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 60 ASN : amide:sc= 0.603 K(o=1.4,f=-0.41) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.792 K(o=1.4,f=-0.41) USER MOD Set 2.1: A 55 THR OG1 : rot -79:sc= 2.37 USER MOD Set 2.2: A 57 SER OG : rot -38:sc= 1.19 USER MOD Set 3.1: A 22 THR OG1 : rot -78:sc= 1.27 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.77 K(o=3,f=-7.4!) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0.235 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.27 (180deg=1.95) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 1.2 (180deg=1.18) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.929) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.19) USER MOD Single : A 31 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.82) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00663) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 41 GLN : amide:sc= 1.05 K(o=1,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.406 USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.11) USER MOD Single : A 65 SER OG : rot 70:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.746 51.929 20.048 1.00 0.00 N ATOM 2 CA MET A 1 33.017 52.212 21.465 1.00 0.00 C ATOM 3 C MET A 1 34.494 52.565 21.656 1.00 0.00 C ATOM 4 O MET A 1 35.340 52.096 20.898 1.00 0.00 O ATOM 5 CB MET A 1 32.570 51.078 22.383 1.00 0.00 C ATOM 6 CG MET A 1 33.330 49.768 22.200 1.00 0.00 C ATOM 7 SD MET A 1 32.752 48.436 23.280 1.00 0.00 S ATOM 8 CE MET A 1 34.008 47.180 22.930 1.00 0.00 C ATOM 0 H1 MET A 1 31.720 51.841 19.902 1.00 0.00 H new ATOM 0 H2 MET A 1 33.114 52.706 19.462 1.00 0.00 H new ATOM 0 H3 MET A 1 33.212 51.040 19.776 1.00 0.00 H new ATOM 0 HA MET A 1 32.419 53.076 21.756 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.679 51.403 23.418 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.509 50.892 22.217 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.240 49.448 21.162 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.389 49.943 22.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.801 46.285 23.517 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.987 46.930 21.869 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.993 47.567 23.192 1.00 0.00 H new ATOM 20 N GLN A 2 34.798 53.353 22.682 1.00 0.00 N ATOM 21 CA GLN A 2 36.155 53.656 23.088 1.00 0.00 C ATOM 22 C GLN A 2 36.753 52.508 23.904 1.00 0.00 C ATOM 23 O GLN A 2 36.075 51.952 24.765 1.00 0.00 O ATOM 24 CB GLN A 2 36.207 54.959 23.881 1.00 0.00 C ATOM 25 CG GLN A 2 35.869 56.175 23.022 1.00 0.00 C ATOM 26 CD GLN A 2 36.040 57.501 23.766 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.977 58.263 23.543 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.132 57.858 24.671 1.00 0.00 N ATOM 0 H GLN A 2 34.091 53.805 23.262 1.00 0.00 H new ATOM 0 HA GLN A 2 36.753 53.780 22.185 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.509 54.902 24.716 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.203 55.083 24.306 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.506 56.176 22.138 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.840 56.091 22.673 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.345 57.242 24.874 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.223 58.747 25.162 1.00 0.00 H new ATOM 37 N ILE A 3 38.031 52.209 23.685 1.00 0.00 N ATOM 38 CA ILE A 3 38.868 51.481 24.616 1.00 0.00 C ATOM 39 C ILE A 3 40.217 52.190 24.753 1.00 0.00 C ATOM 40 O ILE A 3 40.635 52.918 23.856 1.00 0.00 O ATOM 41 CB ILE A 3 39.041 50.007 24.265 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.726 49.793 22.919 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.718 49.252 24.363 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.136 48.350 22.636 1.00 0.00 C ATOM 0 H ILE A 3 38.520 52.476 22.830 1.00 0.00 H new ATOM 0 HA ILE A 3 38.356 51.482 25.578 1.00 0.00 H new ATOM 0 HB ILE A 3 39.715 49.586 25.011 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.055 50.128 22.128 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.613 50.424 22.873 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.877 48.205 24.106 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.334 49.322 25.381 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.997 49.689 23.672 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.615 48.293 21.658 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.834 48.013 23.402 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.252 47.712 22.645 1.00 0.00 H new ATOM 56 N PHE A 4 40.913 51.949 25.861 1.00 0.00 N ATOM 57 CA PHE A 4 42.208 52.527 26.156 1.00 0.00 C ATOM 58 C PHE A 4 43.280 51.441 26.281 1.00 0.00 C ATOM 59 O PHE A 4 42.992 50.338 26.741 1.00 0.00 O ATOM 60 CB PHE A 4 42.127 53.383 27.416 1.00 0.00 C ATOM 61 CG PHE A 4 40.923 54.290 27.511 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.767 55.350 26.610 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.957 54.083 28.502 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.656 56.197 26.698 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.856 54.941 28.605 1.00 0.00 C ATOM 66 CZ PHE A 4 38.697 55.997 27.699 1.00 0.00 C ATOM 0 H PHE A 4 40.576 51.327 26.596 1.00 0.00 H new ATOM 0 HA PHE A 4 42.499 53.172 25.327 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.132 52.723 28.283 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.027 53.995 27.476 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.508 55.515 25.842 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.061 53.257 29.190 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.538 57.006 25.993 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.126 54.788 29.386 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.841 56.652 27.772 1.00 0.00 H new ATOM 76 N VAL A 5 44.519 51.740 25.904 1.00 0.00 N ATOM 77 CA VAL A 5 45.639 50.829 26.031 1.00 0.00 C ATOM 78 C VAL A 5 46.845 51.558 26.626 1.00 0.00 C ATOM 79 O VAL A 5 47.248 52.595 26.104 1.00 0.00 O ATOM 80 CB VAL A 5 46.010 50.156 24.713 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.954 48.985 24.965 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.807 49.613 23.947 1.00 0.00 C ATOM 0 H VAL A 5 44.772 52.640 25.495 1.00 0.00 H new ATOM 0 HA VAL A 5 45.328 50.032 26.706 1.00 0.00 H new ATOM 0 HB VAL A 5 46.480 50.934 24.112 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.211 48.514 24.016 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.862 49.347 25.448 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.465 48.256 25.611 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.145 49.148 23.021 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.291 48.872 24.558 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.124 50.430 23.715 1.00 0.00 H new ATOM 92 N LYS A 6 47.439 51.008 27.681 1.00 0.00 N ATOM 93 CA LYS A 6 48.663 51.511 28.273 1.00 0.00 C ATOM 94 C LYS A 6 49.892 50.844 27.653 1.00 0.00 C ATOM 95 O LYS A 6 49.956 49.620 27.565 1.00 0.00 O ATOM 96 CB LYS A 6 48.604 51.371 29.791 1.00 0.00 C ATOM 97 CG LYS A 6 49.779 52.085 30.455 1.00 0.00 C ATOM 98 CD LYS A 6 49.827 51.881 31.966 1.00 0.00 C ATOM 99 CE LYS A 6 51.181 52.391 32.451 1.00 0.00 C ATOM 100 NZ LYS A 6 51.473 52.016 33.843 1.00 0.00 N ATOM 0 H LYS A 6 47.071 50.183 28.154 1.00 0.00 H new ATOM 0 HA LYS A 6 48.760 52.574 28.053 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.666 51.785 30.161 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.615 50.315 30.063 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.710 51.726 30.016 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.716 53.152 30.240 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.016 52.423 32.453 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.702 50.827 32.216 1.00 0.00 H new ATOM 0 HE2 LYS A 6 51.964 51.998 31.803 1.00 0.00 H new ATOM 0 HE3 LYS A 6 51.208 53.477 32.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 52.404 52.390 34.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.744 52.413 34.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 51.477 50.980 33.930 1.00 0.00 H new ATOM 114 N THR A 7 50.872 51.645 27.246 1.00 0.00 N ATOM 115 CA THR A 7 52.131 51.191 26.690 1.00 0.00 C ATOM 116 C THR A 7 53.174 50.865 27.760 1.00 0.00 C ATOM 117 O THR A 7 53.011 51.219 28.926 1.00 0.00 O ATOM 118 CB THR A 7 52.699 52.175 25.672 1.00 0.00 C ATOM 119 OG1 THR A 7 53.257 53.309 26.298 1.00 0.00 O ATOM 120 CG2 THR A 7 51.673 52.636 24.640 1.00 0.00 C ATOM 0 H THR A 7 50.804 52.661 27.298 1.00 0.00 H new ATOM 0 HA THR A 7 51.899 50.261 26.171 1.00 0.00 H new ATOM 0 HB THR A 7 53.479 51.621 25.149 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.613 53.917 25.617 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.143 53.334 23.947 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.299 51.773 24.089 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.844 53.130 25.147 1.00 0.00 H new ATOM 128 N LEU A 8 54.268 50.205 27.391 1.00 0.00 N ATOM 129 CA LEU A 8 55.338 49.863 28.305 1.00 0.00 C ATOM 130 C LEU A 8 56.166 51.068 28.755 1.00 0.00 C ATOM 131 O LEU A 8 56.869 50.982 29.760 1.00 0.00 O ATOM 132 CB LEU A 8 56.216 48.794 27.660 1.00 0.00 C ATOM 133 CG LEU A 8 55.529 47.442 27.492 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.295 46.582 26.491 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.464 46.695 28.821 1.00 0.00 C ATOM 0 H LEU A 8 54.432 49.891 26.434 1.00 0.00 H new ATOM 0 HA LEU A 8 54.885 49.475 29.217 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.542 49.148 26.682 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.112 48.661 28.266 1.00 0.00 H new ATOM 0 HG LEU A 8 54.518 47.628 27.131 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.795 45.620 26.380 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.327 47.088 25.526 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.311 46.423 26.851 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.970 45.734 28.675 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.474 46.530 29.195 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.901 47.286 29.543 1.00 0.00 H new ATOM 147 N THR A 9 56.046 52.202 28.068 1.00 0.00 N ATOM 148 CA THR A 9 56.603 53.491 28.425 1.00 0.00 C ATOM 149 C THR A 9 55.560 54.460 28.987 1.00 0.00 C ATOM 150 O THR A 9 55.795 55.665 29.057 1.00 0.00 O ATOM 151 CB THR A 9 57.398 54.091 27.270 1.00 0.00 C ATOM 152 OG1 THR A 9 56.642 54.096 26.080 1.00 0.00 O ATOM 153 CG2 THR A 9 58.664 53.283 26.994 1.00 0.00 C ATOM 0 H THR A 9 55.523 52.240 27.193 1.00 0.00 H new ATOM 0 HA THR A 9 57.302 53.315 29.242 1.00 0.00 H new ATOM 0 HB THR A 9 57.651 55.109 27.566 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.174 54.487 25.356 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.210 53.734 26.166 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.293 53.278 27.884 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.393 52.259 26.735 1.00 0.00 H new ATOM 161 N GLY A 10 54.413 53.951 29.425 1.00 0.00 N ATOM 162 CA GLY A 10 53.444 54.673 30.224 1.00 0.00 C ATOM 163 C GLY A 10 52.461 55.567 29.466 1.00 0.00 C ATOM 164 O GLY A 10 51.684 56.267 30.110 1.00 0.00 O ATOM 0 H GLY A 10 54.128 52.992 29.224 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.870 53.948 30.801 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.986 55.292 30.939 1.00 0.00 H new ATOM 168 N LYS A 11 52.458 55.557 28.135 1.00 0.00 N ATOM 169 CA LYS A 11 51.541 56.334 27.327 1.00 0.00 C ATOM 170 C LYS A 11 50.143 55.714 27.352 1.00 0.00 C ATOM 171 O LYS A 11 50.021 54.491 27.303 1.00 0.00 O ATOM 172 CB LYS A 11 52.089 56.461 25.909 1.00 0.00 C ATOM 173 CG LYS A 11 51.389 57.513 25.054 1.00 0.00 C ATOM 174 CD LYS A 11 51.811 57.487 23.588 1.00 0.00 C ATOM 175 CE LYS A 11 53.298 57.763 23.383 1.00 0.00 C ATOM 176 NZ LYS A 11 53.648 57.830 21.956 1.00 0.00 N ATOM 0 H LYS A 11 53.108 54.996 27.584 1.00 0.00 H new ATOM 0 HA LYS A 11 51.449 57.338 27.742 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.151 56.702 25.963 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.007 55.494 25.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.311 57.361 25.116 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.596 58.501 25.466 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.568 56.513 23.164 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.232 58.228 23.037 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.564 58.703 23.867 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.883 56.980 23.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.682 57.797 21.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.223 57.023 21.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.286 58.717 21.551 1.00 0.00 H new ATOM 190 N THR A 12 49.100 56.539 27.369 1.00 0.00 N ATOM 191 CA THR A 12 47.732 56.115 27.152 1.00 0.00 C ATOM 192 C THR A 12 47.350 56.307 25.684 1.00 0.00 C ATOM 193 O THR A 12 47.305 57.433 25.194 1.00 0.00 O ATOM 194 CB THR A 12 46.750 56.863 28.049 1.00 0.00 C ATOM 195 OG1 THR A 12 47.071 56.684 29.410 1.00 0.00 O ATOM 196 CG2 THR A 12 45.312 56.385 27.870 1.00 0.00 C ATOM 0 H THR A 12 49.191 57.541 27.538 1.00 0.00 H new ATOM 0 HA THR A 12 47.673 55.058 27.411 1.00 0.00 H new ATOM 0 HB THR A 12 46.830 57.910 27.756 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.429 57.174 29.965 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.656 56.950 28.532 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.004 56.538 26.836 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.248 55.325 28.115 1.00 0.00 H new ATOM 204 N ILE A 13 47.044 55.202 25.008 1.00 0.00 N ATOM 205 CA ILE A 13 46.450 55.146 23.687 1.00 0.00 C ATOM 206 C ILE A 13 44.928 55.085 23.821 1.00 0.00 C ATOM 207 O ILE A 13 44.428 54.365 24.683 1.00 0.00 O ATOM 208 CB ILE A 13 46.964 53.923 22.932 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.474 53.708 22.983 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.503 53.939 21.478 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.330 54.848 22.440 1.00 0.00 C ATOM 0 H ILE A 13 47.216 54.274 25.394 1.00 0.00 H new ATOM 0 HA ILE A 13 46.727 56.039 23.126 1.00 0.00 H new ATOM 0 HB ILE A 13 46.524 53.081 23.466 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.760 53.526 24.019 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.711 52.803 22.423 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.884 53.056 20.966 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.414 53.937 21.442 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.881 54.835 20.986 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.384 54.585 22.527 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.084 55.020 21.392 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.134 55.755 23.012 1.00 0.00 H new ATOM 223 N THR A 14 44.188 55.775 22.958 1.00 0.00 N ATOM 224 CA THR A 14 42.742 55.732 22.873 1.00 0.00 C ATOM 225 C THR A 14 42.316 55.271 21.478 1.00 0.00 C ATOM 226 O THR A 14 42.744 55.853 20.485 1.00 0.00 O ATOM 227 CB THR A 14 42.136 57.091 23.210 1.00 0.00 C ATOM 228 OG1 THR A 14 42.508 57.493 24.509 1.00 0.00 O ATOM 229 CG2 THR A 14 40.611 57.084 23.166 1.00 0.00 C ATOM 0 H THR A 14 44.603 56.405 22.272 1.00 0.00 H new ATOM 0 HA THR A 14 42.369 55.016 23.605 1.00 0.00 H new ATOM 0 HB THR A 14 42.517 57.778 22.454 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.112 58.367 24.707 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.235 58.077 23.414 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.277 56.809 22.165 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.230 56.361 23.887 1.00 0.00 H new ATOM 237 N LEU A 15 41.506 54.216 21.406 1.00 0.00 N ATOM 238 CA LEU A 15 41.118 53.535 20.187 1.00 0.00 C ATOM 239 C LEU A 15 39.600 53.466 20.006 1.00 0.00 C ATOM 240 O LEU A 15 38.836 53.616 20.956 1.00 0.00 O ATOM 241 CB LEU A 15 41.703 52.126 20.182 1.00 0.00 C ATOM 242 CG LEU A 15 43.221 52.010 20.287 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.630 50.541 20.282 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.927 52.713 19.131 1.00 0.00 C ATOM 0 H LEU A 15 41.087 53.799 22.237 1.00 0.00 H new ATOM 0 HA LEU A 15 41.513 54.114 19.352 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.262 51.572 21.011 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.387 51.631 19.264 1.00 0.00 H new ATOM 0 HG LEU A 15 43.518 52.490 21.220 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.715 50.465 20.357 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.171 50.033 21.130 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.297 50.074 19.355 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.006 52.606 19.245 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.615 52.265 18.188 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.665 53.771 19.134 1.00 0.00 H new ATOM 256 N GLU A 16 39.165 53.199 18.779 1.00 0.00 N ATOM 257 CA GLU A 16 37.790 52.948 18.394 1.00 0.00 C ATOM 258 C GLU A 16 37.640 51.508 17.898 1.00 0.00 C ATOM 259 O GLU A 16 38.416 51.057 17.059 1.00 0.00 O ATOM 260 CB GLU A 16 37.381 53.963 17.330 1.00 0.00 C ATOM 261 CG GLU A 16 35.972 53.781 16.774 1.00 0.00 C ATOM 262 CD GLU A 16 34.871 54.009 17.811 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.849 55.073 18.466 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.958 53.165 17.941 1.00 0.00 O ATOM 0 H GLU A 16 39.803 53.150 17.985 1.00 0.00 H new ATOM 0 HA GLU A 16 37.128 53.065 19.252 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.462 54.964 17.754 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.091 53.908 16.505 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.826 54.472 15.943 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.877 52.773 16.371 1.00 0.00 H new ATOM 271 N VAL A 17 36.667 50.784 18.446 1.00 0.00 N ATOM 272 CA VAL A 17 36.396 49.384 18.193 1.00 0.00 C ATOM 273 C VAL A 17 34.898 49.079 18.233 1.00 0.00 C ATOM 274 O VAL A 17 34.132 49.808 18.860 1.00 0.00 O ATOM 275 CB VAL A 17 37.101 48.485 19.205 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.621 48.563 19.109 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.691 48.772 20.647 1.00 0.00 C ATOM 0 H VAL A 17 36.013 51.188 19.116 1.00 0.00 H new ATOM 0 HA VAL A 17 36.778 49.178 17.193 1.00 0.00 H new ATOM 0 HB VAL A 17 36.778 47.479 18.939 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.067 47.903 19.853 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.939 48.255 18.113 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.945 49.587 19.293 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.227 48.100 21.318 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.935 49.805 20.896 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.618 48.616 20.758 1.00 0.00 H new ATOM 287 N GLU A 18 34.483 47.961 17.644 1.00 0.00 N ATOM 288 CA GLU A 18 33.232 47.299 17.960 1.00 0.00 C ATOM 289 C GLU A 18 33.476 46.090 18.866 1.00 0.00 C ATOM 290 O GLU A 18 34.551 45.500 18.795 1.00 0.00 O ATOM 291 CB GLU A 18 32.527 46.840 16.688 1.00 0.00 C ATOM 292 CG GLU A 18 32.052 47.963 15.769 1.00 0.00 C ATOM 293 CD GLU A 18 30.956 48.805 16.425 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.762 48.454 16.311 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.273 49.844 17.042 1.00 0.00 O ATOM 0 H GLU A 18 35.021 47.485 16.920 1.00 0.00 H new ATOM 0 HA GLU A 18 32.598 48.017 18.481 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.205 46.196 16.128 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.667 46.232 16.967 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.896 48.602 15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.676 47.537 14.838 1.00 0.00 H new ATOM 302 N PRO A 19 32.511 45.616 19.649 1.00 0.00 N ATOM 303 CA PRO A 19 32.607 44.355 20.356 1.00 0.00 C ATOM 304 C PRO A 19 32.918 43.136 19.483 1.00 0.00 C ATOM 305 O PRO A 19 33.381 42.115 19.988 1.00 0.00 O ATOM 306 CB PRO A 19 31.268 44.176 21.065 1.00 0.00 C ATOM 307 CG PRO A 19 30.788 45.609 21.276 1.00 0.00 C ATOM 308 CD PRO A 19 31.295 46.311 20.021 1.00 0.00 C ATOM 0 HA PRO A 19 33.457 44.404 21.037 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.566 43.602 20.460 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.381 43.646 22.011 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.703 45.666 21.363 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.204 46.048 22.183 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.557 46.264 19.221 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.490 47.366 20.214 1.00 0.00 H new ATOM 316 N SER A 20 32.674 43.243 18.180 1.00 0.00 N ATOM 317 CA SER A 20 32.960 42.262 17.153 1.00 0.00 C ATOM 318 C SER A 20 34.326 42.403 16.477 1.00 0.00 C ATOM 319 O SER A 20 34.650 41.584 15.620 1.00 0.00 O ATOM 320 CB SER A 20 31.829 42.289 16.130 1.00 0.00 C ATOM 321 OG SER A 20 31.559 43.604 15.698 1.00 0.00 O ATOM 0 H SER A 20 32.240 44.081 17.793 1.00 0.00 H new ATOM 0 HA SER A 20 33.017 41.293 17.650 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.096 41.670 15.273 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.930 41.856 16.568 1.00 0.00 H new ATOM 0 HG SER A 20 30.831 43.590 15.042 1.00 0.00 H new ATOM 327 N ASP A 21 35.146 43.386 16.838 1.00 0.00 N ATOM 328 CA ASP A 21 36.542 43.421 16.452 1.00 0.00 C ATOM 329 C ASP A 21 37.334 42.307 17.139 1.00 0.00 C ATOM 330 O ASP A 21 37.039 41.919 18.268 1.00 0.00 O ATOM 331 CB ASP A 21 37.183 44.773 16.756 1.00 0.00 C ATOM 332 CG ASP A 21 37.042 45.762 15.598 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.814 45.635 14.624 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.184 46.670 15.652 1.00 0.00 O ATOM 0 H ASP A 21 34.854 44.180 17.408 1.00 0.00 H new ATOM 0 HA ASP A 21 36.573 43.264 15.374 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.724 45.197 17.649 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.240 44.628 16.979 1.00 0.00 H new ATOM 339 N THR A 22 38.370 41.809 16.472 1.00 0.00 N ATOM 340 CA THR A 22 39.272 40.811 17.015 1.00 0.00 C ATOM 341 C THR A 22 40.396 41.421 17.854 1.00 0.00 C ATOM 342 O THR A 22 40.757 42.580 17.666 1.00 0.00 O ATOM 343 CB THR A 22 39.837 39.863 15.960 1.00 0.00 C ATOM 344 OG1 THR A 22 40.730 40.524 15.092 1.00 0.00 O ATOM 345 CG2 THR A 22 38.759 39.209 15.102 1.00 0.00 C ATOM 0 H THR A 22 38.607 42.096 15.522 1.00 0.00 H new ATOM 0 HA THR A 22 38.650 40.212 17.680 1.00 0.00 H new ATOM 0 HB THR A 22 40.355 39.091 16.529 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.222 41.046 14.436 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.226 38.548 14.372 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.088 38.631 15.738 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.191 39.980 14.581 1.00 0.00 H new ATOM 353 N ILE A 23 41.019 40.625 18.718 1.00 0.00 N ATOM 354 CA ILE A 23 42.215 41.034 19.427 1.00 0.00 C ATOM 355 C ILE A 23 43.320 41.405 18.437 1.00 0.00 C ATOM 356 O ILE A 23 44.065 42.359 18.651 1.00 0.00 O ATOM 357 CB ILE A 23 42.663 39.942 20.395 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.552 39.424 21.304 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.850 40.391 21.241 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.708 40.485 22.002 1.00 0.00 C ATOM 0 H ILE A 23 40.705 39.681 18.942 1.00 0.00 H new ATOM 0 HA ILE A 23 41.991 41.922 20.018 1.00 0.00 H new ATOM 0 HB ILE A 23 42.964 39.112 19.756 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.889 38.794 20.711 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.001 38.787 22.066 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.140 39.587 21.917 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.689 40.637 20.590 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.571 41.270 21.821 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.952 40.000 22.620 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.348 41.104 22.631 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.219 41.111 21.255 1.00 0.00 H new ATOM 372 N GLU A 24 43.379 40.736 17.289 1.00 0.00 N ATOM 373 CA GLU A 24 44.304 41.046 16.217 1.00 0.00 C ATOM 374 C GLU A 24 43.989 42.357 15.496 1.00 0.00 C ATOM 375 O GLU A 24 44.907 43.012 15.007 1.00 0.00 O ATOM 376 CB GLU A 24 44.346 39.846 15.275 1.00 0.00 C ATOM 377 CG GLU A 24 45.500 39.907 14.278 1.00 0.00 C ATOM 378 CD GLU A 24 45.645 38.629 13.450 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.415 38.648 12.466 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.064 37.573 13.783 1.00 0.00 O ATOM 0 H GLU A 24 42.769 39.946 17.079 1.00 0.00 H new ATOM 0 HA GLU A 24 45.294 41.219 16.640 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.430 38.932 15.864 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.405 39.787 14.729 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.348 40.752 13.607 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.429 40.091 14.817 1.00 0.00 H new ATOM 387 N ASN A 25 42.739 42.809 15.470 1.00 0.00 N ATOM 388 CA ASN A 25 42.403 44.150 15.037 1.00 0.00 C ATOM 389 C ASN A 25 42.894 45.194 16.041 1.00 0.00 C ATOM 390 O ASN A 25 43.408 46.231 15.628 1.00 0.00 O ATOM 391 CB ASN A 25 40.909 44.318 14.770 1.00 0.00 C ATOM 392 CG ASN A 25 40.334 43.434 13.661 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.521 42.547 13.910 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.733 43.622 12.406 1.00 0.00 N ATOM 0 H ASN A 25 41.933 42.250 15.750 1.00 0.00 H new ATOM 0 HA ASN A 25 42.919 44.311 14.090 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.367 44.111 15.693 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.718 45.360 14.515 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.364 43.032 11.660 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.408 44.356 12.190 1.00 0.00 H new ATOM 401 N VAL A 26 42.815 44.934 17.344 1.00 0.00 N ATOM 402 CA VAL A 26 43.381 45.813 18.346 1.00 0.00 C ATOM 403 C VAL A 26 44.906 45.875 18.245 1.00 0.00 C ATOM 404 O VAL A 26 45.455 46.975 18.229 1.00 0.00 O ATOM 405 CB VAL A 26 42.908 45.464 19.754 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.486 46.419 20.796 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.388 45.571 19.837 1.00 0.00 C ATOM 0 H VAL A 26 42.356 44.108 17.727 1.00 0.00 H new ATOM 0 HA VAL A 26 43.008 46.816 18.138 1.00 0.00 H new ATOM 0 HB VAL A 26 43.246 44.448 19.959 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.126 46.138 21.786 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.574 46.364 20.776 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.170 47.438 20.571 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.060 45.320 20.846 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.081 46.589 19.599 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.935 44.880 19.126 1.00 0.00 H new ATOM 417 N LYS A 27 45.588 44.752 18.042 1.00 0.00 N ATOM 418 CA LYS A 27 47.009 44.736 17.758 1.00 0.00 C ATOM 419 C LYS A 27 47.377 45.567 16.527 1.00 0.00 C ATOM 420 O LYS A 27 48.364 46.299 16.559 1.00 0.00 O ATOM 421 CB LYS A 27 47.528 43.315 17.557 1.00 0.00 C ATOM 422 CG LYS A 27 47.561 42.445 18.811 1.00 0.00 C ATOM 423 CD LYS A 27 48.183 41.099 18.443 1.00 0.00 C ATOM 424 CE LYS A 27 48.435 40.197 19.647 1.00 0.00 C ATOM 425 NZ LYS A 27 49.113 38.965 19.216 1.00 0.00 N ATOM 0 H LYS A 27 45.163 43.825 18.071 1.00 0.00 H new ATOM 0 HA LYS A 27 47.482 45.182 18.633 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.906 42.822 16.810 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.536 43.370 17.147 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.142 42.930 19.595 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.553 42.304 19.202 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.526 40.583 17.743 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.126 41.273 17.925 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.046 40.720 20.383 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.491 39.952 20.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.086 38.266 19.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.631 38.578 18.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.102 39.179 18.977 1.00 0.00 H new ATOM 439 N ALA A 28 46.589 45.491 15.458 1.00 0.00 N ATOM 440 CA ALA A 28 46.794 46.282 14.261 1.00 0.00 C ATOM 441 C ALA A 28 46.574 47.778 14.494 1.00 0.00 C ATOM 442 O ALA A 28 47.373 48.585 14.026 1.00 0.00 O ATOM 443 CB ALA A 28 45.894 45.746 13.151 1.00 0.00 C ATOM 0 H ALA A 28 45.782 44.869 15.404 1.00 0.00 H new ATOM 0 HA ALA A 28 47.838 46.186 13.962 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.042 46.336 12.246 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.145 44.704 12.950 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.852 45.815 13.463 1.00 0.00 H new ATOM 449 N LYS A 29 45.568 48.168 15.271 1.00 0.00 N ATOM 450 CA LYS A 29 45.330 49.542 15.668 1.00 0.00 C ATOM 451 C LYS A 29 46.479 50.097 16.513 1.00 0.00 C ATOM 452 O LYS A 29 46.834 51.263 16.354 1.00 0.00 O ATOM 453 CB LYS A 29 43.998 49.654 16.406 1.00 0.00 C ATOM 454 CG LYS A 29 42.773 49.440 15.522 1.00 0.00 C ATOM 455 CD LYS A 29 41.516 49.178 16.346 1.00 0.00 C ATOM 456 CE LYS A 29 40.348 48.720 15.478 1.00 0.00 C ATOM 457 NZ LYS A 29 39.622 49.833 14.847 1.00 0.00 N ATOM 0 H LYS A 29 44.881 47.516 15.649 1.00 0.00 H new ATOM 0 HA LYS A 29 45.279 50.149 14.764 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.981 48.923 17.214 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.932 50.640 16.866 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.620 50.318 14.895 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.951 48.598 14.853 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.728 48.419 17.099 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.237 50.086 16.880 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.721 48.052 14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.654 48.143 16.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.931 49.456 14.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.126 50.382 15.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.296 50.449 14.349 1.00 0.00 H new ATOM 471 N ILE A 30 47.110 49.271 17.342 1.00 0.00 N ATOM 472 CA ILE A 30 48.307 49.599 18.090 1.00 0.00 C ATOM 473 C ILE A 30 49.527 49.741 17.178 1.00 0.00 C ATOM 474 O ILE A 30 50.353 50.619 17.413 1.00 0.00 O ATOM 475 CB ILE A 30 48.516 48.589 19.215 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.430 48.737 20.278 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.891 48.715 19.865 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.326 47.535 21.213 1.00 0.00 C ATOM 0 H ILE A 30 46.785 48.320 17.514 1.00 0.00 H new ATOM 0 HA ILE A 30 48.174 50.577 18.552 1.00 0.00 H new ATOM 0 HB ILE A 30 48.454 47.599 18.762 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.630 49.631 20.869 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.469 48.889 19.786 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.988 47.974 20.658 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.664 48.547 19.116 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.004 49.714 20.286 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.535 47.709 21.942 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.095 46.642 20.633 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.274 47.395 21.733 1.00 0.00 H new ATOM 490 N GLN A 31 49.646 48.952 16.113 1.00 0.00 N ATOM 491 CA GLN A 31 50.696 49.104 15.126 1.00 0.00 C ATOM 492 C GLN A 31 50.582 50.425 14.363 1.00 0.00 C ATOM 493 O GLN A 31 51.598 51.073 14.120 1.00 0.00 O ATOM 494 CB GLN A 31 50.716 47.892 14.197 1.00 0.00 C ATOM 495 CG GLN A 31 51.964 47.825 13.322 1.00 0.00 C ATOM 496 CD GLN A 31 52.092 46.518 12.536 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.126 45.811 12.255 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.309 46.128 12.170 1.00 0.00 N ATOM 0 H GLN A 31 49.006 48.183 15.915 1.00 0.00 H new ATOM 0 HA GLN A 31 51.654 49.147 15.645 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.650 46.983 14.795 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.833 47.918 13.558 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.952 48.660 12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.846 47.949 13.951 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.119 46.705 12.397 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.433 45.252 11.663 1.00 0.00 H new ATOM 507 N ASP A 32 49.370 50.880 14.060 1.00 0.00 N ATOM 508 CA ASP A 32 49.127 52.183 13.473 1.00 0.00 C ATOM 509 C ASP A 32 49.573 53.335 14.376 1.00 0.00 C ATOM 510 O ASP A 32 50.177 54.288 13.889 1.00 0.00 O ATOM 511 CB ASP A 32 47.650 52.307 13.110 1.00 0.00 C ATOM 512 CG ASP A 32 47.338 53.601 12.356 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.844 54.576 12.962 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.567 53.650 11.128 1.00 0.00 O ATOM 0 H ASP A 32 48.519 50.341 14.220 1.00 0.00 H new ATOM 0 HA ASP A 32 49.733 52.260 12.571 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.357 51.454 12.498 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.051 52.267 14.020 1.00 0.00 H new ATOM 519 N LYS A 33 49.329 53.242 15.680 1.00 0.00 N ATOM 520 CA LYS A 33 49.738 54.221 16.666 1.00 0.00 C ATOM 521 C LYS A 33 51.247 54.220 16.920 1.00 0.00 C ATOM 522 O LYS A 33 51.918 55.235 16.750 1.00 0.00 O ATOM 523 CB LYS A 33 48.987 53.990 17.974 1.00 0.00 C ATOM 524 CG LYS A 33 47.495 54.305 17.927 1.00 0.00 C ATOM 525 CD LYS A 33 47.181 55.784 18.137 1.00 0.00 C ATOM 526 CE LYS A 33 45.686 56.044 18.297 1.00 0.00 C ATOM 527 NZ LYS A 33 44.938 55.697 17.079 1.00 0.00 N ATOM 0 H LYS A 33 48.824 52.455 16.087 1.00 0.00 H new ATOM 0 HA LYS A 33 49.488 55.201 16.261 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.114 52.948 18.269 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.447 54.599 18.752 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.095 53.989 16.964 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.983 53.720 18.692 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.706 56.142 19.023 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.558 56.357 17.290 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.304 55.463 19.136 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.523 57.095 18.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.931 55.919 17.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.308 56.245 16.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.045 54.681 16.884 1.00 0.00 H new ATOM 541 N GLU A 34 51.790 53.089 17.365 1.00 0.00 N ATOM 542 CA GLU A 34 53.093 52.979 17.990 1.00 0.00 C ATOM 543 C GLU A 34 54.095 52.128 17.208 1.00 0.00 C ATOM 544 O GLU A 34 55.255 52.035 17.604 1.00 0.00 O ATOM 545 CB GLU A 34 52.913 52.423 19.399 1.00 0.00 C ATOM 546 CG GLU A 34 52.217 53.355 20.387 1.00 0.00 C ATOM 547 CD GLU A 34 53.107 54.524 20.814 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.050 54.307 21.606 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.858 55.669 20.380 1.00 0.00 O ATOM 0 H GLU A 34 51.310 52.192 17.294 1.00 0.00 H new ATOM 0 HA GLU A 34 53.522 53.981 18.012 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.342 51.497 19.335 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.894 52.166 19.798 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.304 53.743 19.935 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.919 52.788 21.269 1.00 0.00 H new ATOM 556 N GLY A 35 53.688 51.473 16.124 1.00 0.00 N ATOM 557 CA GLY A 35 54.567 50.694 15.276 1.00 0.00 C ATOM 558 C GLY A 35 54.971 49.322 15.818 1.00 0.00 C ATOM 559 O GLY A 35 55.857 48.684 15.252 1.00 0.00 O ATOM 0 H GLY A 35 52.718 51.473 15.810 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.079 50.553 14.311 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.472 51.273 15.094 1.00 0.00 H new ATOM 563 N ILE A 36 54.338 48.843 16.885 1.00 0.00 N ATOM 564 CA ILE A 36 54.644 47.580 17.525 1.00 0.00 C ATOM 565 C ILE A 36 54.057 46.433 16.699 1.00 0.00 C ATOM 566 O ILE A 36 52.841 46.404 16.528 1.00 0.00 O ATOM 567 CB ILE A 36 54.136 47.539 18.962 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.512 48.787 19.757 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.675 46.291 19.654 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.979 48.815 21.187 1.00 0.00 C ATOM 0 H ILE A 36 53.574 49.344 17.338 1.00 0.00 H new ATOM 0 HA ILE A 36 55.727 47.468 17.571 1.00 0.00 H new ATOM 0 HB ILE A 36 53.047 47.508 18.925 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.599 48.869 19.787 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.140 49.664 19.228 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.313 46.260 20.682 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.333 45.403 19.122 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.765 46.317 19.654 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.295 49.737 21.675 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.890 48.768 21.170 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.371 47.960 21.738 1.00 0.00 H new ATOM 582 N PRO A 37 54.832 45.469 16.210 1.00 0.00 N ATOM 583 CA PRO A 37 54.309 44.376 15.414 1.00 0.00 C ATOM 584 C PRO A 37 53.345 43.477 16.191 1.00 0.00 C ATOM 585 O PRO A 37 53.672 43.101 17.315 1.00 0.00 O ATOM 586 CB PRO A 37 55.516 43.583 14.924 1.00 0.00 C ATOM 587 CG PRO A 37 56.663 44.587 14.990 1.00 0.00 C ATOM 588 CD PRO A 37 56.281 45.422 16.209 1.00 0.00 C ATOM 0 HA PRO A 37 53.722 44.774 14.586 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.707 42.715 15.555 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.366 43.213 13.910 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.628 44.097 15.117 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.729 45.191 14.085 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.659 44.972 17.127 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.706 46.424 16.147 1.00 0.00 H new ATOM 596 N PRO A 38 52.211 43.061 15.636 1.00 0.00 N ATOM 597 CA PRO A 38 51.296 42.118 16.247 1.00 0.00 C ATOM 598 C PRO A 38 51.919 40.811 16.742 1.00 0.00 C ATOM 599 O PRO A 38 51.487 40.287 17.765 1.00 0.00 O ATOM 600 CB PRO A 38 50.235 41.851 15.183 1.00 0.00 C ATOM 601 CG PRO A 38 50.133 43.199 14.476 1.00 0.00 C ATOM 602 CD PRO A 38 51.589 43.655 14.469 1.00 0.00 C ATOM 0 HA PRO A 38 50.900 42.554 17.164 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.535 41.056 14.500 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.284 41.551 15.624 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.729 43.103 13.468 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.489 43.895 15.013 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.092 43.335 13.556 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.655 44.742 14.505 1.00 0.00 H new ATOM 610 N ASP A 39 52.972 40.322 16.092 1.00 0.00 N ATOM 611 CA ASP A 39 53.721 39.158 16.518 1.00 0.00 C ATOM 612 C ASP A 39 54.678 39.402 17.687 1.00 0.00 C ATOM 613 O ASP A 39 55.167 38.446 18.283 1.00 0.00 O ATOM 614 CB ASP A 39 54.435 38.524 15.327 1.00 0.00 C ATOM 615 CG ASP A 39 55.705 39.272 14.919 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.610 40.368 14.325 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.815 38.755 15.171 1.00 0.00 O ATOM 0 H ASP A 39 53.332 40.740 15.234 1.00 0.00 H new ATOM 0 HA ASP A 39 52.985 38.458 16.915 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.691 37.493 15.572 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.752 38.490 14.478 1.00 0.00 H new ATOM 622 N GLN A 40 54.932 40.655 18.054 1.00 0.00 N ATOM 623 CA GLN A 40 55.674 41.050 19.233 1.00 0.00 C ATOM 624 C GLN A 40 54.773 41.503 20.384 1.00 0.00 C ATOM 625 O GLN A 40 55.259 41.731 21.488 1.00 0.00 O ATOM 626 CB GLN A 40 56.692 42.127 18.866 1.00 0.00 C ATOM 627 CG GLN A 40 57.712 41.654 17.835 1.00 0.00 C ATOM 628 CD GLN A 40 58.859 42.640 17.607 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.873 43.773 18.082 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.879 42.240 16.853 1.00 0.00 N ATOM 0 H GLN A 40 54.609 41.454 17.508 1.00 0.00 H new ATOM 0 HA GLN A 40 56.200 40.168 19.599 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.166 42.999 18.476 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.215 42.447 19.767 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.125 40.698 18.158 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.203 41.478 16.888 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.880 41.302 16.453 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.660 42.871 16.675 1.00 0.00 H new ATOM 639 N GLN A 41 53.467 41.622 20.160 1.00 0.00 N ATOM 640 CA GLN A 41 52.488 42.007 21.157 1.00 0.00 C ATOM 641 C GLN A 41 51.894 40.793 21.876 1.00 0.00 C ATOM 642 O GLN A 41 51.343 39.907 21.229 1.00 0.00 O ATOM 643 CB GLN A 41 51.369 42.831 20.524 1.00 0.00 C ATOM 644 CG GLN A 41 51.781 44.217 20.041 1.00 0.00 C ATOM 645 CD GLN A 41 50.606 44.965 19.407 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.532 45.077 19.995 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.717 45.488 18.188 1.00 0.00 N ATOM 0 H GLN A 41 53.053 41.445 19.245 1.00 0.00 H new ATOM 0 HA GLN A 41 53.009 42.614 21.897 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.962 42.275 19.679 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.564 42.941 21.251 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.171 44.794 20.880 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.589 44.125 19.315 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.597 45.410 17.678 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.922 45.967 17.764 1.00 0.00 H new ATOM 656 N ARG A 42 51.913 40.793 23.206 1.00 0.00 N ATOM 657 CA ARG A 42 50.894 40.161 24.020 1.00 0.00 C ATOM 658 C ARG A 42 49.956 41.258 24.528 1.00 0.00 C ATOM 659 O ARG A 42 50.445 42.261 25.045 1.00 0.00 O ATOM 660 CB ARG A 42 51.486 39.417 25.214 1.00 0.00 C ATOM 661 CG ARG A 42 52.557 38.369 24.926 1.00 0.00 C ATOM 662 CD ARG A 42 52.880 37.592 26.199 1.00 0.00 C ATOM 663 NE ARG A 42 54.014 36.682 26.034 1.00 0.00 N ATOM 664 CZ ARG A 42 53.995 35.425 25.570 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.870 34.801 25.197 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.142 34.749 25.421 1.00 0.00 N ATOM 0 H ARG A 42 52.650 41.240 23.751 1.00 0.00 H new ATOM 0 HA ARG A 42 50.367 39.427 23.411 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.911 40.155 25.894 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.669 38.927 25.745 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.210 37.686 24.151 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.457 38.852 24.546 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.098 38.295 27.003 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.003 37.021 26.503 1.00 0.00 H new ATOM 0 HE ARG A 42 54.927 37.048 26.304 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.974 35.284 25.260 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.909 33.843 24.850 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.029 35.191 25.661 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.128 33.792 25.068 1.00 0.00 H new ATOM 680 N LEU A 43 48.642 41.088 24.418 1.00 0.00 N ATOM 681 CA LEU A 43 47.650 41.971 24.998 1.00 0.00 C ATOM 682 C LEU A 43 46.975 41.340 26.217 1.00 0.00 C ATOM 683 O LEU A 43 46.796 40.125 26.271 1.00 0.00 O ATOM 684 CB LEU A 43 46.634 42.412 23.950 1.00 0.00 C ATOM 685 CG LEU A 43 47.194 43.186 22.759 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.055 43.666 21.864 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.998 44.410 23.185 1.00 0.00 C ATOM 0 H LEU A 43 48.231 40.307 23.906 1.00 0.00 H new ATOM 0 HA LEU A 43 48.166 42.864 25.352 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.122 41.526 23.574 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.882 43.031 24.439 1.00 0.00 H new ATOM 0 HG LEU A 43 47.853 42.500 22.227 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.465 44.217 21.017 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.492 42.807 21.499 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.393 44.318 22.435 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.374 44.925 22.301 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.359 45.085 23.754 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.837 44.096 23.806 1.00 0.00 H new ATOM 699 N ILE A 44 46.636 42.173 27.198 1.00 0.00 N ATOM 700 CA ILE A 44 46.123 41.791 28.498 1.00 0.00 C ATOM 701 C ILE A 44 44.938 42.682 28.879 1.00 0.00 C ATOM 702 O ILE A 44 44.988 43.897 28.706 1.00 0.00 O ATOM 703 CB ILE A 44 47.221 41.828 29.557 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.469 41.072 29.111 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.711 41.289 30.890 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.613 40.998 30.117 1.00 0.00 C ATOM 0 H ILE A 44 46.719 43.184 27.095 1.00 0.00 H new ATOM 0 HA ILE A 44 45.769 40.762 28.444 1.00 0.00 H new ATOM 0 HB ILE A 44 47.503 42.872 29.692 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.177 40.055 28.850 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.844 41.539 28.201 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.512 41.326 31.628 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.874 41.898 31.232 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.382 40.258 30.763 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.442 40.437 29.685 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.947 42.006 30.363 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.269 40.498 31.023 1.00 0.00 H new ATOM 718 N PHE A 45 43.882 42.084 29.421 1.00 0.00 N ATOM 719 CA PHE A 45 42.749 42.753 30.027 1.00 0.00 C ATOM 720 C PHE A 45 42.320 42.038 31.309 1.00 0.00 C ATOM 721 O PHE A 45 42.199 40.815 31.305 1.00 0.00 O ATOM 722 CB PHE A 45 41.587 42.788 29.037 1.00 0.00 C ATOM 723 CG PHE A 45 40.263 43.197 29.636 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.057 44.506 30.086 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.241 42.250 29.776 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.831 44.869 30.657 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.004 42.620 30.317 1.00 0.00 C ATOM 728 CZ PHE A 45 37.798 43.931 30.762 1.00 0.00 C ATOM 0 H PHE A 45 43.794 41.068 29.448 1.00 0.00 H new ATOM 0 HA PHE A 45 43.040 43.771 30.284 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.835 43.478 28.231 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.479 41.800 28.589 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.846 45.238 29.993 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.408 41.229 29.465 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.682 45.876 31.017 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.208 41.894 30.391 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.846 44.217 31.184 1.00 0.00 H new ATOM 738 N ALA A 46 42.074 42.774 32.390 1.00 0.00 N ATOM 739 CA ALA A 46 41.680 42.258 33.685 1.00 0.00 C ATOM 740 C ALA A 46 42.503 41.048 34.132 1.00 0.00 C ATOM 741 O ALA A 46 41.973 40.019 34.548 1.00 0.00 O ATOM 742 CB ALA A 46 40.167 42.057 33.701 1.00 0.00 C ATOM 0 H ALA A 46 42.149 43.791 32.380 1.00 0.00 H new ATOM 0 HA ALA A 46 41.916 42.994 34.454 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.862 41.669 34.673 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.671 43.011 33.519 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.886 41.348 32.922 1.00 0.00 H new ATOM 748 N GLY A 47 43.822 41.134 33.980 1.00 0.00 N ATOM 749 CA GLY A 47 44.767 40.091 34.323 1.00 0.00 C ATOM 750 C GLY A 47 44.740 38.843 33.439 1.00 0.00 C ATOM 751 O GLY A 47 45.393 37.859 33.780 1.00 0.00 O ATOM 0 H GLY A 47 44.272 41.966 33.600 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.771 40.513 34.290 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.583 39.786 35.353 1.00 0.00 H new ATOM 755 N LYS A 48 44.009 38.845 32.328 1.00 0.00 N ATOM 756 CA LYS A 48 43.857 37.733 31.412 1.00 0.00 C ATOM 757 C LYS A 48 44.580 38.013 30.093 1.00 0.00 C ATOM 758 O LYS A 48 44.380 39.058 29.477 1.00 0.00 O ATOM 759 CB LYS A 48 42.376 37.446 31.180 1.00 0.00 C ATOM 760 CG LYS A 48 41.695 36.872 32.418 1.00 0.00 C ATOM 761 CD LYS A 48 40.174 36.962 32.353 1.00 0.00 C ATOM 762 CE LYS A 48 39.701 38.386 32.628 1.00 0.00 C ATOM 763 NZ LYS A 48 38.232 38.452 32.632 1.00 0.00 N ATOM 0 H LYS A 48 43.482 39.667 32.033 1.00 0.00 H new ATOM 0 HA LYS A 48 44.313 36.848 31.855 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.872 38.366 30.885 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.270 36.745 30.352 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.988 35.829 32.537 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.048 37.405 33.301 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.828 36.643 31.370 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.734 36.281 33.082 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.088 38.724 33.589 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.099 39.060 31.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.929 39.429 32.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.868 38.150 31.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.858 37.824 33.372 1.00 0.00 H new ATOM 777 N GLN A 49 45.412 37.069 29.662 1.00 0.00 N ATOM 778 CA GLN A 49 46.170 37.156 28.429 1.00 0.00 C ATOM 779 C GLN A 49 45.295 36.787 27.230 1.00 0.00 C ATOM 780 O GLN A 49 44.723 35.701 27.172 1.00 0.00 O ATOM 781 CB GLN A 49 47.436 36.308 28.509 1.00 0.00 C ATOM 782 CG GLN A 49 48.409 36.837 29.559 1.00 0.00 C ATOM 783 CD GLN A 49 49.762 36.126 29.489 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.745 36.653 28.973 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.864 34.896 29.984 1.00 0.00 N ATOM 0 H GLN A 49 45.578 36.204 30.177 1.00 0.00 H new ATOM 0 HA GLN A 49 46.489 38.188 28.286 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.169 35.278 28.747 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.925 36.293 27.535 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.553 37.908 29.414 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.980 36.704 30.552 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.053 34.451 30.414 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.753 34.398 29.934 1.00 0.00 H new ATOM 794 N LEU A 50 45.185 37.712 26.281 1.00 0.00 N ATOM 795 CA LEU A 50 44.268 37.661 25.160 1.00 0.00 C ATOM 796 C LEU A 50 44.900 36.992 23.938 1.00 0.00 C ATOM 797 O LEU A 50 46.058 37.264 23.624 1.00 0.00 O ATOM 798 CB LEU A 50 43.799 39.076 24.836 1.00 0.00 C ATOM 799 CG LEU A 50 43.242 39.886 26.003 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.869 41.284 25.518 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.012 39.239 26.633 1.00 0.00 C ATOM 0 H LEU A 50 45.761 38.553 26.278 1.00 0.00 H new ATOM 0 HA LEU A 50 43.409 37.050 25.436 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.638 39.625 24.408 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.031 39.014 24.065 1.00 0.00 H new ATOM 0 HG LEU A 50 44.021 39.930 26.764 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.471 41.864 26.351 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.755 41.780 25.121 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.114 41.208 24.735 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.658 39.857 27.458 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.225 39.147 25.884 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.273 38.249 27.008 1.00 0.00 H new ATOM 813 N GLU A 51 44.144 36.158 23.230 1.00 0.00 N ATOM 814 CA GLU A 51 44.567 35.416 22.058 1.00 0.00 C ATOM 815 C GLU A 51 44.036 36.026 20.760 1.00 0.00 C ATOM 816 O GLU A 51 43.013 36.708 20.761 1.00 0.00 O ATOM 817 CB GLU A 51 44.155 33.955 22.217 1.00 0.00 C ATOM 818 CG GLU A 51 45.020 33.247 23.256 1.00 0.00 C ATOM 819 CD GLU A 51 44.423 31.910 23.700 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.277 30.987 22.868 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.140 31.753 24.908 1.00 0.00 O ATOM 0 H GLU A 51 43.171 35.976 23.475 1.00 0.00 H new ATOM 0 HA GLU A 51 45.653 35.472 21.982 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.108 33.900 22.514 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.242 33.444 21.258 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.014 33.078 22.843 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.142 33.894 24.125 1.00 0.00 H new ATOM 828 N ASP A 52 44.682 35.782 19.622 1.00 0.00 N ATOM 829 CA ASP A 52 44.411 36.482 18.383 1.00 0.00 C ATOM 830 C ASP A 52 43.099 36.059 17.720 1.00 0.00 C ATOM 831 O ASP A 52 42.444 36.885 17.088 1.00 0.00 O ATOM 832 CB ASP A 52 45.558 36.296 17.395 1.00 0.00 C ATOM 833 CG ASP A 52 46.891 36.927 17.801 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.172 38.088 17.430 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.746 36.243 18.403 1.00 0.00 O ATOM 0 H ASP A 52 45.418 35.081 19.541 1.00 0.00 H new ATOM 0 HA ASP A 52 44.314 37.534 18.652 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.714 35.228 17.244 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.257 36.713 16.434 1.00 0.00 H new ATOM 840 N GLY A 53 42.690 34.799 17.849 1.00 0.00 N ATOM 841 CA GLY A 53 41.530 34.225 17.198 1.00 0.00 C ATOM 842 C GLY A 53 40.197 34.439 17.919 1.00 0.00 C ATOM 843 O GLY A 53 39.366 33.534 17.924 1.00 0.00 O ATOM 0 H GLY A 53 43.184 34.127 18.437 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.452 34.645 16.195 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.693 33.153 17.083 1.00 0.00 H new ATOM 847 N ARG A 54 40.009 35.575 18.584 1.00 0.00 N ATOM 848 CA ARG A 54 38.871 35.897 19.421 1.00 0.00 C ATOM 849 C ARG A 54 38.410 37.343 19.226 1.00 0.00 C ATOM 850 O ARG A 54 39.227 38.199 18.889 1.00 0.00 O ATOM 851 CB ARG A 54 39.245 35.676 20.884 1.00 0.00 C ATOM 852 CG ARG A 54 39.611 34.264 21.333 1.00 0.00 C ATOM 853 CD ARG A 54 38.431 33.312 21.505 1.00 0.00 C ATOM 854 NE ARG A 54 37.755 33.042 20.235 1.00 0.00 N ATOM 855 CZ ARG A 54 36.508 32.578 20.076 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.759 32.137 21.095 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.963 32.555 18.852 1.00 0.00 N ATOM 0 H ARG A 54 40.689 36.335 18.547 1.00 0.00 H new ATOM 0 HA ARG A 54 38.047 35.244 19.134 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.089 36.327 21.113 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.408 36.013 21.495 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.300 33.835 20.605 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.147 34.328 22.280 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.782 32.374 21.936 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.719 33.740 22.211 1.00 0.00 H new ATOM 0 HE ARG A 54 38.287 33.226 19.385 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.133 32.145 22.044 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.814 31.793 20.922 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.497 32.889 18.050 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.014 32.203 18.723 1.00 0.00 H new ATOM 871 N THR A 55 37.138 37.626 19.491 1.00 0.00 N ATOM 872 CA THR A 55 36.605 38.972 19.533 1.00 0.00 C ATOM 873 C THR A 55 36.683 39.593 20.929 1.00 0.00 C ATOM 874 O THR A 55 36.823 38.883 21.923 1.00 0.00 O ATOM 875 CB THR A 55 35.176 39.081 19.008 1.00 0.00 C ATOM 876 OG1 THR A 55 34.276 38.482 19.912 1.00 0.00 O ATOM 877 CG2 THR A 55 34.972 38.461 17.628 1.00 0.00 C ATOM 0 H THR A 55 36.440 36.908 19.685 1.00 0.00 H new ATOM 0 HA THR A 55 37.250 39.536 18.860 1.00 0.00 H new ATOM 0 HB THR A 55 34.982 40.149 18.912 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.295 37.509 19.796 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.931 38.580 17.326 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.618 38.960 16.906 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.220 37.400 17.665 1.00 0.00 H new ATOM 885 N LEU A 56 36.513 40.910 21.020 1.00 0.00 N ATOM 886 CA LEU A 56 36.347 41.601 22.283 1.00 0.00 C ATOM 887 C LEU A 56 35.168 41.063 23.096 1.00 0.00 C ATOM 888 O LEU A 56 35.282 40.932 24.313 1.00 0.00 O ATOM 889 CB LEU A 56 36.199 43.098 22.028 1.00 0.00 C ATOM 890 CG LEU A 56 37.415 43.792 21.421 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.135 45.283 21.255 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.667 43.685 22.287 1.00 0.00 C ATOM 0 H LEU A 56 36.487 41.527 20.208 1.00 0.00 H new ATOM 0 HA LEU A 56 37.239 41.420 22.883 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.348 43.252 21.365 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.960 43.586 22.973 1.00 0.00 H new ATOM 0 HG LEU A 56 37.593 43.290 20.470 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.008 45.771 20.821 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.277 45.421 20.597 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.920 45.723 22.229 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.494 44.199 21.797 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.478 44.144 23.258 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.925 42.635 22.426 1.00 0.00 H new ATOM 904 N SER A 57 34.077 40.673 22.443 1.00 0.00 N ATOM 905 CA SER A 57 32.939 40.058 23.096 1.00 0.00 C ATOM 906 C SER A 57 33.242 38.692 23.716 1.00 0.00 C ATOM 907 O SER A 57 32.752 38.415 24.808 1.00 0.00 O ATOM 908 CB SER A 57 31.750 39.977 22.143 1.00 0.00 C ATOM 909 OG SER A 57 31.931 39.003 21.139 1.00 0.00 O ATOM 0 H SER A 57 33.963 40.779 21.435 1.00 0.00 H new ATOM 0 HA SER A 57 32.684 40.709 23.933 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.848 39.747 22.710 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.594 40.950 21.677 1.00 0.00 H new ATOM 0 HG SER A 57 32.867 39.002 20.849 1.00 0.00 H new ATOM 915 N ASP A 58 34.107 37.875 23.121 1.00 0.00 N ATOM 916 CA ASP A 58 34.489 36.579 23.643 1.00 0.00 C ATOM 917 C ASP A 58 35.283 36.653 24.950 1.00 0.00 C ATOM 918 O ASP A 58 35.399 35.660 25.662 1.00 0.00 O ATOM 919 CB ASP A 58 35.261 35.786 22.593 1.00 0.00 C ATOM 920 CG ASP A 58 34.438 35.510 21.333 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.364 34.875 21.433 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.833 35.961 20.237 1.00 0.00 O ATOM 0 H ASP A 58 34.569 38.107 22.242 1.00 0.00 H new ATOM 0 HA ASP A 58 33.559 36.062 23.881 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.162 36.335 22.320 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.584 34.839 23.025 1.00 0.00 H new ATOM 927 N TYR A 59 35.785 37.839 25.287 1.00 0.00 N ATOM 928 CA TYR A 59 36.431 38.166 26.541 1.00 0.00 C ATOM 929 C TYR A 59 35.631 39.123 27.426 1.00 0.00 C ATOM 930 O TYR A 59 36.131 39.477 28.491 1.00 0.00 O ATOM 931 CB TYR A 59 37.829 38.708 26.256 1.00 0.00 C ATOM 932 CG TYR A 59 38.831 37.672 25.804 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.348 36.762 26.734 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.294 37.672 24.483 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.333 35.844 26.349 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.313 36.790 24.102 1.00 0.00 C ATOM 937 CZ TYR A 59 40.824 35.859 25.029 1.00 0.00 C ATOM 938 OH TYR A 59 41.818 35.006 24.649 1.00 0.00 O ATOM 0 H TYR A 59 35.746 38.637 24.652 1.00 0.00 H new ATOM 0 HA TYR A 59 36.496 37.245 27.120 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.755 39.480 25.490 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.207 39.190 27.158 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.986 36.768 27.752 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.867 38.350 23.759 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.715 35.127 27.061 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.708 36.823 23.097 1.00 0.00 H new ATOM 0 HH TYR A 59 41.454 34.331 24.039 1.00 0.00 H new ATOM 948 N ASN A 60 34.430 39.552 27.047 1.00 0.00 N ATOM 949 CA ASN A 60 33.663 40.554 27.758 1.00 0.00 C ATOM 950 C ASN A 60 34.451 41.841 28.012 1.00 0.00 C ATOM 951 O ASN A 60 34.426 42.404 29.104 1.00 0.00 O ATOM 952 CB ASN A 60 33.018 39.932 28.994 1.00 0.00 C ATOM 953 CG ASN A 60 31.976 40.826 29.667 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.319 41.662 29.051 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.777 40.648 30.970 1.00 0.00 N ATOM 0 H ASN A 60 33.957 39.199 26.215 1.00 0.00 H new ATOM 0 HA ASN A 60 32.846 40.893 27.121 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.546 38.991 28.711 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.798 39.693 29.717 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.078 41.206 31.460 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.324 39.953 31.479 1.00 0.00 H new ATOM 962 N ILE A 61 35.178 42.305 27.000 1.00 0.00 N ATOM 963 CA ILE A 61 35.831 43.598 27.022 1.00 0.00 C ATOM 964 C ILE A 61 34.776 44.659 26.707 1.00 0.00 C ATOM 965 O ILE A 61 34.151 44.639 25.649 1.00 0.00 O ATOM 966 CB ILE A 61 37.034 43.627 26.084 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.128 42.682 26.572 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.597 45.042 25.971 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.122 42.245 25.499 1.00 0.00 C ATOM 0 H ILE A 61 35.328 41.784 26.136 1.00 0.00 H new ATOM 0 HA ILE A 61 36.246 43.810 28.007 1.00 0.00 H new ATOM 0 HB ILE A 61 36.695 43.298 25.102 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.676 43.169 27.378 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.659 41.794 26.996 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.454 45.040 25.297 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.829 45.709 25.579 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.910 45.389 26.956 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.861 41.576 25.939 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.591 41.725 24.701 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.624 43.122 25.090 1.00 0.00 H new ATOM 981 N GLN A 62 34.563 45.572 27.651 1.00 0.00 N ATOM 982 CA GLN A 62 33.495 46.550 27.623 1.00 0.00 C ATOM 983 C GLN A 62 33.975 47.953 27.247 1.00 0.00 C ATOM 984 O GLN A 62 35.160 48.262 27.336 1.00 0.00 O ATOM 985 CB GLN A 62 32.740 46.513 28.949 1.00 0.00 C ATOM 986 CG GLN A 62 32.020 45.182 29.149 1.00 0.00 C ATOM 987 CD GLN A 62 31.174 45.105 30.421 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.030 46.050 31.193 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.587 43.944 30.699 1.00 0.00 N ATOM 0 H GLN A 62 35.152 45.648 28.480 1.00 0.00 H new ATOM 0 HA GLN A 62 32.804 46.280 26.825 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.438 46.677 29.770 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.016 47.327 28.979 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.377 44.998 28.288 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.760 44.382 29.171 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.699 43.152 30.066 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.025 43.846 31.545 1.00 0.00 H new ATOM 998 N LYS A 63 33.044 48.820 26.858 1.00 0.00 N ATOM 999 CA LYS A 63 33.285 50.222 26.582 1.00 0.00 C ATOM 1000 C LYS A 63 34.023 50.935 27.717 1.00 0.00 C ATOM 1001 O LYS A 63 33.792 50.653 28.891 1.00 0.00 O ATOM 1002 CB LYS A 63 31.965 50.901 26.232 1.00 0.00 C ATOM 1003 CG LYS A 63 30.942 50.931 27.364 1.00 0.00 C ATOM 1004 CD LYS A 63 29.576 51.435 26.907 1.00 0.00 C ATOM 1005 CE LYS A 63 29.539 52.917 26.545 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.635 53.784 27.730 1.00 0.00 N ATOM 0 H LYS A 63 32.070 48.550 26.723 1.00 0.00 H new ATOM 0 HA LYS A 63 33.955 50.291 25.725 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.171 51.925 25.920 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.525 50.389 25.376 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.835 49.929 27.779 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.311 51.570 28.166 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.259 50.854 26.041 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.850 51.249 27.699 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.360 53.143 25.865 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.614 53.135 26.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.589 54.780 27.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.847 53.577 28.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.537 53.608 28.216 1.00 0.00 H new ATOM 1020 N GLU A 64 34.942 51.827 27.359 1.00 0.00 N ATOM 1021 CA GLU A 64 35.837 52.547 28.241 1.00 0.00 C ATOM 1022 C GLU A 64 36.790 51.697 29.083 1.00 0.00 C ATOM 1023 O GLU A 64 37.402 52.213 30.015 1.00 0.00 O ATOM 1024 CB GLU A 64 35.097 53.608 29.051 1.00 0.00 C ATOM 1025 CG GLU A 64 34.346 54.659 28.237 1.00 0.00 C ATOM 1026 CD GLU A 64 32.883 54.307 27.961 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.109 54.112 28.921 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.462 54.329 26.784 1.00 0.00 O ATOM 0 H GLU A 64 35.086 52.078 26.381 1.00 0.00 H new ATOM 0 HA GLU A 64 36.523 53.058 27.566 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.385 53.107 29.707 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.817 54.117 29.691 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.386 55.610 28.767 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.860 54.802 27.286 1.00 0.00 H new ATOM 1035 N SER A 65 36.983 50.415 28.783 1.00 0.00 N ATOM 1036 CA SER A 65 37.991 49.596 29.424 1.00 0.00 C ATOM 1037 C SER A 65 39.416 50.046 29.096 1.00 0.00 C ATOM 1038 O SER A 65 39.697 50.416 27.958 1.00 0.00 O ATOM 1039 CB SER A 65 37.878 48.127 29.023 1.00 0.00 C ATOM 1040 OG SER A 65 36.631 47.583 29.393 1.00 0.00 O ATOM 0 H SER A 65 36.436 49.917 28.081 1.00 0.00 H new ATOM 0 HA SER A 65 37.804 49.715 30.491 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.012 48.032 27.945 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.679 47.558 29.495 1.00 0.00 H new ATOM 0 HG SER A 65 35.927 47.966 28.829 1.00 0.00 H new ATOM 1046 N THR A 66 40.329 49.921 30.056 1.00 0.00 N ATOM 1047 CA THR A 66 41.760 50.039 29.869 1.00 0.00 C ATOM 1048 C THR A 66 42.411 48.655 29.811 1.00 0.00 C ATOM 1049 O THR A 66 42.096 47.768 30.602 1.00 0.00 O ATOM 1050 CB THR A 66 42.413 50.915 30.934 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.882 52.220 30.892 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.915 51.091 30.735 1.00 0.00 C ATOM 0 H THR A 66 40.074 49.726 31.024 1.00 0.00 H new ATOM 0 HA THR A 66 41.923 50.537 28.913 1.00 0.00 H new ATOM 0 HB THR A 66 42.216 50.403 31.876 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.309 52.769 31.582 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.315 51.724 31.527 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.403 50.117 30.768 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.102 51.558 29.768 1.00 0.00 H new ATOM 1060 N LEU A 67 43.323 48.479 28.860 1.00 0.00 N ATOM 1061 CA LEU A 67 44.082 47.276 28.583 1.00 0.00 C ATOM 1062 C LEU A 67 45.585 47.551 28.658 1.00 0.00 C ATOM 1063 O LEU A 67 46.015 48.702 28.625 1.00 0.00 O ATOM 1064 CB LEU A 67 43.709 46.736 27.206 1.00 0.00 C ATOM 1065 CG LEU A 67 42.283 46.218 27.044 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.253 47.284 26.684 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.236 45.194 25.915 1.00 0.00 C ATOM 0 H LEU A 67 43.565 49.234 28.218 1.00 0.00 H new ATOM 0 HA LEU A 67 43.838 46.529 29.338 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.870 47.527 26.474 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.397 45.927 26.958 1.00 0.00 H new ATOM 0 HG LEU A 67 42.027 45.806 28.020 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.270 46.823 26.590 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.225 48.042 27.467 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.527 47.750 25.738 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.217 44.825 25.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.559 45.662 24.985 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.899 44.362 26.151 1.00 0.00 H new ATOM 1079 N HIS A 68 46.403 46.503 28.708 1.00 0.00 N ATOM 1080 CA HIS A 68 47.847 46.580 28.802 1.00 0.00 C ATOM 1081 C HIS A 68 48.521 45.754 27.706 1.00 0.00 C ATOM 1082 O HIS A 68 47.969 44.749 27.263 1.00 0.00 O ATOM 1083 CB HIS A 68 48.287 46.139 30.195 1.00 0.00 C ATOM 1084 CG HIS A 68 47.625 46.901 31.310 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.472 46.507 31.986 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.022 48.118 31.800 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.171 47.500 32.826 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.084 48.481 32.746 1.00 0.00 N ATOM 0 H HIS A 68 46.059 45.543 28.683 1.00 0.00 H new ATOM 0 HA HIS A 68 48.160 47.613 28.648 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.071 45.077 30.315 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.367 46.256 30.279 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.895 48.681 31.505 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.311 47.512 33.480 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.085 49.344 33.289 1.00 0.00 H new ATOM 1096 N LEU A 69 49.714 46.154 27.273 1.00 0.00 N ATOM 1097 CA LEU A 69 50.513 45.443 26.296 1.00 0.00 C ATOM 1098 C LEU A 69 51.877 45.024 26.848 1.00 0.00 C ATOM 1099 O LEU A 69 52.446 45.717 27.688 1.00 0.00 O ATOM 1100 CB LEU A 69 50.591 46.240 24.997 1.00 0.00 C ATOM 1101 CG LEU A 69 51.528 47.444 24.974 1.00 0.00 C ATOM 1102 CD1 LEU A 69 52.943 47.081 24.532 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.020 48.483 23.979 1.00 0.00 C ATOM 0 H LEU A 69 50.159 47.009 27.607 1.00 0.00 H new ATOM 0 HA LEU A 69 50.015 44.502 26.062 1.00 0.00 H new ATOM 0 HB2 LEU A 69 50.895 45.560 24.201 1.00 0.00 H new ATOM 0 HB3 LEU A 69 49.587 46.588 24.753 1.00 0.00 H new ATOM 0 HG LEU A 69 51.550 47.825 25.995 1.00 0.00 H new ATOM 0 HD11 LEU A 69 53.566 47.976 24.534 1.00 0.00 H new ATOM 0 HD12 LEU A 69 53.362 46.346 25.219 1.00 0.00 H new ATOM 0 HD13 LEU A 69 52.914 46.662 23.526 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.695 49.339 23.970 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.978 48.043 22.983 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.023 48.811 24.273 1.00 0.00 H new ATOM 1115 N VAL A 70 52.393 43.891 26.378 1.00 0.00 N ATOM 1116 CA VAL A 70 53.624 43.258 26.808 1.00 0.00 C ATOM 1117 C VAL A 70 54.434 42.789 25.598 1.00 0.00 C ATOM 1118 O VAL A 70 53.869 42.477 24.552 1.00 0.00 O ATOM 1119 CB VAL A 70 53.295 42.132 27.784 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.414 41.125 28.033 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.876 42.698 29.137 1.00 0.00 C ATOM 0 H VAL A 70 51.928 43.362 25.640 1.00 0.00 H new ATOM 0 HA VAL A 70 54.254 43.974 27.336 1.00 0.00 H new ATOM 0 HB VAL A 70 52.486 41.593 27.291 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.073 40.370 28.741 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.687 40.645 27.093 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.283 41.640 28.443 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.646 41.879 29.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.689 43.295 29.549 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.993 43.325 29.012 1.00 0.00 H new ATOM 1131 N LEU A 71 55.758 42.748 25.713 1.00 0.00 N ATOM 1132 CA LEU A 71 56.677 42.292 24.689 1.00 0.00 C ATOM 1133 C LEU A 71 56.840 40.771 24.682 1.00 0.00 C ATOM 1134 O LEU A 71 57.167 40.172 25.704 1.00 0.00 O ATOM 1135 CB LEU A 71 58.000 43.033 24.853 1.00 0.00 C ATOM 1136 CG LEU A 71 59.151 42.581 23.958 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.843 42.731 22.470 1.00 0.00 C ATOM 1138 CD2 LEU A 71 60.396 43.409 24.268 1.00 0.00 C ATOM 0 H LEU A 71 56.236 43.046 26.563 1.00 0.00 H new ATOM 0 HA LEU A 71 56.265 42.527 23.708 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.822 44.093 24.670 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.318 42.937 25.891 1.00 0.00 H new ATOM 0 HG LEU A 71 59.310 41.523 24.167 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.699 42.394 21.885 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.970 42.129 22.217 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.640 43.778 22.244 1.00 0.00 H new ATOM 0 HD21 LEU A 71 61.217 43.085 23.628 1.00 0.00 H new ATOM 0 HD22 LEU A 71 60.187 44.463 24.085 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.674 43.271 25.313 1.00 0.00 H new ATOM 1150 N ARG A 72 56.655 40.150 23.520 1.00 0.00 N ATOM 1151 CA ARG A 72 56.884 38.741 23.268 1.00 0.00 C ATOM 1152 C ARG A 72 58.269 38.471 22.679 1.00 0.00 C ATOM 1153 O ARG A 72 58.732 39.201 21.805 1.00 0.00 O ATOM 1154 CB ARG A 72 55.768 38.195 22.382 1.00 0.00 C ATOM 1155 CG ARG A 72 55.747 36.669 22.407 1.00 0.00 C ATOM 1156 CD ARG A 72 54.573 36.049 21.656 1.00 0.00 C ATOM 1157 NE ARG A 72 54.675 36.252 20.211 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.151 35.482 19.248 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.407 34.395 19.495 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.377 35.801 17.967 1.00 0.00 N ATOM 0 H ARG A 72 56.325 40.645 22.692 1.00 0.00 H new ATOM 0 HA ARG A 72 56.864 38.214 24.222 1.00 0.00 H new ATOM 0 HB2 ARG A 72 54.807 38.581 22.722 1.00 0.00 H new ATOM 0 HB3 ARG A 72 55.908 38.544 21.359 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.677 36.297 21.977 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.719 36.334 23.444 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.530 34.981 21.869 1.00 0.00 H new ATOM 0 HD3 ARG A 72 53.641 36.484 22.018 1.00 0.00 H new ATOM 0 HE ARG A 72 55.203 37.069 19.903 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.214 34.117 20.457 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.034 33.846 18.721 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.941 36.619 17.737 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.986 35.225 17.221 1.00 0.00 H new ATOM 1174 N LEU A 73 58.910 37.399 23.138 1.00 0.00 N ATOM 1175 CA LEU A 73 60.295 37.058 22.885 1.00 0.00 C ATOM 1176 C LEU A 73 60.453 35.649 22.310 1.00 0.00 C ATOM 1177 O LEU A 73 59.484 34.904 22.185 1.00 0.00 O ATOM 1178 CB LEU A 73 61.075 37.250 24.182 1.00 0.00 C ATOM 1179 CG LEU A 73 61.070 38.665 24.751 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.764 38.697 26.110 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.762 39.676 23.841 1.00 0.00 C ATOM 0 H LEU A 73 58.445 36.710 23.729 1.00 0.00 H new ATOM 0 HA LEU A 73 60.699 37.719 22.118 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.667 36.574 24.934 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.109 36.950 24.011 1.00 0.00 H new ATOM 0 HG LEU A 73 60.021 38.946 24.842 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.751 39.714 26.501 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.241 38.036 26.801 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.796 38.364 26.000 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.726 40.664 24.300 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.801 39.382 23.695 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.254 39.705 22.877 1.00 0.00 H new ATOM 1193 N ARG A 74 61.676 35.274 21.944 1.00 0.00 N ATOM 1194 CA ARG A 74 62.072 33.996 21.387 1.00 0.00 C ATOM 1195 C ARG A 74 61.375 33.592 20.087 1.00 0.00 C ATOM 1196 O ARG A 74 61.193 32.410 19.804 1.00 0.00 O ATOM 1197 CB ARG A 74 62.072 32.900 22.449 1.00 0.00 C ATOM 1198 CG ARG A 74 62.865 33.252 23.703 1.00 0.00 C ATOM 1199 CD ARG A 74 62.854 32.100 24.704 1.00 0.00 C ATOM 1200 NE ARG A 74 63.519 32.500 25.944 1.00 0.00 N ATOM 1201 CZ ARG A 74 63.936 31.706 26.939 1.00 0.00 C ATOM 1202 NH1 ARG A 74 63.801 30.372 26.911 1.00 0.00 N ATOM 1203 NH2 ARG A 74 64.493 32.242 28.033 1.00 0.00 N ATOM 0 H ARG A 74 62.470 35.907 22.039 1.00 0.00 H new ATOM 0 HA ARG A 74 63.103 34.138 21.062 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.042 32.682 22.732 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.483 31.988 22.016 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.893 33.491 23.431 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.442 34.144 24.166 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.827 31.801 24.914 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.357 31.233 24.277 1.00 0.00 H new ATOM 0 HE ARG A 74 63.684 33.499 26.065 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.365 29.920 26.107 1.00 0.00 H new ATOM 0 HH12 ARG A 74 64.135 29.809 27.693 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.599 33.254 28.108 1.00 0.00 H new ATOM 0 HH22 ARG A 74 64.811 31.638 28.791 1.00 0.00 H new ATOM 1217 N GLY A 75 61.025 34.572 19.259 1.00 0.00 N ATOM 1218 CA GLY A 75 60.455 34.379 17.941 1.00 0.00 C ATOM 1219 C GLY A 75 61.432 33.845 16.892 1.00 0.00 C ATOM 1220 O GLY A 75 61.002 33.480 15.801 1.00 0.00 O ATOM 0 H GLY A 75 61.137 35.556 19.502 1.00 0.00 H new ATOM 0 HA2 GLY A 75 59.616 33.688 18.021 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.053 35.330 17.592 1.00 0.00 H new ATOM 1224 N GLY A 76 62.723 33.781 17.205 1.00 0.00 N ATOM 1225 CA GLY A 76 63.756 33.142 16.414 1.00 0.00 C ATOM 1226 C GLY A 76 65.160 33.534 16.876 1.00 0.00 C ATOM 1227 O GLY A 76 65.717 32.829 17.744 1.00 0.00 O ATOM 1228 OXT GLY A 76 65.671 34.567 16.390 1.00 0.00 O ATOM 0 H GLY A 76 63.090 34.196 18.062 1.00 0.00 H new ATOM 0 HA2 GLY A 76 63.643 32.060 16.477 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.630 33.415 15.366 1.00 0.00 H new TER 1232 GLY A 76