -26.924 1.00 0.00 C ATOM 252 O ASN A 16 38.790 61.385 -25.900 1.00 0.00 O ATOM 253 CB ASN A 16 39.611 62.260 -28.944 1.00 0.00 C ATOM 254 CG ASN A 16 40.540 63.358 -29.446 1.00 0.00 C ATOM 255 OD1 ASN A 16 41.174 64.071 -28.680 1.00 0.00 O ATOM 256 ND2 ASN A 16 40.627 63.561 -30.741 1.00 0.00 N ATOM 0 H ASN A 16 40.999 60.262 -29.412 1.00 0.00 H new ATOM 0 HA ASN A 16 40.843 62.038 -27.178 1.00 0.00 H new ATOM 0 HB2 ASN A 16 39.339 61.613 -29.778 1.00 0.00 H new ATOM 0 HB3 ASN A 16 38.689 62.712 -28.578 1.00 0.00 H new ATOM 0 HD21 ASN A 16 41.220 64.309 -31.101 1.00 0.00 H new ATOM 0 HD22 ASN A 16 40.102 62.971 -31.386 1.00 0.00 H new ATOM 263 N GLN A 17 38.601 59.624 -27.285 1.00 0.00 N ATOM 264 CA GLN A 17 37.556 58.928 -26.527 1.00 0.00 C ATOM 265 C GLN A 17 38.097 58.267 -25.248 1.00 0.00 C ATOM 266 O GLN A 17 37.526 58.466 -24.173 1.00 0.00 O ATOM 267 CB GLN A 17 36.873 57.878 -27.429 1.00 0.00 C ATOM 268 CG GLN A 17 35.991 58.494 -28.532 1.00 0.00 C ATOM 269 CD GLN A 17 34.780 59.271 -28.020 1.00 0.00 C ATOM 270 OE1 GLN A 17 34.234 59.026 -26.953 1.00 0.00 O ATOM 271 NE2 GLN A 17 34.305 60.238 -28.776 1.00 0.00 N ATOM 0 H GLN A 17 38.885 59.125 -28.128 1.00 0.00 H new ATOM 0 HA GLN A 17 36.826 59.674 -26.211 1.00 0.00 H new ATOM 0 HB2 GLN A 17 37.639 57.256 -27.893 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.261 57.222 -26.810 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.604 59.161 -29.138 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.643 57.696 -29.188 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.750 60.453 -29.668 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.492 60.772 -28.470 1.00 0.00 H new ATOM 280 N MET A 18 39.178 57.483 -25.335 1.00 0.00 N ATOM 281 CA MET A 18 39.782 56.795 -24.184 1.00 0.00 C ATOM 282 C MET A 18 40.631 57.743 -23.332 1.00 0.00 C ATOM 283 O MET A 18 41.573 58.368 -23.819 1.00 0.00 O ATOM 284 CB MET A 18 40.620 55.589 -24.646 1.00 0.00 C ATOM 285 CG MET A 18 39.706 54.467 -25.151 1.00 0.00 C ATOM 286 SD MET A 18 40.047 52.809 -24.499 1.00 0.00 S ATOM 287 CE MET A 18 41.344 52.291 -25.641 1.00 0.00 C ATOM 0 H MET A 18 39.664 57.306 -26.214 1.00 0.00 H new ATOM 0 HA MET A 18 38.965 56.435 -23.559 1.00 0.00 H new ATOM 0 HB2 MET A 18 41.303 55.895 -25.438 1.00 0.00 H new ATOM 0 HB3 MET A 18 41.232 55.225 -23.820 1.00 0.00 H new ATOM 0 HG2 MET A 18 38.676 54.727 -24.907 1.00 0.00 H new ATOM 0 HG3 MET A 18 39.776 54.430 -26.238 1.00 0.00 H new ATOM 0 HE1 MET A 18 41.832 51.396 -25.255 1.00 0.00 H new ATOM 0 HE2 MET A 18 40.906 52.074 -26.615 1.00 0.00 H new ATOM 0 HE3 MET A 18 42.079 53.090 -25.743 1.00 0.00 H new ATOM 297 N THR A 19 40.307 57.831 -22.041 1.00 0.00 N ATOM 298 CA THR A 19 41.072 58.592 -21.040 1.00 0.00 C ATOM 299 C THR A 19 42.344 57.850 -20.608 1.00 0.00 C ATOM 300 O THR A 19 42.588 56.706 -21.004 1.00 0.00 O ATOM 301 CB THR A 19 40.203 58.898 -19.809 1.00 0.00 C ATOM 302 OG1 THR A 19 39.856 57.697 -19.158 1.00 0.00 O ATOM 303 CG2 THR A 19 38.920 59.644 -20.183 1.00 0.00 C ATOM 0 H THR A 19 39.488 57.366 -21.649 1.00 0.00 H new ATOM 0 HA THR A 19 41.371 59.529 -21.510 1.00 0.00 H new ATOM 0 HB THR A 19 40.791 59.536 -19.149 1.00 0.00 H new ATOM 0 HG1 THR A 19 39.563 57.038 -19.822 1.00 0.00 H new ATOM 0 HG21 THR A 19 38.337 59.839 -19.283 1.00 0.00 H new ATOM 0 HG22 THR A 19 39.175 60.589 -20.662 1.00 0.00 H new ATOM 0 HG23 THR A 19 38.333 59.036 -20.871 1.00 0.00 H new ATOM 311 N GLU A 20 43.167 58.481 -19.762 1.00 0.00 N ATOM 312 CA GLU A 20 44.354 57.830 -19.184 1.00 0.00 C ATOM 313 C GLU A 20 43.974 56.571 -18.389 1.00 0.00 C ATOM 314 O GLU A 20 44.639 55.548 -18.523 1.00 0.00 O ATOM 315 CB GLU A 20 45.145 58.838 -18.323 1.00 0.00 C ATOM 316 CG GLU A 20 46.674 58.711 -18.460 1.00 0.00 C ATOM 317 CD GLU A 20 47.368 58.226 -17.172 1.00 0.00 C ATOM 318 OE1 GLU A 20 47.442 59.002 -16.188 1.00 0.00 O ATOM 319 OE2 GLU A 20 47.896 57.087 -17.167 1.00 0.00 O ATOM 0 H GLU A 20 43.034 59.446 -19.460 1.00 0.00 H new ATOM 0 HA GLU A 20 45.000 57.501 -19.998 1.00 0.00 H new ATOM 0 HB2 GLU A 20 44.848 59.849 -18.600 1.00 0.00 H new ATOM 0 HB3 GLU A 20 44.871 58.701 -17.277 1.00 0.00 H new ATOM 0 HG2 GLU A 20 46.902 58.018 -19.269 1.00 0.00 H new ATOM 0 HG3 GLU A 20 47.087 59.679 -18.744 1.00 0.00 H new ATOM 326 N ALA A 21 42.852 56.609 -17.657 1.00 0.00 N ATOM 327 CA ALA A 21 42.292 55.464 -16.934 1.00 0.00 C ATOM 328 C ALA A 21 41.878 54.306 -17.860 1.00 0.00 C ATOM 329 O ALA A 21 42.123 53.141 -17.538 1.00 0.00 O ATOM 330 CB ALA A 21 41.104 55.948 -16.096 1.00 0.00 C ATOM 0 H ALA A 21 42.297 57.458 -17.550 1.00 0.00 H new ATOM 0 HA ALA A 21 43.071 55.058 -16.289 1.00 0.00 H new ATOM 0 HB1 ALA A 21 40.676 55.106 -15.551 1.00 0.00 H new ATOM 0 HB2 ALA A 21 41.442 56.704 -15.388 1.00 0.00 H new ATOM 0 HB3 ALA A 21 40.347 56.378 -16.752 1.00 0.00 H new ATOM 336 N CYS A 22 41.299 54.601 -19.029 1.00 0.00 N ATOM 337 CA CYS A 22 40.991 53.581 -20.035 1.00 0.00 C ATOM 338 C CYS A 22 42.265 52.908 -20.578 1.00 0.00 C ATOM 339 O CYS A 22 42.294 51.685 -20.738 1.00 0.00 O ATOM 340 CB CYS A 22 40.176 54.202 -21.173 1.00 0.00 C ATOM 341 SG CYS A 22 38.583 54.835 -20.574 1.00 0.00 S ATOM 0 H CYS A 22 41.033 55.547 -19.302 1.00 0.00 H new ATOM 0 HA CYS A 22 40.399 52.802 -19.555 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.744 55.013 -21.629 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.005 53.456 -21.950 1.00 0.00 H new ATOM 0 HG CYS A 22 37.922 55.355 -21.565 1.00 0.00 H new ATOM 347 N LEU A 23 43.346 53.672 -20.797 1.00 0.00 N ATOM 348 CA LEU A 23 44.646 53.093 -21.147 1.00 0.00 C ATOM 349 C LEU A 23 45.271 52.321 -19.974 1.00 0.00 C ATOM 350 O LEU A 23 45.822 51.248 -20.200 1.00 0.00 O ATOM 351 CB LEU A 23 45.607 54.174 -21.675 1.00 0.00 C ATOM 352 CG LEU A 23 46.796 53.554 -22.437 1.00 0.00 C ATOM 353 CD1 LEU A 23 46.367 53.000 -23.794 1.00 0.00 C ATOM 354 CD2 LEU A 23 47.900 54.586 -22.646 1.00 0.00 C ATOM 0 H LEU A 23 43.343 54.690 -20.737 1.00 0.00 H new ATOM 0 HA LEU A 23 44.472 52.372 -21.946 1.00 0.00 H new ATOM 0 HB2 LEU A 23 45.065 54.852 -22.334 1.00 0.00 H new ATOM 0 HB3 LEU A 23 45.979 54.769 -20.841 1.00 0.00 H new ATOM 0 HG LEU A 23 47.173 52.733 -21.827 1.00 0.00 H new ATOM 0 HD11 LEU A 23 47.231 52.571 -24.302 1.00 0.00 H new ATOM 0 HD12 LEU A 23 45.611 52.228 -23.649 1.00 0.00 H new ATOM 0 HD13 LEU A 23 45.952 53.805 -24.401 1.00 0.00 H new ATOM 0 HD21 LEU A 23 48.729 54.128 -23.185 1.00 0.00 H new ATOM 0 HD22 LEU A 23 47.510 55.424 -23.224 1.00 0.00 H new ATOM 0 HD23 LEU A 23 48.251 54.945 -21.678 1.00 0.00 H new ATOM 366 N ASN A 24 45.152 52.796 -18.727 1.00 0.00 N ATOM 367 CA ASN A 24 45.605 52.052 -17.544 1.00 0.00 C ATOM 368 C ASN A 24 44.911 50.681 -17.453 1.00 0.00 C ATOM 369 O ASN A 24 45.584 49.685 -17.211 1.00 0.00 O ATOM 370 CB ASN A 24 45.389 52.847 -16.237 1.00 0.00 C ATOM 371 CG ASN A 24 46.098 54.191 -16.124 1.00 0.00 C ATOM 372 OD1 ASN A 24 45.519 55.177 -15.692 1.00 0.00 O ATOM 373 ND2 ASN A 24 47.371 54.290 -16.436 1.00 0.00 N ATOM 0 H ASN A 24 44.740 53.704 -18.510 1.00 0.00 H new ATOM 0 HA ASN A 24 46.677 51.897 -17.663 1.00 0.00 H new ATOM 0 HB2 ASN A 24 44.319 53.016 -16.115 1.00 0.00 H new ATOM 0 HB3 ASN A 24 45.710 52.223 -15.403 1.00 0.00 H new ATOM 0 HD21 ASN A 24 47.858 55.178 -16.316 1.00 0.00 H new ATOM 0 HD22 ASN A 24 47.872 53.479 -16.798 1.00 0.00 H new ATOM 380 N GLN A 25 43.601 50.596 -17.716 1.00 0.00 N ATOM 381 CA GLN A 25 42.877 49.319 -17.810 1.00 0.00 C ATOM 382 C GLN A 25 43.362 48.422 -18.964 1.00 0.00 C ATOM 383 O GLN A 25 43.321 47.195 -18.842 1.00 0.00 O ATOM 384 CB GLN A 25 41.368 49.574 -17.965 1.00 0.00 C ATOM 385 CG GLN A 25 40.637 49.896 -16.650 1.00 0.00 C ATOM 386 CD GLN A 25 39.506 48.894 -16.397 1.00 0.00 C ATOM 387 OE1 GLN A 25 39.603 47.997 -15.570 1.00 0.00 O ATOM 388 NE2 GLN A 25 38.419 48.973 -17.138 1.00 0.00 N ATOM 0 H GLN A 25 43.010 51.413 -17.870 1.00 0.00 H new ATOM 0 HA GLN A 25 43.082 48.786 -16.882 1.00 0.00 H new ATOM 0 HB2 GLN A 25 41.222 50.401 -18.659 1.00 0.00 H new ATOM 0 HB3 GLN A 25 40.908 48.695 -18.416 1.00 0.00 H new ATOM 0 HG2 GLN A 25 41.344 49.871 -15.820 1.00 0.00 H new ATOM 0 HG3 GLN A 25 40.231 50.907 -16.692 1.00 0.00 H new ATOM 0 HE21 GLN A 25 38.327 49.716 -17.831 1.00 0.00 H new ATOM 0 HE22 GLN A 25 37.670 48.291 -17.019 1.00 0.00 H new ATOM 397 N SER A 26 43.796 48.994 -20.091 1.00 0.00 N ATOM 398 CA SER A 26 44.402 48.232 -21.195 1.00 0.00 C ATOM 399 C SER A 26 45.762 47.662 -20.778 1.00 0.00 C ATOM 400 O SER A 26 45.971 46.450 -20.811 1.00 0.00 O ATOM 401 CB SER A 26 44.540 49.119 -22.439 1.00 0.00 C ATOM 402 OG SER A 26 44.879 48.321 -23.555 1.00 0.00 O ATOM 0 H SER A 26 43.739 49.997 -20.267 1.00 0.00 H new ATOM 0 HA SER A 26 43.748 47.395 -21.439 1.00 0.00 H new ATOM 0 HB2 SER A 26 43.605 49.647 -22.627 1.00 0.00 H new ATOM 0 HB3 SER A 26 45.306 49.877 -22.275 1.00 0.00 H new ATOM 0 HG SER A 26 44.965 48.889 -24.349 1.00 0.00 H new ATOM 408 N LEU A 27 46.652 48.526 -20.286 1.00 0.00 N ATOM 409 CA LEU A 27 48.001 48.195 -19.824 1.00 0.00 C ATOM 410 C LEU A 27 48.003 47.205 -18.648 1.00 0.00 C ATOM 411 O LEU A 27 48.810 46.281 -18.638 1.00 0.00 O ATOM 412 CB LEU A 27 48.717 49.502 -19.443 1.00 0.00 C ATOM 413 CG LEU A 27 49.005 50.439 -20.630 1.00 0.00 C ATOM 414 CD1 LEU A 27 49.386 51.820 -20.097 1.00 0.00 C ATOM 415 CD2 LEU A 27 50.140 49.917 -21.514 1.00 0.00 C ATOM 0 H LEU A 27 46.442 49.520 -20.195 1.00 0.00 H new ATOM 0 HA LEU A 27 48.530 47.693 -20.634 1.00 0.00 H new ATOM 0 HB2 LEU A 27 48.108 50.036 -18.714 1.00 0.00 H new ATOM 0 HB3 LEU A 27 49.659 49.256 -18.953 1.00 0.00 H new ATOM 0 HG LEU A 27 48.102 50.491 -21.239 1.00 0.00 H new ATOM 0 HD11 LEU A 27 49.591 52.489 -20.933 1.00 0.00 H new ATOM 0 HD12 LEU A 27 48.563 52.221 -19.505 1.00 0.00 H new ATOM 0 HD13 LEU A 27 50.275 51.736 -19.472 1.00 0.00 H new ATOM 0 HD21 LEU A 27 50.308 50.610 -22.338 1.00 0.00 H new ATOM 0 HD22 LEU A 27 51.051 49.830 -20.922 1.00 0.00 H new ATOM 0 HD23 LEU A 27 49.871 48.939 -21.912 1.00 0.00 H new ATOM 427 N ASP A 28 47.097 47.352 -17.680 1.00 0.00 N ATOM 428 CA ASP A 28 46.963 46.444 -16.535 1.00 0.00 C ATOM 429 C ASP A 28 46.542 45.028 -16.963 1.00 0.00 C ATOM 430 O ASP A 28 47.146 44.047 -16.527 1.00 0.00 O ATOM 431 CB ASP A 28 45.956 47.034 -15.538 1.00 0.00 C ATOM 432 CG ASP A 28 45.805 46.161 -14.283 1.00 0.00 C ATOM 433 OD1 ASP A 28 46.701 46.203 -13.406 1.00 0.00 O ATOM 434 OD2 ASP A 28 44.778 45.452 -14.157 1.00 0.00 O ATOM 0 H ASP A 28 46.423 48.118 -17.668 1.00 0.00 H new ATOM 0 HA ASP A 28 47.939 46.348 -16.059 1.00 0.00 H new ATOM 0 HB2 ASP A 28 46.278 48.034 -15.247 1.00 0.00 H new ATOM 0 HB3 ASP A 28 44.986 47.141 -16.024 1.00 0.00 H new ATOM 439 N ALA A 29 45.562 44.911 -17.869 1.00 0.00 N ATOM 440 CA ALA A 29 45.171 43.624 -18.447 1.00 0.00 C ATOM 441 C ALA A 29 46.291 43.011 -19.305 1.00 0.00 C ATOM 442 O ALA A 29 46.565 41.816 -19.193 1.00 0.00 O ATOM 443 CB ALA A 29 43.888 43.814 -19.259 1.00 0.00 C ATOM 0 H ALA A 29 45.022 45.703 -18.219 1.00 0.00 H new ATOM 0 HA ALA A 29 44.988 42.918 -17.637 1.00 0.00 H new ATOM 0 HB1 ALA A 29 43.588 42.861 -19.694 1.00 0.00 H new ATOM 0 HB2 ALA A 29 43.095 44.180 -18.607 1.00 0.00 H new ATOM 0 HB3 ALA A 29 44.065 44.537 -20.056 1.00 0.00 H new ATOM 449 N LEU A 30 46.984 43.826 -20.110 1.00 0.00 N ATOM 450 CA LEU A 30 48.176 43.420 -20.861 1.00 0.00 C ATOM 451 C LEU A 30 49.286 42.881 -19.939 1.00 0.00 C ATOM 452 O LEU A 30 49.924 41.887 -20.284 1.00 0.00 O ATOM 453 CB LEU A 30 48.689 44.613 -21.692 1.00 0.00 C ATOM 454 CG LEU A 30 47.890 44.939 -22.967 1.00 0.00 C ATOM 455 CD1 LEU A 30 48.283 46.314 -23.508 1.00 0.00 C ATOM 456 CD2 LEU A 30 48.183 43.902 -24.049 1.00 0.00 C ATOM 0 H LEU A 30 46.727 44.802 -20.259 1.00 0.00 H new ATOM 0 HA LEU A 30 47.896 42.604 -21.527 1.00 0.00 H new ATOM 0 HB2 LEU A 30 48.696 45.498 -21.055 1.00 0.00 H new ATOM 0 HB3 LEU A 30 49.723 44.415 -21.975 1.00 0.00 H new ATOM 0 HG LEU A 30 46.831 44.930 -22.711 1.00 0.00 H new ATOM 0 HD11 LEU A 30 47.709 46.528 -24.409 1.00 0.00 H new ATOM 0 HD12 LEU A 30 48.074 47.074 -22.755 1.00 0.00 H new ATOM 0 HD13 LEU A 30 49.347 46.321 -23.746 1.00 0.00 H new ATOM 0 HD21 LEU A 30 47.613 44.142 -24.947 1.00 0.00 H new ATOM 0 HD22 LEU A 30 49.248 43.910 -24.282 1.00 0.00 H new ATOM 0 HD23 LEU A 30 47.898 42.913 -23.691 1.00 0.00 H new ATOM 468 N LEU A 31 49.500 43.487 -18.766 1.00 0.00 N ATOM 469 CA LEU A 31 50.481 43.033 -17.772 1.00 0.00 C ATOM 470 C LEU A 31 50.045 41.706 -17.120 1.00 0.00 C ATOM 471 O LEU A 31 50.822 40.751 -17.091 1.00 0.00 O ATOM 472 CB LEU A 31 50.710 44.158 -16.734 1.00 0.00 C ATOM 473 CG LEU A 31 52.133 44.308 -16.160 1.00 0.00 C ATOM 474 CD1 LEU A 31 52.613 43.082 -15.387 1.00 0.00 C ATOM 475 CD2 LEU A 31 53.164 44.639 -17.241 1.00 0.00 C ATOM 0 H LEU A 31 48.989 44.320 -18.475 1.00 0.00 H new ATOM 0 HA LEU A 31 51.431 42.826 -18.265 1.00 0.00 H new ATOM 0 HB2 LEU A 31 50.430 45.105 -17.195 1.00 0.00 H new ATOM 0 HB3 LEU A 31 50.026 43.994 -15.902 1.00 0.00 H new ATOM 0 HG LEU A 31 52.054 45.142 -15.462 1.00 0.00 H new ATOM 0 HD11 LEU A 31 53.621 43.260 -15.013 1.00 0.00 H new ATOM 0 HD12 LEU A 31 51.942 42.895 -14.548 1.00 0.00 H new ATOM 0 HD13 LEU A 31 52.619 42.215 -16.047 1.00 0.00 H new ATOM 0 HD21 LEU A 31 54.150 44.735 -16.786 1.00 0.00 H new ATOM 0 HD22 LEU A 31 53.182 43.841 -17.983 1.00 0.00 H new ATOM 0 HD23 LEU A 31 52.895 45.578 -17.725 1.00 0.00 H new ATOM 487 N SER A 32 48.785 41.596 -16.678 1.00 0.00 N ATOM 488 CA SER A 32 48.212 40.353 -16.127 1.00 0.00 C ATOM 489 C SER A 32 48.191 39.182 -17.124 1.00 0.00 C ATOM 490 O SER A 32 48.338 38.027 -16.713 1.00 0.00 O ATOM 491 CB SER A 32 46.792 40.596 -15.600 1.00 0.00 C ATOM 492 OG SER A 32 46.844 41.319 -14.377 1.00 0.00 O ATOM 0 H SER A 32 48.125 42.374 -16.692 1.00 0.00 H new ATOM 0 HA SER A 32 48.875 40.065 -15.311 1.00 0.00 H new ATOM 0 HB2 SER A 32 46.212 41.152 -16.336 1.00 0.00 H new ATOM 0 HB3 SER A 32 46.284 39.644 -15.448 1.00 0.00 H new ATOM 0 HG SER A 32 45.933 41.471 -14.048 1.00 0.00 H new ATOM 498 N ARG A 33 48.059 39.459 -18.430 1.00 0.00 N ATOM 499 CA ARG A 33 48.143 38.469 -19.524 1.00 0.00 C ATOM 500 C ARG A 33 49.584 38.227 -20.023 1.00 0.00 C ATOM 501 O ARG A 33 49.795 37.398 -20.907 1.00 0.00 O ATOM 502 CB ARG A 33 47.218 38.924 -20.675 1.00 0.00 C ATOM 503 CG ARG A 33 46.715 37.759 -21.549 1.00 0.00 C ATOM 504 CD ARG A 33 46.293 38.217 -22.952 1.00 0.00 C ATOM 505 NE ARG A 33 45.068 39.043 -22.946 1.00 0.00 N ATOM 506 CZ ARG A 33 43.827 38.618 -23.110 1.00 0.00 C ATOM 507 NH1 ARG A 33 43.529 37.351 -23.192 1.00 0.00 N ATOM 508 NH2 ARG A 33 42.846 39.468 -23.200 1.00 0.00 N ATOM 0 H ARG A 33 47.886 40.406 -18.768 1.00 0.00 H new ATOM 0 HA ARG A 33 47.812 37.507 -19.133 1.00 0.00 H new ATOM 0 HB2 ARG A 33 46.361 39.451 -20.256 1.00 0.00 H new ATOM 0 HB3 ARG A 33 47.754 39.635 -21.303 1.00 0.00 H new ATOM 0 HG2 ARG A 33 47.501 37.009 -21.636 1.00 0.00 H new ATOM 0 HG3 ARG A 33 45.869 37.279 -21.057 1.00 0.00 H new ATOM 0 HD2 ARG A 33 47.106 38.786 -23.402 1.00 0.00 H new ATOM 0 HD3 ARG A 33 46.131 37.341 -23.581 1.00 0.00 H new ATOM 0 HE ARG A 33 45.193 40.045 -22.800 1.00 0.00 H new ATOM 0 HH11 ARG A 33 44.266 36.649 -23.130 1.00 0.00 H new ATOM 0 HH12 ARG A 33 42.559 37.062 -23.319 1.00 0.00 H new ATOM 0 HH21 ARG A 33 43.032 40.469 -23.144 1.00 0.00 H new ATOM 0 HH22 ARG A 33 41.891 39.133 -23.327 1.00 0.00 H new ATOM 522 N ASP A 34 50.578 38.938 -19.483 1.00 0.00 N ATOM 523 CA ASP A 34 51.979 38.956 -19.947 1.00 0.00 C ATOM 524 C ASP A 34 52.134 39.245 -21.465 1.00 0.00 C ATOM 525 O ASP A 34 53.035 38.736 -22.137 1.00 0.00 O ATOM 526 CB ASP A 34 52.693 37.680 -19.458 1.00 0.00 C ATOM 527 CG ASP A 34 54.223 37.725 -19.626 1.00 0.00 C ATOM 528 OD1 ASP A 34 54.852 38.745 -19.253 1.00 0.00 O ATOM 529 OD2 ASP A 34 54.814 36.712 -20.076 1.00 0.00 O ATOM 0 H ASP A 34 50.428 39.544 -18.676 1.00 0.00 H new ATOM 0 HA ASP A 34 52.484 39.810 -19.495 1.00 0.00 H new ATOM 0 HB2 ASP A 34 52.456 37.522 -18.406 1.00 0.00 H new ATOM 0 HB3 ASP A 34 52.301 36.822 -20.005 1.00 0.00 H new ATOM 534 N LEU A 35 51.231 40.068 -22.016 1.00 0.00 N ATOM 535 CA LEU A 35 51.181 40.483 -23.427 1.00 0.00 C ATOM 536 C LEU A 35 51.904 41.831 -23.677 1.00 0.00 C ATOM 537 O LEU A 35 52.125 42.203 -24.828 1.00 0.00 O ATOM 538 CB LEU A 35 49.698 40.456 -23.867 1.00 0.00 C ATOM 539 CG LEU A 35 49.392 40.778 -25.347 1.00 0.00 C ATOM 540 CD1 LEU A 35 50.175 39.916 -26.339 1.00 0.00 C ATOM 541 CD2 LEU A 35 47.905 40.558 -25.648 1.00 0.00 C ATOM 0 H LEU A 35 50.480 40.483 -21.465 1.00 0.00 H new ATOM 0 HA LEU A 35 51.740 39.787 -24.053 1.00 0.00 H new ATOM 0 HB2 LEU A 35 49.299 39.466 -23.648 1.00 0.00 H new ATOM 0 HB3 LEU A 35 49.149 41.165 -23.247 1.00 0.00 H new ATOM 0 HG LEU A 35 49.688 41.819 -25.476 1.00 0.00 H new ATOM 0 HD11 LEU A 35 49.908 40.199 -27.357 1.00 0.00 H new ATOM 0 HD12 LEU A 35 51.244 40.068 -26.189 1.00 0.00 H new ATOM 0 HD13 LEU A 35 49.932 38.866 -26.179 1.00 0.00 H new ATOM 0 HD21 LEU A 35 47.708 40.790 -26.695 1.00 0.00 H new ATOM 0 HD22 LEU A 35 47.644 39.518 -25.451 1.00 0.00 H new ATOM 0 HD23 LEU A 35 47.305 41.210 -25.013 1.00 0.00 H new ATOM 553 N ILE A 36 52.357 42.520 -22.619 1.00 0.00 N ATOM 554 CA ILE A 36 53.294 43.661 -22.678 1.00 0.00 C ATOM 555 C ILE A 36 54.481 43.425 -21.726 1.00 0.00 C ATOM 556 O ILE A 36 54.305 42.947 -20.602 1.00 0.00 O ATOM 557 CB ILE A 36 52.557 44.999 -22.396 1.00 0.00 C ATOM 558 CG1 ILE A 36 53.395 46.207 -22.871 1.00 0.00 C ATOM 559 CG2 ILE A 36 52.154 45.155 -20.917 1.00 0.00 C ATOM 560 CD1 ILE A 36 52.712 47.568 -22.675 1.00 0.00 C ATOM 0 H ILE A 36 52.074 42.294 -21.665 1.00 0.00 H new ATOM 0 HA ILE A 36 53.700 43.738 -23.687 1.00 0.00 H new ATOM 0 HB ILE A 36 51.632 44.972 -22.972 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.344 46.209 -22.334 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.627 46.079 -23.928 1.00 0.00 H new ATOM 0 HG21 ILE A 36 51.643 46.108 -20.778 1.00 0.00 H new ATOM 0 HG22 ILE A 36 51.487 44.341 -20.634 1.00 0.00 H new ATOM 0 HG23 ILE A 36 53.046 45.127 -20.292 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.369 48.360 -23.035 1.00 0.00 H new ATOM 0 HD12 ILE A 36 51.777 47.590 -23.235 1.00 0.00 H new ATOM 0 HD13 ILE A 36 52.504 47.722 -21.616 1.00 0.00 H new ATOM 572 N MET A 37 55.698 43.751 -22.172 1.00 0.00 N ATOM 573 CA MET A 37 56.904 43.758 -21.328 1.00 0.00 C ATOM 574 C MET A 37 56.967 45.020 -20.456 1.00 0.00 C ATOM 575 O MET A 37 56.543 46.097 -20.880 1.00 0.00 O ATOM 576 CB MET A 37 58.156 43.680 -22.221 1.00 0.00 C ATOM 577 CG MET A 37 58.417 42.252 -22.727 1.00 0.00 C ATOM 578 SD MET A 37 58.505 42.044 -24.529 1.00 0.00 S ATOM 579 CE MET A 37 59.986 43.024 -24.907 1.00 0.00 C ATOM 0 H MET A 37 55.879 44.021 -23.139 1.00 0.00 H new ATOM 0 HA MET A 37 56.865 42.892 -20.667 1.00 0.00 H new ATOM 0 HB2 MET A 37 58.036 44.350 -23.073 1.00 0.00 H new ATOM 0 HB3 MET A 37 59.023 44.030 -21.661 1.00 0.00 H new ATOM 0 HG2 MET A 37 59.355 41.902 -22.295 1.00 0.00 H new ATOM 0 HG3 MET A 37 57.628 41.604 -22.345 1.00 0.00 H new ATOM 0 HE1 MET A 37 60.176 42.997 -25.980 1.00 0.00 H new ATOM 0 HE2 MET A 37 59.830 44.056 -24.592 1.00 0.00 H new ATOM 0 HE3 MET A 37 60.842 42.609 -24.376 1.00 0.00 H new ATOM 589 N LYS A 38 57.569 44.920 -19.261 1.00 0.00 N ATOM 590 CA LYS A 38 57.776 46.063 -18.349 1.00 0.00 C ATOM 591 C LYS A 38 58.611 47.193 -18.976 1.00 0.00 C ATOM 592 O LYS A 38 58.366 48.365 -18.699 1.00 0.00 O ATOM 593 CB LYS A 38 58.372 45.555 -17.022 1.00 0.00 C ATOM 594 CG LYS A 38 58.552 46.621 -15.925 1.00 0.00 C ATOM 595 CD LYS A 38 57.259 47.380 -15.569 1.00 0.00 C ATOM 596 CE LYS A 38 57.452 48.335 -14.382 1.00 0.00 C ATOM 597 NZ LYS A 38 57.500 47.621 -13.078 1.00 0.00 N ATOM 0 H LYS A 38 57.930 44.039 -18.895 1.00 0.00 H new ATOM 0 HA LYS A 38 56.806 46.517 -18.148 1.00 0.00 H new ATOM 0 HB2 LYS A 38 57.729 44.765 -16.634 1.00 0.00 H new ATOM 0 HB3 LYS A 38 59.343 45.104 -17.229 1.00 0.00 H new ATOM 0 HG2 LYS A 38 58.938 46.141 -15.026 1.00 0.00 H new ATOM 0 HG3 LYS A 38 59.304 47.339 -16.251 1.00 0.00 H new ATOM 0 HD2 LYS A 38 56.922 47.946 -16.437 1.00 0.00 H new ATOM 0 HD3 LYS A 38 56.473 46.663 -15.332 1.00 0.00 H new ATOM 0 HE2 LYS A 38 58.376 48.897 -14.519 1.00 0.00 H new ATOM 0 HE3 LYS A 38 56.637 49.059 -14.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 57.631 48.310 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 56.609 47.105 -12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 58.293 46.948 -13.079 1.00 0.00 H new ATOM 611 N GLU A 39 59.537 46.848 -19.872 1.00 0.00 N ATOM 612 CA GLU A 39 60.297 47.796 -20.703 1.00 0.00 C ATOM 613 C GLU A 39 59.370 48.715 -21.521 1.00 0.00 C ATOM 614 O GLU A 39 59.477 49.940 -21.445 1.00 0.00 O ATOM 615 CB GLU A 39 61.215 47.007 -21.657 1.00 0.00 C ATOM 616 CG GLU A 39 62.396 46.309 -20.963 1.00 0.00 C ATOM 617 CD GLU A 39 63.633 47.226 -20.883 1.00 0.00 C ATOM 618 OE1 GLU A 39 63.710 48.074 -19.961 1.00 0.00 O ATOM 619 OE2 GLU A 39 64.542 47.100 -21.741 1.00 0.00 O ATOM 0 H GLU A 39 59.789 45.876 -20.048 1.00 0.00 H new ATOM 0 HA GLU A 39 60.888 48.429 -20.041 1.00 0.00 H new ATOM 0 HB2 GLU A 39 60.620 46.257 -22.178 1.00 0.00 H new ATOM 0 HB3 GLU A 39 61.604 47.688 -22.414 1.00 0.00 H new ATOM 0 HG2 GLU A 39 62.101 46.007 -19.958 1.00 0.00 H new ATOM 0 HG3 GLU A 39 62.652 45.399 -21.507 1.00 0.00 H new ATOM 626 N ASP A 40 58.418 48.138 -22.263 1.00 0.00 N ATOM 627 CA ASP A 40 57.426 48.895 -23.036 1.00 0.00 C ATOM 628 C ASP A 40 56.394 49.588 -22.134 1.00 0.00 C ATOM 629 O ASP A 40 56.021 50.728 -22.396 1.00 0.00 O ATOM 630 CB ASP A 40 56.724 47.973 -24.043 1.00 0.00 C ATOM 631 CG ASP A 40 57.666 47.562 -25.185 1.00 0.00 C ATOM 632 OD1 ASP A 40 58.087 48.444 -25.971 1.00 0.00 O ATOM 633 OD2 ASP A 40 57.981 46.354 -25.304 1.00 0.00 O ATOM 0 H ASP A 40 58.313 47.127 -22.345 1.00 0.00 H new ATOM 0 HA ASP A 40 57.960 49.678 -23.575 1.00 0.00 H new ATOM 0 HB2 ASP A 40 56.362 47.082 -23.530 1.00 0.00 H new ATOM 0 HB3 ASP A 40 55.852 48.480 -24.455 1.00 0.00 H new ATOM 638 N TYR A 41 55.971 48.944 -21.043 1.00 0.00 N ATOM 639 CA TYR A 41 55.047 49.513 -20.055 1.00 0.00 C ATOM 640 C TYR A 41 55.582 50.825 -19.446 1.00 0.00 C ATOM 641 O TYR A 41 54.863 51.821 -19.391 1.00 0.00 O ATOM 642 CB TYR A 41 54.791 48.448 -18.981 1.00 0.00 C ATOM 643 CG TYR A 41 53.691 48.741 -17.980 1.00 0.00 C ATOM 644 CD1 TYR A 41 53.963 49.514 -16.832 1.00 0.00 C ATOM 645 CD2 TYR A 41 52.418 48.162 -18.148 1.00 0.00 C ATOM 646 CE1 TYR A 41 52.967 49.704 -15.854 1.00 0.00 C ATOM 647 CE2 TYR A 41 51.432 48.326 -17.157 1.00 0.00 C ATOM 648 CZ TYR A 41 51.698 49.104 -16.012 1.00 0.00 C ATOM 649 OH TYR A 41 50.731 49.261 -15.067 1.00 0.00 O ATOM 0 H TYR A 41 56.266 47.994 -20.816 1.00 0.00 H new ATOM 0 HA TYR A 41 54.110 49.781 -20.543 1.00 0.00 H new ATOM 0 HB2 TYR A 41 54.554 47.510 -19.482 1.00 0.00 H new ATOM 0 HB3 TYR A 41 55.719 48.290 -18.431 1.00 0.00 H new ATOM 0 HD1 TYR A 41 54.937 49.961 -16.702 1.00 0.00 H new ATOM 0 HD2 TYR A 41 52.198 47.592 -19.038 1.00 0.00 H new ATOM 0 HE1 TYR A 41 53.174 50.309 -14.983 1.00 0.00 H new ATOM 0 HE2 TYR A 41 50.468 47.854 -17.274 1.00 0.00 H new ATOM 0 HH TYR A 41 49.923 48.780 -15.343 1.00 0.00 H new ATOM 659 N GLU A 42 56.858 50.874 -19.044 1.00 0.00 N ATOM 660 CA GLU A 42 57.488 52.109 -18.549 1.00 0.00 C ATOM 661 C GLU A 42 57.770 53.141 -19.655 1.00 0.00 C ATOM 662 O GLU A 42 57.646 54.340 -19.402 1.00 0.00 O ATOM 663 CB GLU A 42 58.772 51.792 -17.767 1.00 0.00 C ATOM 664 CG GLU A 42 58.469 51.208 -16.375 1.00 0.00 C ATOM 665 CD GLU A 42 59.109 52.050 -15.253 1.00 0.00 C ATOM 666 OE1 GLU A 42 58.569 53.134 -14.920 1.00 0.00 O ATOM 667 OE2 GLU A 42 60.147 51.630 -14.686 1.00 0.00 O ATOM 0 H GLU A 42 57.481 50.066 -19.051 1.00 0.00 H new ATOM 0 HA GLU A 42 56.762 52.569 -17.878 1.00 0.00 H new ATOM 0 HB2 GLU A 42 59.376 51.084 -18.334 1.00 0.00 H new ATOM 0 HB3 GLU A 42 59.364 52.701 -17.658 1.00 0.00 H new ATOM 0 HG2 GLU A 42 57.390 51.163 -16.226 1.00 0.00 H new ATOM 0 HG3 GLU A 42 58.842 50.185 -16.320 1.00 0.00 H new ATOM 674 N LEU A 43 58.068 52.716 -20.891 1.00 0.00 N ATOM 675 CA LEU A 43 58.126 53.623 -22.049 1.00 0.00 C ATOM 676 C LEU A 43 56.759 54.271 -22.350 1.00 0.00 C ATOM 677 O LEU A 43 56.704 55.440 -22.732 1.00 0.00 O ATOM 678 CB LEU A 43 58.682 52.884 -23.282 1.00 0.00 C ATOM 679 CG LEU A 43 60.210 52.675 -23.249 1.00 0.00 C ATOM 680 CD1 LEU A 43 60.628 51.686 -24.339 1.00 0.00 C ATOM 681 CD2 LEU A 43 60.971 53.982 -23.493 1.00 0.00 C ATOM 0 H LEU A 43 58.274 51.743 -21.117 1.00 0.00 H new ATOM 0 HA LEU A 43 58.806 54.437 -21.798 1.00 0.00 H new ATOM 0 HB2 LEU A 43 58.194 51.913 -23.362 1.00 0.00 H new ATOM 0 HB3 LEU A 43 58.421 53.446 -24.179 1.00 0.00 H new ATOM 0 HG LEU A 43 60.455 52.295 -22.257 1.00 0.00 H new ATOM 0 HD11 LEU A 43 61.708 51.545 -24.308 1.00 0.00 H new ATOM 0 HD12 LEU A 43 60.132 50.730 -24.172 1.00 0.00 H new ATOM 0 HD13 LEU A 43 60.341 52.078 -25.315 1.00 0.00 H new ATOM 0 HD21 LEU A 43 62.043 53.790 -23.461 1.00 0.00 H new ATOM 0 HD22 LEU A 43 60.703 54.382 -24.471 1.00 0.00 H new ATOM 0 HD23 LEU A 43 60.709 54.705 -22.721 1.00 0.00 H new ATOM 693 N VAL A 44 55.649 53.562 -22.124 1.00 0.00 N ATOM 694 CA VAL A 44 54.288 54.127 -22.174 1.00 0.00 C ATOM 695 C VAL A 44 54.010 55.076 -20.994 1.00 0.00 C ATOM 696 O VAL A 44 53.243 56.020 -21.155 1.00 0.00 O ATOM 697 CB VAL A 44 53.230 53.004 -22.284 1.00 0.00 C ATOM 698 CG1 VAL A 44 51.798 53.544 -22.215 1.00 0.00 C ATOM 699 CG2 VAL A 44 53.338 52.250 -23.620 1.00 0.00 C ATOM 0 H VAL A 44 55.665 52.567 -21.898 1.00 0.00 H new ATOM 0 HA VAL A 44 54.216 54.736 -23.075 1.00 0.00 H new ATOM 0 HB VAL A 44 53.432 52.344 -21.440 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.093 52.717 -22.297 1.00 0.00 H new ATOM 0 HG12 VAL A 44 51.648 54.056 -21.265 1.00 0.00 H new ATOM 0 HG13 VAL A 44 51.633 54.244 -23.034 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.578 51.469 -23.660 1.00 0.00 H new ATOM 0 HG22 VAL A 44 53.186 52.947 -24.444 1.00 0.00 H new ATOM 0 HG23 VAL A 44 54.327 51.799 -23.704 1.00 0.00 H new ATOM 709 N SER A 45 54.659 54.910 -19.836 1.00 0.00 N ATOM 710 CA SER A 45 54.423 55.730 -18.627 1.00 0.00 C ATOM 711 C SER A 45 55.363 56.937 -18.446 1.00 0.00 C ATOM 712 O SER A 45 55.195 57.694 -17.487 1.00 0.00 O ATOM 713 CB SER A 45 54.447 54.845 -17.374 1.00 0.00 C ATOM 714 OG SER A 45 53.318 53.983 -17.376 1.00 0.00 O ATOM 0 H SER A 45 55.374 54.195 -19.703 1.00 0.00 H new ATOM 0 HA SER A 45 53.435 56.167 -18.774 1.00 0.00 H new ATOM 0 HB2 SER A 45 55.365 54.258 -17.349 1.00 0.00 H new ATOM 0 HB3 SER A 45 54.441 55.466 -16.478 1.00 0.00 H new ATOM 0 HG SER A 45 53.337 53.418 -16.576 1.00 0.00 H new ATOM 720 N THR A 46 56.316 57.174 -19.357 1.00 0.00 N ATOM 721 CA THR A 46 57.244 58.332 -19.310 1.00 0.00 C ATOM 722 C THR A 46 56.790 59.521 -20.185 1.00 0.00 C ATOM 723 O THR A 46 57.428 60.578 -20.207 1.00 0.00 O ATOM 724 CB THR A 46 58.686 57.867 -19.611 1.00 0.00 C ATOM 725 OG1 THR A 46 59.637 58.855 -19.271 1.00 0.00 O ATOM 726 CG2 THR A 46 58.924 57.463 -21.066 1.00 0.00 C ATOM 0 H THR A 46 56.473 56.565 -20.160 1.00 0.00 H new ATOM 0 HA THR A 46 57.225 58.730 -18.295 1.00 0.00 H new ATOM 0 HB THR A 46 58.812 56.981 -18.989 1.00 0.00 H new ATOM 0 HG1 THR A 46 59.283 59.741 -19.497 1.00 0.00 H new ATOM 0 HG21 THR A 46 59.960 57.150 -21.192 1.00 0.00 H new ATOM 0 HG22 THR A 46 58.261 56.638 -21.328 1.00 0.00 H new ATOM 0 HG23 THR A 46 58.720 58.313 -21.718 1.00 0.00 H new ATOM 734 N LYS A 47 55.670 59.385 -20.914 1.00 0.00 N ATOM 735 CA LYS A 47 55.151 60.415 -21.838 1.00 0.00 C ATOM 736 C LYS A 47 54.563 61.634 -21.090 1.00 0.00 C ATOM 737 O LYS A 47 53.956 61.453 -20.030 1.00 0.00 O ATOM 738 CB LYS A 47 54.096 59.798 -22.778 1.00 0.00 C ATOM 739 CG LYS A 47 54.520 58.484 -23.470 1.00 0.00 C ATOM 740 CD LYS A 47 55.888 58.518 -24.166 1.00 0.00 C ATOM 741 CE LYS A 47 55.950 59.571 -25.281 1.00 0.00 C ATOM 742 NZ LYS A 47 57.349 59.818 -25.718 1.00 0.00 N ATOM 0 H LYS A 47 55.090 58.547 -20.880 1.00 0.00 H new ATOM 0 HA LYS A 47 55.993 60.779 -22.427 1.00 0.00 H new ATOM 0 HB2 LYS A 47 53.187 59.612 -22.206 1.00 0.00 H new ATOM 0 HB3 LYS A 47 53.845 60.530 -23.546 1.00 0.00 H new ATOM 0 HG2 LYS A 47 54.530 57.688 -22.726 1.00 0.00 H new ATOM 0 HG3 LYS A 47 53.762 58.221 -24.208 1.00 0.00 H new ATOM 0 HD2 LYS A 47 56.663 58.727 -23.429 1.00 0.00 H new ATOM 0 HD3 LYS A 47 56.104 57.535 -24.585 1.00 0.00 H new ATOM 0 HE2 LYS A 47 55.355 59.238 -26.131 1.00 0.00 H new ATOM 0 HE3 LYS A 47 55.508 60.503 -24.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 57.356 60.534 -26.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 57.910 60.159 -24.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 57.762 58.934 -26.077 1.00 0.00 H new ATOM 756 N PRO A 48 54.683 62.865 -21.635 1.00 0.00 N ATOM 757 CA PRO A 48 54.200 64.089 -20.983 1.00 0.00 C ATOM 758 C PRO A 48 52.679 64.315 -21.097 1.00 0.00 C ATOM 759 O PRO A 48 52.135 65.155 -20.377 1.00 0.00 O ATOM 760 CB PRO A 48 54.976 65.225 -21.658 1.00 0.00 C ATOM 761 CG PRO A 48 55.191 64.702 -23.077 1.00 0.00 C ATOM 762 CD PRO A 48 55.405 63.205 -22.857 1.00 0.00 C ATOM 0 HA PRO A 48 54.370 64.028 -19.908 1.00 0.00 H new ATOM 0 HB2 PRO A 48 54.411 66.157 -21.653 1.00 0.00 H new ATOM 0 HB3 PRO A 48 55.922 65.423 -21.154 1.00 0.00 H new ATOM 0 HG2 PRO A 48 54.329 64.898 -23.715 1.00 0.00 H new ATOM 0 HG3 PRO A 48 56.053 65.168 -23.554 1.00 0.00 H new ATOM 0 HD2 PRO A 48 55.030 62.630 -23.703 1.00 0.00 H new ATOM 0 HD3 PRO A 48 56.466 62.974 -22.759 1.00 0.00 H new ATOM 770 N THR A 49 51.982 63.581 -21.973 1.00 0.00 N ATOM 771 CA THR A 49 50.530 63.699 -22.218 1.00 0.00 C ATOM 772 C THR A 49 49.882 62.328 -22.426 1.00 0.00 C ATOM 773 O THR A 49 50.508 61.403 -22.956 1.00 0.00 O ATOM 774 CB THR A 49 50.223 64.565 -23.458 1.00 0.00 C ATOM 775 OG1 THR A 49 50.807 64.001 -24.613 1.00 0.00 O ATOM 776 CG2 THR A 49 50.721 66.005 -23.338 1.00 0.00 C ATOM 0 H THR A 49 52.422 62.865 -22.551 1.00 0.00 H new ATOM 0 HA THR A 49 50.116 64.175 -21.329 1.00 0.00 H new ATOM 0 HB THR A 49 49.136 64.586 -23.532 1.00 0.00 H new ATOM 0 HG1 THR A 49 50.602 64.561 -25.390 1.00 0.00 H new ATOM 0 HG21 THR A 49 50.470 66.554 -24.246 1.00 0.00 H new ATOM 0 HG22 THR A 49 50.246 66.484 -22.482 1.00 0.00 H new ATOM 0 HG23 THR A 49 51.802 66.006 -23.201 1.00 0.00 H new ATOM 784 N ARG A 50 48.596 62.202 -22.066 1.00 0.00 N ATOM 785 CA ARG A 50 47.769 61.003 -22.313 1.00 0.00 C ATOM 786 C ARG A 50 47.774 60.600 -23.787 1.00 0.00 C ATOM 787 O ARG A 50 47.981 59.433 -24.103 1.00 0.00 O ATOM 788 CB ARG A 50 46.334 61.284 -21.832 1.00 0.00 C ATOM 789 CG ARG A 50 45.358 60.115 -22.087 1.00 0.00 C ATOM 790 CD ARG A 50 43.964 60.594 -22.504 1.00 0.00 C ATOM 791 NE ARG A 50 43.992 61.314 -23.796 1.00 0.00 N ATOM 792 CZ ARG A 50 43.100 62.179 -24.247 1.00 0.00 C ATOM 793 NH1 ARG A 50 41.991 62.431 -23.609 1.00 0.00 N ATOM 794 NH2 ARG A 50 43.328 62.836 -25.346 1.00 0.00 N ATOM 0 H ARG A 50 48.088 62.944 -21.585 1.00 0.00 H new ATOM 0 HA ARG A 50 48.192 60.166 -21.757 1.00 0.00 H new ATOM 0 HB2 ARG A 50 46.354 61.504 -20.765 1.00 0.00 H new ATOM 0 HB3 ARG A 50 45.959 62.176 -22.334 1.00 0.00 H new ATOM 0 HG2 ARG A 50 45.765 59.470 -22.866 1.00 0.00 H new ATOM 0 HG3 ARG A 50 45.276 59.511 -21.183 1.00 0.00 H new ATOM 0 HD2 ARG A 50 43.294 59.738 -22.580 1.00 0.00 H new ATOM 0 HD3 ARG A 50 43.559 61.249 -21.732 1.00 0.00 H new ATOM 0 HE ARG A 50 44.787 61.122 -24.406 1.00 0.00 H new ATOM 0 HH11 ARG A 50 41.788 61.954 -22.731 1.00 0.00 H new ATOM 0 HH12 ARG A 50 41.326 63.105 -23.988 1.00 0.00 H new ATOM 0 HH21 ARG A 50 44.196 62.684 -25.860 1.00 0.00 H new ATOM 0 HH22 ARG A 50 42.639 63.503 -25.693 1.00 0.00 H new ATOM 808 N THR A 51 47.567 61.560 -24.687 1.00 0.00 N ATOM 809 CA THR A 51 47.569 61.333 -26.142 1.00 0.00 C ATOM 810 C THR A 51 48.849 60.630 -26.604 1.00 0.00 C ATOM 811 O THR A 51 48.777 59.639 -27.333 1.00 0.00 O ATOM 812 CB THR A 51 47.323 62.666 -26.866 1.00 0.00 C ATOM 813 OG1 THR A 51 45.983 63.042 -26.607 1.00 0.00 O ATOM 814 CG2 THR A 51 47.513 62.647 -28.383 1.00 0.00 C ATOM 0 H THR A 51 47.391 62.531 -24.429 1.00 0.00 H new ATOM 0 HA THR A 51 46.756 60.655 -26.402 1.00 0.00 H new ATOM 0 HB THR A 51 48.071 63.360 -26.484 1.00 0.00 H new ATOM 0 HG1 THR A 51 45.413 62.753 -27.350 1.00 0.00 H new ATOM 0 HG21 THR A 51 47.313 63.639 -28.787 1.00 0.00 H new ATOM 0 HG22 THR A 51 48.538 62.359 -28.618 1.00 0.00 H new ATOM 0 HG23 THR A 51 46.824 61.929 -28.827 1.00 0.00 H new ATOM 822 N SER A 52 50.010 61.052 -26.095 1.00 0.00 N ATOM 823 CA SER A 52 51.291 60.383 -26.349 1.00 0.00 C ATOM 824 C SER A 52 51.441 59.032 -25.634 1.00 0.00 C ATOM 825 O SER A 52 52.042 58.131 -26.219 1.00 0.00 O ATOM 826 CB SER A 52 52.447 61.314 -25.980 1.00 0.00 C ATOM 827 OG SER A 52 52.466 62.415 -26.875 1.00 0.00 O ATOM 0 H SER A 52 50.089 61.871 -25.492 1.00 0.00 H new ATOM 0 HA SER A 52 51.315 60.159 -27.415 1.00 0.00 H new ATOM 0 HB2 SER A 52 52.333 61.666 -24.955 1.00 0.00 H new ATOM 0 HB3 SER A 52 53.393 60.775 -26.028 1.00 0.00 H new ATOM 0 HG SER A 52 51.993 63.173 -26.472 1.00 0.00 H new ATOM 833 N LYS A 53 50.871 58.824 -24.431 1.00 0.00 N ATOM 834 CA LYS A 53 50.814 57.485 -23.797 1.00 0.00 C ATOM 835 C LYS A 53 50.117 56.470 -24.702 1.00 0.00 C ATOM 836 O LYS A 53 50.674 55.407 -24.975 1.00 0.00 O ATOM 837 CB LYS A 53 50.116 57.484 -22.422 1.00 0.00 C ATOM 838 CG LYS A 53 50.842 58.273 -21.323 1.00 0.00 C ATOM 839 CD LYS A 53 50.318 57.952 -19.914 1.00 0.00 C ATOM 840 CE LYS A 53 50.578 56.491 -19.499 1.00 0.00 C ATOM 841 NZ LYS A 53 49.332 55.783 -19.107 1.00 0.00 N ATOM 0 H LYS A 53 50.442 59.564 -23.876 1.00 0.00 H new ATOM 0 HA LYS A 53 51.855 57.200 -23.644 1.00 0.00 H new ATOM 0 HB2 LYS A 53 49.113 57.895 -22.541 1.00 0.00 H new ATOM 0 HB3 LYS A 53 50.001 56.452 -22.091 1.00 0.00 H new ATOM 0 HG2 LYS A 53 51.909 58.052 -21.368 1.00 0.00 H new ATOM 0 HG3 LYS A 53 50.729 59.340 -21.513 1.00 0.00 H new ATOM 0 HD2 LYS A 53 50.792 58.619 -19.194 1.00 0.00 H new ATOM 0 HD3 LYS A 53 49.247 58.151 -19.876 1.00 0.00 H new ATOM 0 HE2 LYS A 53 51.050 55.960 -20.326 1.00 0.00 H new ATOM 0 HE3 LYS A 53 51.281 56.472 -18.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 49.536 54.773 -18.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 48.967 56.188 -18.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 48.620 55.892 -19.857 1.00 0.00 H new ATOM 855 N VAL A 54 48.927 56.805 -25.212 1.00 0.00 N ATOM 856 CA VAL A 54 48.208 55.916 -26.140 1.00 0.00 C ATOM 857 C VAL A 54 49.025 55.729 -27.425 1.00 0.00 C ATOM 858 O VAL A 54 49.225 54.593 -27.846 1.00 0.00 O ATOM 859 CB VAL A 54 46.776 56.390 -26.460 1.00 0.00 C ATOM 860 CG1 VAL A 54 45.997 55.261 -27.154 1.00 0.00 C ATOM 861 CG2 VAL A 54 45.940 56.797 -25.239 1.00 0.00 C ATOM 0 H VAL A 54 48.442 57.677 -25.002 1.00 0.00 H new ATOM 0 HA VAL A 54 48.096 54.956 -25.635 1.00 0.00 H new ATOM 0 HB VAL A 54 46.915 57.271 -27.086 1.00 0.00 H new ATOM 0 HG11 VAL A 54 44.986 55.601 -27.378 1.00 0.00 H new ATOM 0 HG12 VAL A 54 46.501 54.987 -28.081 1.00 0.00 H new ATOM 0 HG13 VAL A 54 45.951 54.393 -26.496 1.00 0.00 H new ATOM 0 HG21 VAL A 54 44.950 57.115 -25.566 1.00 0.00 H new ATOM 0 HG22 VAL A 54 45.844 55.947 -24.564 1.00 0.00 H new ATOM 0 HG23 VAL A 54 46.432 57.619 -24.719 1.00 0.00 H new ATOM 871 N ARG A 55 49.596 56.801 -28.002 1.00 0.00 N ATOM 872 CA ARG A 55 50.480 56.727 -29.189 1.00 0.00 C ATOM 873 C ARG A 55 51.654 55.751 -29.016 1.00 0.00 C ATOM 874 O ARG A 55 51.987 55.016 -29.945 1.00 0.00 O ATOM 875 CB ARG A 55 50.993 58.131 -29.567 1.00 0.00 C ATOM 876 CG ARG A 55 51.353 58.232 -31.061 1.00 0.00 C ATOM 877 CD ARG A 55 50.146 58.648 -31.916 1.00 0.00 C ATOM 878 NE ARG A 55 49.918 60.107 -31.835 1.00 0.00 N ATOM 879 CZ ARG A 55 48.777 60.765 -31.936 1.00 0.00 C ATOM 880 NH1 ARG A 55 47.630 60.164 -32.080 1.00 0.00 N ATOM 881 NH2 ARG A 55 48.772 62.067 -31.900 1.00 0.00 N ATOM 0 H ARG A 55 49.459 57.752 -27.659 1.00 0.00 H new ATOM 0 HA ARG A 55 49.871 56.331 -30.002 1.00 0.00 H new ATOM 0 HB2 ARG A 55 50.231 58.872 -29.327 1.00 0.00 H new ATOM 0 HB3 ARG A 55 51.870 58.370 -28.966 1.00 0.00 H new ATOM 0 HG2 ARG A 55 52.157 58.956 -31.192 1.00 0.00 H new ATOM 0 HG3 ARG A 55 51.730 57.270 -31.409 1.00 0.00 H new ATOM 0 HD2 ARG A 55 50.314 58.359 -32.954 1.00 0.00 H new ATOM 0 HD3 ARG A 55 49.256 58.118 -31.578 1.00 0.00 H new ATOM 0 HE ARG A 55 50.749 60.679 -31.681 1.00 0.00 H new ATOM 0 HH11 ARG A 55 47.589 59.146 -32.119 1.00 0.00 H new ATOM 0 HH12 ARG A 55 46.773 60.712 -32.154 1.00 0.00 H new ATOM 0 HH21 ARG A 55 49.649 62.578 -31.794 1.00 0.00 H new ATOM 0 HH22 ARG A 55 47.891 62.576 -31.978 1.00 0.00 H new ATOM 895 N GLN A 56 52.250 55.702 -27.826 1.00 0.00 N ATOM 896 CA GLN A 56 53.348 54.787 -27.511 1.00 0.00 C ATOM 897 C GLN A 56 52.907 53.308 -27.529 1.00 0.00 C ATOM 898 O GLN A 56 53.634 52.465 -28.055 1.00 0.00 O ATOM 899 CB GLN A 56 53.955 55.193 -26.158 1.00 0.00 C ATOM 900 CG GLN A 56 55.345 54.581 -25.923 1.00 0.00 C ATOM 901 CD GLN A 56 56.459 55.219 -26.758 1.00 0.00 C ATOM 902 OE1 GLN A 56 56.434 56.389 -27.119 1.00 0.00 O ATOM 903 NE2 GLN A 56 57.496 54.480 -27.089 1.00 0.00 N ATOM 0 H GLN A 56 51.983 56.302 -27.045 1.00 0.00 H new ATOM 0 HA GLN A 56 54.109 54.869 -28.287 1.00 0.00 H new ATOM 0 HB2 GLN A 56 54.028 56.279 -26.109 1.00 0.00 H new ATOM 0 HB3 GLN A 56 53.285 54.882 -25.356 1.00 0.00 H new ATOM 0 HG2 GLN A 56 55.598 54.676 -24.867 1.00 0.00 H new ATOM 0 HG3 GLN A 56 55.303 53.515 -26.147 1.00 0.00 H new ATOM 0 HE21 GLN A 56 57.539 53.503 -26.800 1.00 0.00 H new ATOM 0 HE22 GLN A 56 58.257 54.884 -27.635 1.00 0.00 H new ATOM 912 N LEU A 57 51.706 52.983 -27.026 1.00 0.00 N ATOM 913 CA LEU A 57 51.115 51.638 -27.157 1.00 0.00 C ATOM 914 C LEU A 57 50.663 51.335 -28.600 1.00 0.00 C ATOM 915 O LEU A 57 50.803 50.201 -29.056 1.00 0.00 O ATOM 916 CB LEU A 57 50.028 51.427 -26.071 1.00 0.00 C ATOM 917 CG LEU A 57 48.705 50.730 -26.477 1.00 0.00 C ATOM 918 CD1 LEU A 57 48.107 49.985 -25.281 1.00 0.00 C ATOM 919 CD2 LEU A 57 47.682 51.722 -27.034 1.00 0.00 C ATOM 0 H LEU A 57 51.117 53.642 -26.518 1.00 0.00 H new ATOM 0 HA LEU A 57 51.883 50.888 -26.967 1.00 0.00 H new ATOM 0 HB2 LEU A 57 50.474 50.847 -25.263 1.00 0.00 H new ATOM 0 HB3 LEU A 57 49.776 52.404 -25.660 1.00 0.00 H new ATOM 0 HG LEU A 57 48.944 50.019 -27.267 1.00 0.00 H new ATOM 0 HD11 LEU A 57 47.178 49.500 -25.582 1.00 0.00 H new ATOM 0 HD12 LEU A 57 48.813 49.231 -24.932 1.00 0.00 H new ATOM 0 HD13 LEU A 57 47.904 50.692 -24.477 1.00 0.00 H new ATOM 0 HD21 LEU A 57 46.770 51.190 -27.306 1.00 0.00 H new ATOM 0 HD22 LEU A 57 47.453 52.472 -26.277 1.00 0.00 H new ATOM 0 HD23 LEU A 57 48.093 52.212 -27.917 1.00 0.00 H new ATOM 931 N LEU A 58 50.179 52.338 -29.340 1.00 0.00 N ATOM 932 CA LEU A 58 49.762 52.200 -30.741 1.00 0.00 C ATOM 933 C LEU A 58 50.919 51.782 -31.668 1.00 0.00 C ATOM 934 O LEU A 58 50.697 51.017 -32.605 1.00 0.00 O ATOM 935 CB LEU A 58 49.103 53.505 -31.221 1.00 0.00 C ATOM 936 CG LEU A 58 47.711 53.765 -30.614 1.00 0.00 C ATOM 937 CD1 LEU A 58 47.304 55.221 -30.847 1.00 0.00 C ATOM 938 CD2 LEU A 58 46.659 52.832 -31.210 1.00 0.00 C ATOM 0 H LEU A 58 50.064 53.284 -28.977 1.00 0.00 H new ATOM 0 HA LEU A 58 49.031 51.393 -30.790 1.00 0.00 H new ATOM 0 HB2 LEU A 58 49.757 54.342 -30.976 1.00 0.00 H new ATOM 0 HB3 LEU A 58 49.015 53.477 -32.307 1.00 0.00 H new ATOM 0 HG LEU A 58 47.770 53.568 -29.544 1.00 0.00 H new ATOM 0 HD11 LEU A 58 46.319 55.397 -30.415 1.00 0.00 H new ATOM 0 HD12 LEU A 58 48.031 55.882 -30.375 1.00 0.00 H new ATOM 0 HD13 LEU A 58 47.272 55.423 -31.918 1.00 0.00 H new ATOM 0 HD21 LEU A 58 45.689 53.042 -30.760 1.00 0.00 H new ATOM 0 HD22 LEU A 58 46.601 52.990 -32.287 1.00 0.00 H new ATOM 0 HD23 LEU A 58 46.935 51.797 -31.009 1.00 0.00 H new ATOM 950 N ASP A 59 52.154 52.208 -31.385 1.00 0.00 N ATOM 951 CA ASP A 59 53.353 51.707 -32.073 1.00 0.00 C ATOM 952 C ASP A 59 53.547 50.190 -31.869 1.00 0.00 C ATOM 953 O ASP A 59 53.655 49.440 -32.840 1.00 0.00 O ATOM 954 CB ASP A 59 54.580 52.494 -31.591 1.00 0.00 C ATOM 955 CG ASP A 59 55.870 52.036 -32.293 1.00 0.00 C ATOM 956 OD1 ASP A 59 55.977 52.204 -33.531 1.00 0.00 O ATOM 957 OD2 ASP A 59 56.789 51.528 -31.607 1.00 0.00 O ATOM 0 H ASP A 59 52.353 52.910 -30.672 1.00 0.00 H new ATOM 0 HA ASP A 59 53.225 51.859 -33.145 1.00 0.00 H new ATOM 0 HB2 ASP A 59 54.424 53.557 -31.776 1.00 0.00 H new ATOM 0 HB3 ASP A 59 54.690 52.370 -30.514 1.00 0.00 H new ATOM 962 N THR A 60 53.516 49.717 -30.617 1.00 0.00 N ATOM 963 CA THR A 60 53.618 48.285 -30.265 1.00 0.00 C ATOM 964 C THR A 60 52.449 47.456 -30.814 1.00 0.00 C ATOM 965 O THR A 60 52.626 46.292 -31.173 1.00 0.00 O ATOM 966 CB THR A 60 53.725 48.104 -28.740 1.00 0.00 C ATOM 967 OG1 THR A 60 54.763 48.926 -28.246 1.00 0.00 O ATOM 968 CG2 THR A 60 54.063 46.669 -28.326 1.00 0.00 C ATOM 0 H THR A 60 53.418 50.324 -29.803 1.00 0.00 H new ATOM 0 HA THR A 60 54.528 47.913 -30.737 1.00 0.00 H new ATOM 0 HB THR A 60 52.749 48.366 -28.332 1.00 0.00 H new ATOM 0 HG1 THR A 60 54.834 48.815 -27.275 1.00 0.00 H new ATOM 0 HG21 THR A 60 54.124 46.609 -27.239 1.00 0.00 H new ATOM 0 HG22 THR A 60 53.285 45.994 -28.684 1.00 0.00 H new ATOM 0 HG23 THR A 60 55.021 46.381 -28.760 1.00 0.00 H new ATOM 976 N THR A 61 51.265 48.055 -30.961 1.00 0.00 N ATOM 977 CA THR A 61 50.086 47.431 -31.583 1.00 0.00 C ATOM 978 C THR A 61 50.368 46.870 -32.980 1.00 0.00 C ATOM 979 O THR A 61 49.974 45.742 -33.280 1.00 0.00 O ATOM 980 CB THR A 61 48.911 48.426 -31.573 1.00 0.00 C ATOM 981 OG1 THR A 61 47.911 47.913 -30.740 1.00 0.00 O ATOM 982 CG2 THR A 61 48.224 48.756 -32.896 1.00 0.00 C ATOM 0 H THR A 61 51.091 49.009 -30.645 1.00 0.00 H new ATOM 0 HA THR A 61 49.812 46.561 -30.986 1.00 0.00 H new ATOM 0 HB THR A 61 49.380 49.355 -31.249 1.00 0.00 H new ATOM 0 HG1 THR A 61 48.017 48.280 -29.837 1.00 0.00 H new ATOM 0 HG21 THR A 61 47.419 49.470 -32.720 1.00 0.00 H new ATOM 0 HG22 THR A 61 48.949 49.190 -33.584 1.00 0.00 H new ATOM 0 HG23 THR A 61 47.812 47.845 -33.330 1.00 0.00 H new ATOM 990 N ASP A 62 51.107 47.605 -33.818 1.00 0.00 N ATOM 991 CA ASP A 62 51.465 47.158 -35.171 1.00 0.00 C ATOM 992 C ASP A 62 52.537 46.047 -35.166 1.00 0.00 C ATOM 993 O ASP A 62 52.578 45.224 -36.083 1.00 0.00 O ATOM 994 CB ASP A 62 51.953 48.351 -36.009 1.00 0.00 C ATOM 995 CG ASP A 62 50.875 49.423 -36.267 1.00 0.00 C ATOM 996 OD1 ASP A 62 49.703 49.072 -36.545 1.00 0.00 O ATOM 997 OD2 ASP A 62 51.218 50.629 -36.265 1.00 0.00 O ATOM 0 H ASP A 62 51.474 48.526 -33.579 1.00 0.00 H new ATOM 0 HA ASP A 62 50.564 46.735 -35.616 1.00 0.00 H new ATOM 0 HB2 ASP A 62 52.798 48.816 -35.502 1.00 0.00 H new ATOM 0 HB3 ASP A 62 52.320 47.982 -36.967 1.00 0.00 H new ATOM 1002 N ILE A 63 53.381 45.991 -34.126 1.00 0.00 N ATOM 1003 CA ILE A 63 54.390 44.935 -33.920 1.00 0.00 C ATOM 1004 C ILE A 63 53.727 43.586 -33.579 1.00 0.00 C ATOM 1005 O ILE A 63 54.206 42.537 -34.018 1.00 0.00 O ATOM 1006 CB ILE A 63 55.405 45.361 -32.825 1.00 0.00 C ATOM 1007 CG1 ILE A 63 56.088 46.718 -33.122 1.00 0.00 C ATOM 1008 CG2 ILE A 63 56.479 44.289 -32.570 1.00 0.00 C ATOM 1009 CD1 ILE A 63 56.940 46.772 -34.398 1.00 0.00 C ATOM 0 H ILE A 63 53.383 46.693 -33.386 1.00 0.00 H new ATOM 0 HA ILE A 63 54.936 44.799 -34.853 1.00 0.00 H new ATOM 0 HB ILE A 63 54.806 45.478 -31.922 1.00 0.00 H new ATOM 0 HG12 ILE A 63 55.316 47.485 -33.190 1.00 0.00 H new ATOM 0 HG13 ILE A 63 56.721 46.978 -32.274 1.00 0.00 H new ATOM 0 HG21 ILE A 63 57.163 44.636 -31.796 1.00 0.00 H new ATOM 0 HG22 ILE A 63 56.001 43.365 -32.244 1.00 0.00 H new ATOM 0 HG23 ILE A 63 57.035 44.105 -33.489 1.00 0.00 H new ATOM 0 HD11 ILE A 63 57.370 47.768 -34.507 1.00 0.00 H new ATOM 0 HD12 ILE A 63 57.741 46.036 -34.332 1.00 0.00 H new ATOM 0 HD13 ILE A 63 56.315 46.551 -35.263 1.00 0.00 H new ATOM 1021 N GLN A 64 52.615 43.598 -32.833 1.00 0.00 N ATOM 1022 CA GLN A 64 51.909 42.381 -32.404 1.00 0.00 C ATOM 1023 C GLN A 64 50.799 41.932 -33.373 1.00 0.00 C ATOM 1024 O GLN A 64 50.672 40.734 -33.638 1.00 0.00 O ATOM 1025 CB GLN A 64 51.295 42.610 -31.016 1.00 0.00 C ATOM 1026 CG GLN A 64 52.308 42.951 -29.909 1.00 0.00 C ATOM 1027 CD GLN A 64 53.405 41.903 -29.734 1.00 0.00 C ATOM 1028 OE1 GLN A 64 53.164 40.704 -29.671 1.00 0.00 O ATOM 1029 NE2 GLN A 64 54.654 42.310 -29.653 1.00 0.00 N ATOM 0 H GLN A 64 52.175 44.459 -32.507 1.00 0.00 H new ATOM 0 HA GLN A 64 52.653 41.585 -32.385 1.00 0.00 H new ATOM 0 HB2 GLN A 64 50.568 43.419 -31.085 1.00 0.00 H new ATOM 0 HB3 GLN A 64 50.748 41.714 -30.724 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.769 43.912 -30.135 1.00 0.00 H new ATOM 0 HG3 GLN A 64 51.775 43.067 -28.965 1.00 0.00 H new ATOM 0 HE21 GLN A 64 54.870 43.305 -29.704 1.00 0.00 H new ATOM 0 HE22 GLN A 64 55.406 41.630 -29.539 1.00 0.00 H new ATOM 1038 N GLY A 65 49.994 42.862 -33.903 1.00 0.00 N ATOM 1039 CA GLY A 65 48.874 42.567 -34.806 1.00 0.00 C ATOM 1040 C GLY A 65 47.513 42.485 -34.100 1.00 0.00 C ATOM 1041 O GLY A 65 47.278 43.161 -33.095 1.00 0.00 O ATOM 0 H GLY A 65 50.105 43.858 -33.713 1.00 0.00 H new ATOM 0 HA2 GLY A 65 48.828 43.337 -35.576 1.00 0.00 H new ATOM 0 HA3 GLY A 65 49.067 41.621 -35.313 1.00 0.00 H new ATOM 1045 N GLU A 66 46.610 41.654 -34.636 1.00 0.00 N ATOM 1046 CA GLU A 66 45.219 41.406 -34.193 1.00 0.00 C ATOM 1047 C GLU A 66 45.089 40.707 -32.813 1.00 0.00 C ATOM 1048 O GLU A 66 44.280 39.804 -32.614 1.00 0.00 O ATOM 1049 CB GLU A 66 44.475 40.643 -35.312 1.00 0.00 C ATOM 1050 CG GLU A 66 42.935 40.696 -35.199 1.00 0.00 C ATOM 1051 CD GLU A 66 42.275 39.302 -35.082 1.00 0.00 C ATOM 1052 OE1 GLU A 66 42.543 38.418 -35.934 1.00 0.00 O ATOM 1053 OE2 GLU A 66 41.432 39.100 -34.174 1.00 0.00 O ATOM 0 H GLU A 66 46.844 41.091 -35.454 1.00 0.00 H new ATOM 0 HA GLU A 66 44.752 42.376 -34.025 1.00 0.00 H new ATOM 0 HB2 GLU A 66 44.772 41.055 -36.277 1.00 0.00 H new ATOM 0 HB3 GLU A 66 44.793 39.601 -35.299 1.00 0.00 H new ATOM 0 HG2 GLU A 66 42.663 41.292 -34.328 1.00 0.00 H new ATOM 0 HG3 GLU A 66 42.532 41.207 -36.073 1.00 0.00 H new ATOM 1060 N GLU A 67 45.891 41.126 -31.835 1.00 0.00 N ATOM 1061 CA GLU A 67 45.862 40.691 -30.431 1.00 0.00 C ATOM 1062 C GLU A 67 45.999 41.917 -29.516 1.00 0.00 C ATOM 1063 O GLU A 67 45.088 42.239 -28.750 1.00 0.00 O ATOM 1064 CB GLU A 67 46.981 39.664 -30.162 1.00 0.00 C ATOM 1065 CG GLU A 67 46.813 38.365 -30.964 1.00 0.00 C ATOM 1066 CD GLU A 67 47.858 37.308 -30.557 1.00 0.00 C ATOM 1067 OE1 GLU A 67 49.062 37.479 -30.870 1.00 0.00 O ATOM 1068 OE2 GLU A 67 47.480 36.285 -29.934 1.00 0.00 O ATOM 0 H GLU A 67 46.621 41.817 -32.006 1.00 0.00 H new ATOM 0 HA GLU A 67 44.911 40.203 -30.220 1.00 0.00 H new ATOM 0 HB2 GLU A 67 47.944 40.113 -30.406 1.00 0.00 H new ATOM 0 HB3 GLU A 67 47.000 39.427 -29.098 1.00 0.00 H new ATOM 0 HG2 GLU A 67 45.811 37.966 -30.806 1.00 0.00 H new ATOM 0 HG3 GLU A 67 46.907 38.579 -32.029 1.00 0.00 H new ATOM 1075 N PHE A 68 47.089 42.672 -29.679 1.00 0.00 N ATOM 1076 CA PHE A 68 47.341 43.935 -28.978 1.00 0.00 C ATOM 1077 C PHE A 68 46.502 45.083 -29.574 1.00 0.00 C ATOM 1078 O PHE A 68 45.937 45.878 -28.827 1.00 0.00 O ATOM 1079 CB PHE A 68 48.847 44.211 -29.069 1.00 0.00 C ATOM 1080 CG PHE A 68 49.490 45.024 -27.962 1.00 0.00 C ATOM 1081 CD1 PHE A 68 49.379 46.426 -27.940 1.00 0.00 C ATOM 1082 CD2 PHE A 68 50.318 44.384 -27.018 1.00 0.00 C ATOM 1083 CE1 PHE A 68 50.120 47.178 -27.012 1.00 0.00 C ATOM 1084 CE2 PHE A 68 51.047 45.138 -26.082 1.00 0.00 C ATOM 1085 CZ PHE A 68 50.956 46.538 -26.083 1.00 0.00 C ATOM 0 H PHE A 68 47.841 42.415 -30.319 1.00 0.00 H new ATOM 0 HA PHE A 68 47.040 43.863 -27.933 1.00 0.00 H new ATOM 0 HB2 PHE A 68 49.360 43.251 -29.119 1.00 0.00 H new ATOM 0 HB3 PHE A 68 49.036 44.723 -30.012 1.00 0.00 H new ATOM 0 HD1 PHE A 68 48.723 46.926 -28.638 1.00 0.00 H new ATOM 0 HD2 PHE A 68 50.393 43.307 -27.014 1.00 0.00 H new ATOM 0 HE1 PHE A 68 50.046 48.255 -27.014 1.00 0.00 H new ATOM 0 HE2 PHE A 68 51.678 44.639 -25.361 1.00 0.00 H new ATOM 0 HZ PHE A 68 51.526 47.120 -25.374 1.00 0.00 H new ATOM 1095 N ALA A 69 46.310 45.114 -30.902 1.00 0.00 N ATOM 1096 CA ALA A 69 45.357 46.029 -31.542 1.00 0.00 C ATOM 1097 C ALA A 69 43.914 45.756 -31.077 1.00 0.00 C ATOM 1098 O ALA A 69 43.159 46.681 -30.775 1.00 0.00 O ATOM 1099 CB ALA A 69 45.492 45.899 -33.064 1.00 0.00 C ATOM 0 H ALA A 69 46.807 44.510 -31.556 1.00 0.00 H new ATOM 0 HA ALA A 69 45.588 47.053 -31.247 1.00 0.00 H new ATOM 0 HB1 ALA A 69 44.788 46.574 -33.551 1.00 0.00 H new ATOM 0 HB2 ALA A 69 46.508 46.157 -33.362 1.00 0.00 H new ATOM 0 HB3 ALA A 69 45.275 44.873 -33.362 1.00 0.00 H new ATOM 1105 N LYS A 70 43.548 44.470 -30.970 1.00 0.00 N ATOM 1106 CA LYS A 70 42.238 43.997 -30.498 1.00 0.00 C ATOM 1107 C LYS A 70 41.931 44.428 -29.059 1.00 0.00 C ATOM 1108 O LYS A 70 40.832 44.924 -28.820 1.00 0.00 O ATOM 1109 CB LYS A 70 42.140 42.473 -30.731 1.00 0.00 C ATOM 1110 CG LYS A 70 41.247 41.712 -29.732 1.00 0.00 C ATOM 1111 CD LYS A 70 40.883 40.288 -30.178 1.00 0.00 C ATOM 1112 CE LYS A 70 42.100 39.439 -30.576 1.00 0.00 C ATOM 1113 NZ LYS A 70 42.175 38.139 -29.859 1.00 0.00 N ATOM 0 H LYS A 70 44.176 43.706 -31.218 1.00 0.00 H new ATOM 0 HA LYS A 70 41.453 44.477 -31.082 1.00 0.00 H new ATOM 0 HB2 LYS A 70 41.761 42.299 -31.738 1.00 0.00 H new ATOM 0 HB3 LYS A 70 43.144 42.050 -30.691 1.00 0.00 H new ATOM 0 HG2 LYS A 70 41.757 41.661 -28.770 1.00 0.00 H new ATOM 0 HG3 LYS A 70 40.329 42.279 -29.576 1.00 0.00 H new ATOM 0 HD2 LYS A 70 40.350 39.788 -29.369 1.00 0.00 H new ATOM 0 HD3 LYS A 70 40.198 40.345 -31.024 1.00 0.00 H new ATOM 0 HE2 LYS A 70 42.067 39.252 -31.649 1.00 0.00 H new ATOM 0 HE3 LYS A 70 43.009 40.007 -30.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 43.018 37.617 -30.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 42.236 38.310 -28.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 41.324 37.579 -30.066 1.00 0.00 H new ATOM 1127 N VAL A 71 42.860 44.288 -28.105 1.00 0.00 N ATOM 1128 CA VAL A 71 42.561 44.597 -26.687 1.00 0.00 C ATOM 1129 C VAL A 71 42.156 46.063 -26.466 1.00 0.00 C ATOM 1130 O VAL A 71 41.284 46.339 -25.646 1.00 0.00 O ATOM 1131 CB VAL A 71 43.693 44.152 -25.735 1.00 0.00 C ATOM 1132 CG1 VAL A 71 44.827 45.165 -25.571 1.00 0.00 C ATOM 1133 CG2 VAL A 71 43.144 43.851 -24.335 1.00 0.00 C ATOM 0 H VAL A 71 43.813 43.968 -28.277 1.00 0.00 H new ATOM 0 HA VAL A 71 41.686 44.001 -26.430 1.00 0.00 H new ATOM 0 HB VAL A 71 44.105 43.262 -26.211 1.00 0.00 H new ATOM 0 HG11 VAL A 71 45.575 44.766 -24.885 1.00 0.00 H new ATOM 0 HG12 VAL A 71 45.288 45.355 -26.540 1.00 0.00 H new ATOM 0 HG13 VAL A 71 44.428 46.097 -25.170 1.00 0.00 H new ATOM 0 HG21 VAL A 71 43.960 43.540 -23.683 1.00 0.00 H new ATOM 0 HG22 VAL A 71 42.676 44.747 -23.927 1.00 0.00 H new ATOM 0 HG23 VAL A 71 42.405 43.052 -24.398 1.00 0.00 H new ATOM 1143 N ILE A 72 42.711 46.996 -27.248 1.00 0.00 N ATOM 1144 CA ILE A 72 42.363 48.430 -27.219 1.00 0.00 C ATOM 1145 C ILE A 72 40.888 48.641 -27.608 1.00 0.00 C ATOM 1146 O ILE A 72 40.172 49.416 -26.972 1.00 0.00 O ATOM 1147 CB ILE A 72 43.312 49.220 -28.156 1.00 0.00 C ATOM 1148 CG1 ILE A 72 44.793 49.027 -27.746 1.00 0.00 C ATOM 1149 CG2 ILE A 72 42.992 50.727 -28.154 1.00 0.00 C ATOM 1150 CD1 ILE A 72 45.776 49.466 -28.833 1.00 0.00 C ATOM 0 H ILE A 72 43.431 46.775 -27.936 1.00 0.00 H new ATOM 0 HA ILE A 72 42.490 48.806 -26.204 1.00 0.00 H new ATOM 0 HB ILE A 72 43.155 48.824 -29.159 1.00 0.00 H new ATOM 0 HG12 ILE A 72 44.989 49.594 -26.836 1.00 0.00 H new ATOM 0 HG13 ILE A 72 44.965 47.977 -27.511 1.00 0.00 H new ATOM 0 HG21 ILE A 72 43.679 51.246 -28.823 1.00 0.00 H new ATOM 0 HG22 ILE A 72 41.968 50.882 -28.494 1.00 0.00 H new ATOM 0 HG23 ILE A 72 43.102 51.121 -27.144 1.00 0.00 H new ATOM 0 HD11 ILE A 72 46.797 49.306 -28.486 1.00 0.00 H new ATOM 0 HD12 ILE A 72 45.604 48.881 -29.737 1.00 0.00 H new ATOM 0 HD13 ILE A 72 45.628 50.524 -29.051 1.00 0.00 H new ATOM 1162 N VAL A 73 40.403 47.907 -28.614 1.00 0.00 N ATOM 1163 CA VAL A 73 38.991 47.923 -29.029 1.00 0.00 C ATOM 1164 C VAL A 73 38.096 47.220 -28.004 1.00 0.00 C ATOM 1165 O VAL A 73 37.029 47.729 -27.659 1.00 0.00 O ATOM 1166 CB VAL A 73 38.814 47.272 -30.411 1.00 0.00 C ATOM 1167 CG1 VAL A 73 37.382 47.479 -30.904 1.00 0.00 C ATOM 1168 CG2 VAL A 73 39.778 47.841 -31.458 1.00 0.00 C ATOM 0 H VAL A 73 40.982 47.278 -29.170 1.00 0.00 H new ATOM 0 HA VAL A 73 38.687 48.968 -29.090 1.00 0.00 H new ATOM 0 HB VAL A 73 39.034 46.211 -30.289 1.00 0.00 H new ATOM 0 HG11 VAL A 73 37.264 47.015 -31.883 1.00 0.00 H new ATOM 0 HG12 VAL A 73 36.685 47.023 -30.200 1.00 0.00 H new ATOM 0 HG13 VAL A 73 37.174 48.546 -30.980 1.00 0.00 H new ATOM 0 HG21 VAL A 73 39.610 47.346 -32.415 1.00 0.00 H new ATOM 0 HG22 VAL A 73 39.605 48.912 -31.568 1.00 0.00 H new ATOM 0 HG23 VAL A 73 40.806 47.670 -31.137 1.00 0.00 H new ATOM 1178 N GLN A 74 38.530 46.080 -27.456 1.00 0.00 N ATOM 1179 CA GLN A 74 37.787 45.384 -26.399 1.00 0.00 C ATOM 1180 C GLN A 74 37.638 46.258 -25.137 1.00 0.00 C ATOM 1181 O GLN A 74 36.596 46.220 -24.487 1.00 0.00 O ATOM 1182 CB GLN A 74 38.375 43.973 -26.155 1.00 0.00 C ATOM 1183 CG GLN A 74 39.013 43.719 -24.778 1.00 0.00 C ATOM 1184 CD GLN A 74 39.472 42.268 -24.624 1.00 0.00 C ATOM 1185 OE1 GLN A 74 40.249 41.741 -25.408 1.00 0.00 O ATOM 1186 NE2 GLN A 74 39.015 41.565 -23.610 1.00 0.00 N ATOM 0 H GLN A 74 39.397 45.617 -27.729 1.00 0.00 H new ATOM 0 HA GLN A 74 36.762 45.216 -26.731 1.00 0.00 H new ATOM 0 HB2 GLN A 74 37.579 43.243 -26.301 1.00 0.00 H new ATOM 0 HB3 GLN A 74 39.128 43.781 -26.919 1.00 0.00 H new ATOM 0 HG2 GLN A 74 39.865 44.386 -24.643 1.00 0.00 H new ATOM 0 HG3 GLN A 74 38.294 43.958 -23.994 1.00 0.00 H new ATOM 0 HE21 GLN A 74 38.366 41.989 -22.947 1.00 0.00 H new ATOM 0 HE22 GLN A 74 39.309 40.596 -23.487 1.00 0.00 H new ATOM 1195 N LYS A 75 38.630 47.105 -24.827 1.00 0.00 N ATOM 1196 CA LYS A 75 38.594 48.105 -23.743 1.00 0.00 C ATOM 1197 C LYS A 75 37.609 49.252 -23.971 1.00 0.00 C ATOM 1198 O LYS A 75 37.030 49.751 -23.004 1.00 0.00 O ATOM 1199 CB LYS A 75 40.019 48.645 -23.520 1.00 0.00 C ATOM 1200 CG LYS A 75 40.803 47.691 -22.611 1.00 0.00 C ATOM 1201 CD LYS A 75 40.367 47.855 -21.142 1.00 0.00 C ATOM 1202 CE LYS A 75 40.068 46.529 -20.430 1.00 0.00 C ATOM 1203 NZ LYS A 75 41.280 45.690 -20.244 1.00 0.00 N ATOM 0 H LYS A 75 39.511 47.115 -25.340 1.00 0.00 H new ATOM 0 HA LYS A 75 38.226 47.595 -22.852 1.00 0.00 H new ATOM 0 HB2 LYS A 75 40.530 48.752 -24.477 1.00 0.00 H new ATOM 0 HB3 LYS A 75 39.975 49.637 -23.069 1.00 0.00 H new ATOM 0 HG2 LYS A 75 40.641 46.662 -22.931 1.00 0.00 H new ATOM 0 HG3 LYS A 75 41.871 47.889 -22.703 1.00 0.00 H new ATOM 0 HD2 LYS A 75 41.152 48.380 -20.597 1.00 0.00 H new ATOM 0 HD3 LYS A 75 39.478 48.484 -21.105 1.00 0.00 H new ATOM 0 HE2 LYS A 75 39.622 46.737 -19.457 1.00 0.00 H new ATOM 0 HE3 LYS A 75 39.330 45.971 -21.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 41.030 44.831 -19.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 41.664 45.424 -21.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 41.996 46.227 -19.714 1.00 0.00 H new ATOM 1217 N LEU A 76 37.357 49.633 -25.222 1.00 0.00 N ATOM 1218 CA LEU A 76 36.274 50.555 -25.582 1.00 0.00 C ATOM 1219 C LEU A 76 34.890 49.922 -25.381 1.00 0.00 C ATOM 1220 O LEU A 76 33.990 50.593 -24.872 1.00 0.00 O ATOM 1221 CB LEU A 76 36.464 51.022 -27.036 1.00 0.00 C ATOM 1222 CG LEU A 76 37.514 52.133 -27.176 1.00 0.00 C ATOM 1223 CD1 LEU A 76 37.923 52.276 -28.637 1.00 0.00 C ATOM 1224 CD2 LEU A 76 36.951 53.464 -26.667 1.00 0.00 C ATOM 0 H LEU A 76 37.901 49.310 -26.022 1.00 0.00 H new ATOM 0 HA LEU A 76 36.321 51.417 -24.917 1.00 0.00 H new ATOM 0 HB2 LEU A 76 36.759 50.171 -27.650 1.00 0.00 H new ATOM 0 HB3 LEU A 76 35.510 51.380 -27.425 1.00 0.00 H new ATOM 0 HG LEU A 76 38.387 51.867 -26.579 1.00 0.00 H new ATOM 0 HD11 LEU A 76 38.668 53.066 -28.731 1.00 0.00 H new ATOM 0 HD12 LEU A 76 38.345 51.335 -28.990 1.00 0.00 H new ATOM 0 HD13 LEU A 76 37.049 52.529 -29.236 1.00 0.00 H new ATOM 0 HD21 LEU A 76 37.706 54.243 -26.772 1.00 0.00 H new ATOM 0 HD22 LEU A 76 36.069 53.733 -27.249 1.00 0.00 H new ATOM 0 HD23 LEU A 76 36.676 53.365 -25.617 1.00 0.00 H new ATOM 1236 N LYS A 77 34.716 48.638 -25.729 1.00 0.00 N ATOM 1237 CA LYS A 77 33.467 47.901 -25.457 1.00 0.00 C ATOM 1238 C LYS A 77 33.265 47.578 -23.973 1.00 0.00 C ATOM 1239 O LYS A 77 32.138 47.653 -23.497 1.00 0.00 O ATOM 1240 CB LYS A 77 33.347 46.643 -26.349 1.00 0.00 C ATOM 1241 CG LYS A 77 32.230 46.823 -27.394 1.00 0.00 C ATOM 1242 CD LYS A 77 30.811 46.835 -26.789 1.00 0.00 C ATOM 1243 CE LYS A 77 29.858 47.770 -27.548 1.00 0.00 C ATOM 1244 NZ LYS A 77 29.519 47.264 -28.905 1.00 0.00 N ATOM 0 H LYS A 77 35.429 48.083 -26.203 1.00 0.00 H new ATOM 0 HA LYS A 77 32.651 48.573 -25.723 1.00 0.00 H new ATOM 0 HB2 LYS A 77 34.296 46.455 -26.852 1.00 0.00 H new ATOM 0 HB3 LYS A 77 33.136 45.771 -25.730 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.394 47.757 -27.931 1.00 0.00 H new ATOM 0 HG3 LYS A 77 32.296 46.018 -28.126 1.00 0.00 H new ATOM 0 HD2 LYS A 77 30.406 45.823 -26.799 1.00 0.00 H new ATOM 0 HD3 LYS A 77 30.866 47.146 -25.746 1.00 0.00 H new ATOM 0 HE2 LYS A 77 28.941 47.894 -26.971 1.00 0.00 H new ATOM 0 HE3 LYS A 77 30.315 48.755 -27.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 29.996 47.847 -29.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 29.834 46.277 -28.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.490 47.314 -29.047 1.00 0.00 H new ATOM 1258 N ASP A 78 34.329 47.321 -23.213 1.00 0.00 N ATOM 1259 CA ASP A 78 34.281 47.196 -21.747 1.00 0.00 C ATOM 1260 C ASP A 78 33.810 48.498 -21.065 1.00 0.00 C ATOM 1261 O ASP A 78 33.017 48.460 -20.123 1.00 0.00 O ATOM 1262 CB ASP A 78 35.665 46.776 -21.230 1.00 0.00 C ATOM 1263 CG ASP A 78 35.671 46.548 -19.709 1.00 0.00 C ATOM 1264 OD1 ASP A 78 35.071 45.548 -19.246 1.00 0.00 O ATOM 1265 OD2 ASP A 78 36.296 47.353 -18.979 1.00 0.00 O ATOM 0 H ASP A 78 35.264 47.191 -23.599 1.00 0.00 H new ATOM 0 HA ASP A 78 33.547 46.431 -21.493 1.00 0.00 H new ATOM 0 HB2 ASP A 78 35.977 45.862 -21.734 1.00 0.00 H new ATOM 0 HB3 ASP A 78 36.395 47.545 -21.484 1.00 0.00 H new ATOM 1270 N ASN A 79 34.234 49.655 -21.589 1.00 0.00 N ATOM 1271 CA ASN A 79 33.765 50.983 -21.172 1.00 0.00 C ATOM 1272 C ASN A 79 32.423 51.417 -21.811 1.00 0.00 C ATOM 1273 O ASN A 79 31.914 52.487 -21.465 1.00 0.00 O ATOM 1274 CB ASN A 79 34.878 52.009 -21.462 1.00 0.00 C ATOM 1275 CG ASN A 79 35.953 52.016 -20.390 1.00 0.00 C ATOM 1276 OD1 ASN A 79 35.785 52.580 -19.318 1.00 0.00 O ATOM 1277 ND2 ASN A 79 37.089 51.405 -20.637 1.00 0.00 N ATOM 0 H ASN A 79 34.930 49.695 -22.333 1.00 0.00 H new ATOM 0 HA ASN A 79 33.554 50.932 -20.104 1.00 0.00 H new ATOM 0 HB2 ASN A 79 35.333 51.785 -22.427 1.00 0.00 H new ATOM 0 HB3 ASN A 79 34.440 53.004 -21.540 1.00 0.00 H new ATOM 0 HD21 ASN A 79 37.829 51.401 -19.935 1.00 0.00 H new ATOM 0 HD22 ASN A 79 37.231 50.934 -21.531 1.00 0.00 H new ATOM 1284 N LYS A 80 31.838 50.617 -22.720 1.00 0.00 N ATOM 1285 CA LYS A 80 30.593 50.913 -23.471 1.00 0.00 C ATOM 1286 C LYS A 80 30.593 52.323 -24.098 1.00 0.00 C ATOM 1287 O LYS A 80 29.643 53.095 -23.968 1.00 0.00 O ATOM 1288 CB LYS A 80 29.371 50.584 -22.580 1.00 0.00 C ATOM 1289 CG LYS A 80 29.240 49.062 -22.380 1.00 0.00 C ATOM 1290 CD LYS A 80 28.365 48.665 -21.187 1.00 0.00 C ATOM 1291 CE LYS A 80 28.333 47.131 -21.104 1.00 0.00 C ATOM 1292 NZ LYS A 80 27.745 46.650 -19.827 1.00 0.00 N ATOM 0 H LYS A 80 32.231 49.708 -22.965 1.00 0.00 H new ATOM 0 HA LYS A 80 30.529 50.264 -24.345 1.00 0.00 H new ATOM 0 HB2 LYS A 80 29.476 51.076 -21.613 1.00 0.00 H new ATOM 0 HB3 LYS A 80 28.463 50.975 -23.039 1.00 0.00 H new ATOM 0 HG2 LYS A 80 28.824 48.621 -23.286 1.00 0.00 H new ATOM 0 HG3 LYS A 80 30.234 48.636 -22.246 1.00 0.00 H new ATOM 0 HD2 LYS A 80 28.765 49.087 -20.265 1.00 0.00 H new ATOM 0 HD3 LYS A 80 27.356 49.060 -21.307 1.00 0.00 H new ATOM 0 HE2 LYS A 80 27.755 46.736 -21.940 1.00 0.00 H new ATOM 0 HE3 LYS A 80 29.346 46.742 -21.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 27.744 45.610 -19.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 28.310 47.005 -19.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 26.769 46.998 -19.741 1.00 0.00 H new ATOM 1306 N GLN A 81 31.704 52.670 -24.752 1.00 0.00 N ATOM 1307 CA GLN A 81 31.979 53.991 -25.337 1.00 0.00 C ATOM 1308 C GLN A 81 31.252 54.222 -26.676 1.00 0.00 C ATOM 1309 O GLN A 81 31.691 53.783 -27.739 1.00 0.00 O ATOM 1310 CB GLN A 81 33.500 54.149 -25.484 1.00 0.00 C ATOM 1311 CG GLN A 81 34.175 54.369 -24.120 1.00 0.00 C ATOM 1312 CD GLN A 81 34.491 55.838 -23.861 1.00 0.00 C ATOM 1313 OE1 GLN A 81 33.703 56.593 -23.307 1.00 0.00 O ATOM 1314 NE2 GLN A 81 35.661 56.288 -24.257 1.00 0.00 N ATOM 0 H GLN A 81 32.471 52.013 -24.896 1.00 0.00 H new ATOM 0 HA GLN A 81 31.587 54.755 -24.666 1.00 0.00 H new ATOM 0 HB2 GLN A 81 33.916 53.260 -25.958 1.00 0.00 H new ATOM 0 HB3 GLN A 81 33.718 54.992 -26.140 1.00 0.00 H new ATOM 0 HG2 GLN A 81 33.523 53.995 -23.330 1.00 0.00 H new ATOM 0 HG3 GLN A 81 35.096 53.788 -24.075 1.00 0.00 H new ATOM 0 HE21 GLN A 81 36.319 55.660 -24.719 1.00 0.00 H new ATOM 0 HE22 GLN A 81 35.911 57.265 -24.102 1.00 0.00 H new ATOM 1323 N MET A 82 30.141 54.963 -26.631 1.00 0.00 N ATOM 1324 CA MET A 82 29.273 55.264 -27.786 1.00 0.00 C ATOM 1325 C MET A 82 29.925 56.113 -28.896 1.00 0.00 C ATOM 1326 O MET A 82 29.366 56.219 -29.989 1.00 0.00 O ATOM 1327 CB MET A 82 27.986 55.941 -27.286 1.00 0.00 C ATOM 1328 CG MET A 82 27.176 55.099 -26.287 1.00 0.00 C ATOM 1329 SD MET A 82 26.408 53.590 -26.950 1.00 0.00 S ATOM 1330 CE MET A 82 27.684 52.330 -26.650 1.00 0.00 C ATOM 0 H MET A 82 29.806 55.386 -25.765 1.00 0.00 H new ATOM 0 HA MET A 82 29.061 54.305 -28.259 1.00 0.00 H new ATOM 0 HB2 MET A 82 28.247 56.889 -26.816 1.00 0.00 H new ATOM 0 HB3 MET A 82 27.355 56.173 -28.144 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.833 54.817 -25.464 1.00 0.00 H new ATOM 0 HG3 MET A 82 26.391 55.727 -25.866 1.00 0.00 H new ATOM 0 HE1 MET A 82 27.915 51.817 -27.583 1.00 0.00 H new ATOM 0 HE2 MET A 82 28.585 52.809 -26.267 1.00 0.00 H new ATOM 0 HE3 MET A 82 27.318 51.608 -25.920 1.00 0.00 H new ATOM 1340 N GLY A 83 31.110 56.687 -28.661 1.00 0.00 N ATOM 1341 CA GLY A 83 31.861 57.478 -29.645 1.00 0.00 C ATOM 1342 C GLY A 83 32.263 56.732 -30.928 1.00 0.00 C ATOM 1343 O GLY A 83 32.559 57.378 -31.934 1.00 0.00 O ATOM 0 H GLY A 83 31.585 56.613 -27.761 1.00 0.00 H new ATOM 0 HA2 GLY A 83 31.261 58.345 -29.923 1.00 0.00 H new ATOM 0 HA3 GLY A 83 32.765 57.856 -29.167 1.00 0.00 H new ATOM 1347 N LEU A 84 32.276 55.389 -30.910 1.00 0.00 N ATOM 1348 CA LEU A 84 32.812 54.539 -31.987 1.00 0.00 C ATOM 1349 C LEU A 84 31.870 53.367 -32.340 1.00 0.00 C ATOM 1350 O LEU A 84 32.321 52.269 -32.667 1.00 0.00 O ATOM 1351 CB LEU A 84 34.253 54.069 -31.680 1.00 0.00 C ATOM 1352 CG LEU A 84 35.163 55.039 -30.898 1.00 0.00 C ATOM 1353 CD1 LEU A 84 35.046 54.790 -29.390 1.00 0.00 C ATOM 1354 CD2 LEU A 84 36.621 54.835 -31.289 1.00 0.00 C ATOM 0 H LEU A 84 31.905 54.851 -30.127 1.00 0.00 H new ATOM 0 HA LEU A 84 32.866 55.159 -32.882 1.00 0.00 H new ATOM 0 HB2 LEU A 84 34.191 53.137 -31.118 1.00 0.00 H new ATOM 0 HB3 LEU A 84 34.741 53.838 -32.627 1.00 0.00 H new ATOM 0 HG LEU A 84 34.844 56.053 -31.139 1.00 0.00 H new ATOM 0 HD11 LEU A 84 35.695 55.484 -28.855 1.00 0.00 H new ATOM 0 HD12 LEU A 84 34.014 54.943 -29.075 1.00 0.00 H new ATOM 0 HD13 LEU A 84 35.346 53.766 -29.166 1.00 0.00 H new ATOM 0 HD21 LEU A 84 37.249 55.527 -30.728 1.00 0.00 H new ATOM 0 HD22 LEU A 84 36.918 53.811 -31.063 1.00 0.00 H new ATOM 0 HD23 LEU A 84 36.741 55.020 -32.356 1.00 0.00 H new ATOM 1366 N GLN A 85 30.555 53.616 -32.289 1.00 0.00 N ATOM 1367 CA GLN A 85 29.464 52.692 -32.656 1.00 0.00 C ATOM 1368 C GLN A 85 29.744 51.693 -33.810 1.00 0.00 C ATOM 1369 O GLN A 85 29.427 50.512 -33.634 1.00 0.00 O ATOM 1370 CB GLN A 85 28.192 53.516 -32.941 1.00 0.00 C ATOM 1371 CG GLN A 85 27.337 53.752 -31.683 1.00 0.00 C ATOM 1372 CD GLN A 85 26.581 52.508 -31.205 1.00 0.00 C ATOM 1373 OE1 GLN A 85 26.434 51.506 -31.894 1.00 0.00 O ATOM 1374 NE2 GLN A 85 26.061 52.514 -29.998 1.00 0.00 N ATOM 0 H GLN A 85 30.199 54.518 -31.973 1.00 0.00 H new ATOM 0 HA GLN A 85 29.344 52.037 -31.793 1.00 0.00 H new ATOM 0 HB2 GLN A 85 28.476 54.478 -33.367 1.00 0.00 H new ATOM 0 HB3 GLN A 85 27.592 53.001 -33.691 1.00 0.00 H new ATOM 0 HG2 GLN A 85 27.982 54.105 -30.878 1.00 0.00 H new ATOM 0 HG3 GLN A 85 26.619 54.546 -31.887 1.00 0.00 H new ATOM 0 HE21 GLN A 85 26.167 53.334 -29.401 1.00 0.00 H new ATOM 0 HE22 GLN A 85 25.551 51.698 -29.658 1.00 0.00 H new ATOM 1383 N PRO A 86 30.342 52.077 -34.961 1.00 0.00 N ATOM 1384 CA PRO A 86 30.786 51.134 -35.997 1.00 0.00 C ATOM 1385 C PRO A 86 32.062 50.352 -35.592 1.00 0.00 C ATOM 1386 O PRO A 86 33.127 50.504 -36.197 1.00 0.00 O ATOM 1387 CB PRO A 86 30.939 51.981 -37.269 1.00 0.00 C ATOM 1388 CG PRO A 86 31.342 53.347 -36.724 1.00 0.00 C ATOM 1389 CD PRO A 86 30.524 53.447 -35.437 1.00 0.00 C ATOM 0 HA PRO A 86 30.064 50.333 -36.157 1.00 0.00 H new ATOM 0 HB2 PRO A 86 31.698 51.573 -37.937 1.00 0.00 H new ATOM 0 HB3 PRO A 86 30.009 52.031 -37.835 1.00 0.00 H new ATOM 0 HG2 PRO A 86 32.413 53.406 -36.529 1.00 0.00 H new ATOM 0 HG3 PRO A 86 31.100 54.149 -37.421 1.00 0.00 H new ATOM 0 HD2 PRO A 86 31.042 54.052 -34.693 1.00 0.00 H new ATOM 0 HD3 PRO A 86 29.562 53.925 -35.623 1.00 0.00 H new ATOM 1397 N TYR A 87 31.967 49.525 -34.544 1.00 0.00 N ATOM 1398 CA TYR A 87 33.027 48.620 -34.068 1.00 0.00 C ATOM 1399 C TYR A 87 33.488 47.589 -35.135 1.00 0.00 C ATOM 1400 O TYR A 87 32.699 47.216 -36.012 1.00 0.00 O ATOM 1401 CB TYR A 87 32.537 47.890 -32.805 1.00 0.00 C ATOM 1402 CG TYR A 87 32.550 48.721 -31.532 1.00 0.00 C ATOM 1403 CD1 TYR A 87 33.736 48.824 -30.777 1.00 0.00 C ATOM 1404 CD2 TYR A 87 31.374 49.348 -31.074 1.00 0.00 C ATOM 1405 CE1 TYR A 87 33.747 49.533 -29.560 1.00 0.00 C ATOM 1406 CE2 TYR A 87 31.382 50.067 -29.863 1.00 0.00 C ATOM 1407 CZ TYR A 87 32.563 50.150 -29.096 1.00 0.00 C ATOM 1408 OH TYR A 87 32.528 50.767 -27.885 1.00 0.00 O ATOM 0 H TYR A 87 31.119 49.463 -33.981 1.00 0.00 H new ATOM 0 HA TYR A 87 33.899 49.235 -33.846 1.00 0.00 H new ATOM 0 HB2 TYR A 87 31.520 47.538 -32.980 1.00 0.00 H new ATOM 0 HB3 TYR A 87 33.158 47.008 -32.650 1.00 0.00 H new ATOM 0 HD1 TYR A 87 34.642 48.356 -31.134 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.465 49.277 -31.653 1.00 0.00 H new ATOM 0 HE1 TYR A 87 34.657 49.605 -28.983 1.00 0.00 H new ATOM 0 HE2 TYR A 87 30.482 50.556 -29.521 1.00 0.00 H new ATOM 0 HH TYR A 87 32.267 51.704 -28.003 1.00 0.00 H new ATOM 1418 N PRO A 88 34.740 47.088 -35.059 1.00 0.00 N ATOM 1419 CA PRO A 88 35.309 46.086 -35.964 1.00 0.00 C ATOM 1420 C PRO A 88 35.065 44.644 -35.464 1.00 0.00 C ATOM 1421 O PRO A 88 34.458 44.414 -34.416 1.00 0.00 O ATOM 1422 CB PRO A 88 36.800 46.432 -35.978 1.00 0.00 C ATOM 1423 CG PRO A 88 37.059 46.804 -34.523 1.00 0.00 C ATOM 1424 CD PRO A 88 35.737 47.414 -34.051 1.00 0.00 C ATOM 0 HA PRO A 88 34.854 46.110 -36.954 1.00 0.00 H new ATOM 0 HB2 PRO A 88 37.411 45.587 -36.297 1.00 0.00 H new ATOM 0 HB3 PRO A 88 37.020 47.258 -36.655 1.00 0.00 H new ATOM 0 HG2 PRO A 88 37.328 45.930 -33.930 1.00 0.00 H new ATOM 0 HG3 PRO A 88 37.880 47.515 -34.434 1.00 0.00 H new ATOM 0 HD2 PRO A 88 35.450 47.011 -33.079 1.00 0.00 H new ATOM 0 HD3 PRO A 88 35.830 48.494 -33.934 1.00 0.00 H new ATOM 1432 N GLU A 89 35.573 43.648 -36.195 1.00 0.00 N ATOM 1433 CA GLU A 89 35.317 42.214 -35.961 1.00 0.00 C ATOM 1434 C GLU A 89 36.419 41.532 -35.112 1.00 0.00 C ATOM 1435 O GLU A 89 37.076 40.579 -35.534 1.00 0.00 O ATOM 1436 CB GLU A 89 35.038 41.543 -37.319 1.00 0.00 C ATOM 1437 CG GLU A 89 34.362 40.173 -37.179 1.00 0.00 C ATOM 1438 CD GLU A 89 33.858 39.666 -38.544 1.00 0.00 C ATOM 1439 OE1 GLU A 89 34.681 39.203 -39.372 1.00 0.00 O ATOM 1440 OE2 GLU A 89 32.629 39.721 -38.801 1.00 0.00 O ATOM 0 H GLU A 89 36.191 43.816 -36.989 1.00 0.00 H new ATOM 0 HA GLU A 89 34.429 42.093 -35.340 1.00 0.00 H new ATOM 0 HB2 GLU A 89 34.404 42.196 -37.918 1.00 0.00 H new ATOM 0 HB3 GLU A 89 35.977 41.426 -37.861 1.00 0.00 H new ATOM 0 HG2 GLU A 89 35.067 39.456 -36.758 1.00 0.00 H new ATOM 0 HG3 GLU A 89 33.527 40.245 -36.482 1.00 0.00 H new ATOM 1447 N ILE A 90 36.638 42.042 -33.895 1.00 0.00 N ATOM 1448 CA ILE A 90 37.677 41.596 -32.934 1.00 0.00 C ATOM 1449 C ILE A 90 37.178 40.520 -31.942 1.00 0.00 C ATOM 1450 O ILE A 90 37.426 40.607 -30.742 1.00 0.00 O ATOM 1451 CB ILE A 90 38.306 42.817 -32.216 1.00 0.00 C ATOM 1452 CG1 ILE A 90 37.283 43.703 -31.464 1.00 0.00 C ATOM 1453 CG2 ILE A 90 39.107 43.643 -33.233 1.00 0.00 C ATOM 1454 CD1 ILE A 90 37.538 43.783 -29.953 1.00 0.00 C ATOM 0 H ILE A 90 36.077 42.811 -33.528 1.00 0.00 H new ATOM 0 HA ILE A 90 38.457 41.100 -33.512 1.00 0.00 H new ATOM 0 HB ILE A 90 38.966 42.427 -31.441 1.00 0.00 H new ATOM 0 HG12 ILE A 90 37.308 44.709 -31.883 1.00 0.00 H new ATOM 0 HG13 ILE A 90 36.280 43.312 -31.635 1.00 0.00 H new ATOM 0 HG21 ILE A 90 39.552 44.503 -32.733 1.00 0.00 H new ATOM 0 HG22 ILE A 90 39.896 43.025 -33.663 1.00 0.00 H new ATOM 0 HG23 ILE A 90 38.443 43.987 -34.026 1.00 0.00 H new ATOM 0 HD11 ILE A 90 36.784 44.420 -29.490 1.00 0.00 H new ATOM 0 HD12 ILE A 90 37.484 42.784 -29.521 1.00 0.00 H new ATOM 0 HD13 ILE A 90 38.528 44.203 -29.773 1.00 0.00 H new