USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0.00167 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.982 K(o=0.98,f=-4.5!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.028 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -118:sc= 0.0108 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 179:sc= 0.00455 USER MOD Single : A 1 MET CE :methyl 176:sc= -0.028 (180deg=-0.09) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.32 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.51 K(o=-0.51,f=-4.1!) USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= 0.748 (180deg=-1.59!) USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.125 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0403 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.78 (180deg=1.47) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0986 X(o=-0.099,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 41 GLN : amide:sc= 0.338 K(o=0.34,f=-2) 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=-0.18) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.77 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 63 LYS NZ :NH3+ -107:sc= 1.17 (180deg=-0.232) USER MOD Single : A 65 SER OG : rot 61:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.245 K(o=0.24,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.854 -7.513 -4.607 1.00 9.67 N ATOM 2 CA MET A 1 11.717 -7.893 -3.203 1.00 10.38 C ATOM 3 C MET A 1 10.279 -8.228 -2.849 1.00 9.62 C ATOM 4 O MET A 1 9.360 -7.877 -3.580 1.00 9.62 O ATOM 5 CB MET A 1 12.262 -6.828 -2.193 1.00 13.77 C ATOM 6 CG MET A 1 11.444 -5.572 -2.151 1.00 16.29 C ATOM 7 SD MET A 1 12.201 -4.311 -1.092 1.00 17.17 S ATOM 8 CE MET A 1 10.811 -3.203 -1.598 1.00 16.11 C ATOM 0 H1 MET A 1 12.630 -6.827 -4.707 1.00 9.67 H new ATOM 0 H2 MET A 1 12.063 -8.358 -5.176 1.00 9.67 H new ATOM 0 H3 MET A 1 10.967 -7.083 -4.938 1.00 9.67 H new ATOM 0 HA MET A 1 12.341 -8.781 -3.101 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.292 -7.266 -1.196 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.288 -6.576 -2.461 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.331 -5.178 -3.161 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.444 -5.802 -1.784 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.883 -2.259 -1.058 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.868 -3.014 -2.670 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.860 -3.682 -1.365 1.00 16.11 H new ATOM 20 N GLN A 2 10.058 -8.923 -1.699 1.00 9.27 N ATOM 21 CA GLN A 2 8.714 -9.100 -1.235 1.00 9.07 C ATOM 22 C GLN A 2 8.374 -7.957 -0.234 1.00 8.72 C ATOM 23 O GLN A 2 9.276 -7.346 0.372 1.00 8.22 O ATOM 24 CB GLN A 2 8.447 -10.472 -0.511 1.00 14.46 C ATOM 25 CG GLN A 2 8.618 -11.653 -1.468 1.00 17.01 C ATOM 26 CD GLN A 2 7.883 -11.701 -2.768 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.640 -11.594 -2.788 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.625 -11.976 -3.840 1.00 19.49 N ATOM 0 H GLN A 2 10.783 -9.343 -1.118 1.00 9.27 H new ATOM 0 HA GLN A 2 8.085 -9.084 -2.125 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.133 -10.581 0.329 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.437 -10.478 -0.101 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.681 -11.726 -1.699 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.349 -12.553 -0.916 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.639 -12.050 -3.753 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.179 -12.113 -4.747 1.00 19.49 H new ATOM 37 N ILE A 3 7.133 -7.615 -0.036 1.00 5.87 N ATOM 38 CA ILE A 3 6.666 -6.745 1.066 1.00 5.07 C ATOM 39 C ILE A 3 5.333 -7.401 1.451 1.00 4.01 C ATOM 40 O ILE A 3 4.725 -8.119 0.671 1.00 4.61 O ATOM 41 CB ILE A 3 6.413 -5.326 0.689 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.295 -5.130 -0.388 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.731 -4.577 0.280 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.938 -3.741 -0.743 1.00 10.83 C ATOM 0 H ILE A 3 6.376 -7.931 -0.642 1.00 5.87 H new ATOM 0 HA ILE A 3 7.423 -6.679 1.848 1.00 5.07 H new ATOM 0 HB ILE A 3 6.027 -4.868 1.600 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.609 -5.642 -1.298 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.394 -5.631 -0.035 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.496 -3.546 0.014 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.429 -4.585 1.117 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.184 -5.079 -0.575 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.152 -3.749 -1.499 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.582 -3.219 0.145 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.816 -3.229 -1.138 1.00 10.83 H new ATOM 56 N PHE A 4 4.834 -7.053 2.657 1.00 4.55 N ATOM 57 CA PHE A 4 3.598 -7.637 3.152 1.00 4.68 C ATOM 58 C PHE A 4 2.579 -6.516 3.335 1.00 5.30 C ATOM 59 O PHE A 4 2.834 -5.414 3.904 1.00 5.58 O ATOM 60 CB PHE A 4 3.873 -8.328 4.517 1.00 4.83 C ATOM 61 CG PHE A 4 4.759 -9.540 4.292 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.282 -10.697 3.699 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.993 -9.572 4.930 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.042 -11.885 3.727 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.724 -10.734 4.952 1.00 10.61 C ATOM 66 CZ PHE A 4 6.273 -11.909 4.377 1.00 8.90 C ATOM 0 H PHE A 4 5.270 -6.380 3.287 1.00 4.55 H new ATOM 0 HA PHE A 4 3.214 -8.376 2.449 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.357 -7.630 5.201 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.934 -8.630 4.981 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.319 -10.690 3.210 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.377 -8.683 5.408 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.669 -12.776 3.244 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.689 -10.731 5.437 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.857 -12.816 4.431 1.00 8.90 H new ATOM 76 N VAL A 5 1.334 -6.781 2.833 1.00 4.44 N ATOM 77 CA VAL A 5 0.186 -5.876 2.981 1.00 3.87 C ATOM 78 C VAL A 5 -0.833 -6.642 3.810 1.00 4.93 C ATOM 79 O VAL A 5 -1.460 -7.602 3.370 1.00 6.84 O ATOM 80 CB VAL A 5 -0.455 -5.445 1.616 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.673 -4.563 1.863 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.661 -4.837 0.806 1.00 9.13 C ATOM 0 H VAL A 5 1.115 -7.633 2.317 1.00 4.44 H new ATOM 0 HA VAL A 5 0.513 -4.947 3.449 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.864 -6.273 1.037 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.110 -4.270 0.908 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.411 -5.116 2.445 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.371 -3.672 2.413 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.275 -4.515 -0.161 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.070 -3.978 1.337 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.446 -5.578 0.655 1.00 9.13 H new ATOM 92 N LYS A 6 -1.058 -6.147 5.073 1.00 6.04 N ATOM 93 CA LYS A 6 -2.163 -6.657 5.862 1.00 6.12 C ATOM 94 C LYS A 6 -3.467 -5.958 5.481 1.00 6.57 C ATOM 95 O LYS A 6 -3.564 -4.720 5.298 1.00 5.76 O ATOM 96 CB LYS A 6 -1.806 -6.446 7.334 1.00 7.45 C ATOM 97 CG LYS A 6 -0.708 -7.434 7.788 1.00 11.12 C ATOM 98 CD LYS A 6 -0.757 -7.524 9.323 1.00 14.54 C ATOM 99 CE LYS A 6 0.467 -8.132 9.971 1.00 18.84 C ATOM 100 NZ LYS A 6 0.669 -9.570 9.533 1.00 20.55 N ATOM 0 H LYS A 6 -0.497 -5.425 5.525 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.322 -7.719 5.672 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.463 -5.422 7.485 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.696 -6.578 7.950 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.871 -8.416 7.343 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.273 -7.093 7.457 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.902 -6.521 9.725 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.630 -8.111 9.609 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.348 -7.544 9.712 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.364 -8.091 11.055 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.606 -10.197 10.360 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.066 -9.830 8.845 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.606 -9.671 9.093 1.00 20.55 H new ATOM 114 N THR A 7 -4.559 -6.742 5.414 1.00 7.41 N ATOM 115 CA THR A 7 -5.950 -6.325 5.212 1.00 7.48 C ATOM 116 C THR A 7 -6.640 -5.949 6.503 1.00 8.75 C ATOM 117 O THR A 7 -6.076 -6.190 7.549 1.00 8.58 O ATOM 118 CB THR A 7 -6.774 -7.195 4.303 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.232 -8.469 4.921 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.874 -7.674 3.121 1.00 9.17 C ATOM 0 H THR A 7 -4.482 -7.755 5.507 1.00 7.41 H new ATOM 0 HA THR A 7 -5.867 -5.406 4.632 1.00 7.48 H new ATOM 0 HB THR A 7 -7.632 -6.581 4.027 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.761 -8.976 4.271 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.458 -8.307 2.452 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.505 -6.808 2.571 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.030 -8.242 3.513 1.00 9.17 H new ATOM 128 N LEU A 8 -7.842 -5.358 6.511 1.00 9.84 N ATOM 129 CA LEU A 8 -8.590 -5.049 7.727 1.00 14.15 C ATOM 130 C LEU A 8 -9.279 -6.289 8.307 1.00 17.37 C ATOM 131 O LEU A 8 -9.653 -6.349 9.461 1.00 17.01 O ATOM 132 CB LEU A 8 -9.804 -4.118 7.389 1.00 16.63 C ATOM 133 CG LEU A 8 -9.492 -2.718 6.833 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.874 -2.105 6.519 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.678 -1.946 7.815 1.00 18.59 C ATOM 0 H LEU A 8 -8.326 -5.079 5.657 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.862 -4.613 8.411 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.433 -4.635 6.664 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.397 -3.996 8.296 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.882 -2.723 5.930 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.743 -1.101 6.116 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.389 -2.726 5.786 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.466 -2.055 7.433 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.463 -0.957 7.411 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.233 -1.845 8.748 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.742 -2.472 8.005 1.00 18.59 H new ATOM 147 N THR A 9 -9.341 -7.394 7.567 1.00 18.33 N ATOM 148 CA THR A 9 -10.036 -8.640 8.005 1.00 19.24 C ATOM 149 C THR A 9 -9.013 -9.747 8.257 1.00 19.48 C ATOM 150 O THR A 9 -9.283 -10.918 8.102 1.00 23.14 O ATOM 151 CB THR A 9 -11.039 -9.211 6.939 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.489 -9.573 5.707 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.080 -8.057 6.745 1.00 19.70 C ATOM 0 H THR A 9 -8.916 -7.468 6.643 1.00 18.33 H new ATOM 0 HA THR A 9 -10.588 -8.359 8.902 1.00 19.24 H new ATOM 0 HB THR A 9 -11.450 -10.152 7.305 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.196 -9.916 5.121 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.828 -8.361 6.013 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.568 -7.844 7.696 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.569 -7.162 6.391 1.00 19.70 H new ATOM 161 N GLY A 10 -7.733 -9.432 8.711 1.00 19.43 N ATOM 162 CA GLY A 10 -6.793 -10.338 9.308 1.00 18.74 C ATOM 163 C GLY A 10 -6.000 -11.177 8.307 1.00 17.62 C ATOM 164 O GLY A 10 -5.179 -11.975 8.749 1.00 19.74 O ATOM 0 H GLY A 10 -7.363 -8.484 8.644 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.094 -9.766 9.918 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.329 -11.008 9.980 1.00 18.74 H new ATOM 168 N LYS A 11 -6.153 -11.002 6.973 1.00 13.56 N ATOM 169 CA LYS A 11 -5.276 -11.659 5.961 1.00 11.91 C ATOM 170 C LYS A 11 -4.068 -10.778 5.685 1.00 10.18 C ATOM 171 O LYS A 11 -3.970 -9.603 5.999 1.00 9.10 O ATOM 172 CB LYS A 11 -6.116 -11.760 4.639 1.00 13.43 C ATOM 173 CG LYS A 11 -5.387 -12.515 3.478 1.00 16.69 C ATOM 174 CD LYS A 11 -6.392 -12.879 2.373 1.00 17.92 C ATOM 175 CE LYS A 11 -6.610 -11.742 1.392 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.505 -12.237 0.347 1.00 21.93 N ATOM 0 H LYS A 11 -6.877 -10.410 6.566 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.941 -12.634 6.314 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.056 -12.268 4.856 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.368 -10.754 4.303 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.594 -11.889 3.068 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -4.913 -13.419 3.862 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.034 -13.756 1.834 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.345 -13.151 2.827 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.046 -10.879 1.895 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.662 -11.416 0.964 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.180 -11.894 -0.579 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.502 -13.277 0.351 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.470 -11.893 0.525 1.00 21.93 H new ATOM 190 N THR A 12 -2.967 -11.444 5.185 1.00 9.63 N ATOM 191 CA THR A 12 -1.782 -10.763 4.719 1.00 9.85 C ATOM 192 C THR A 12 -1.578 -11.138 3.286 1.00 11.66 C ATOM 193 O THR A 12 -1.486 -12.348 2.993 1.00 12.33 O ATOM 194 CB THR A 12 -0.464 -11.078 5.434 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.664 -10.902 6.852 1.00 10.91 O ATOM 196 CG2 THR A 12 0.671 -10.066 5.042 1.00 9.63 C ATOM 0 H THR A 12 -2.914 -12.460 5.110 1.00 9.63 H new ATOM 0 HA THR A 12 -1.982 -9.709 4.911 1.00 9.85 H new ATOM 0 HB THR A 12 -0.176 -12.092 5.156 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.165 -11.117 7.328 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.588 -10.325 5.571 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.846 -10.114 3.967 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.368 -9.055 5.315 1.00 9.63 H new ATOM 204 N ILE A 13 -1.473 -10.143 2.436 1.00 10.42 N ATOM 205 CA ILE A 13 -1.150 -10.327 1.023 1.00 11.84 C ATOM 206 C ILE A 13 0.339 -10.044 0.885 1.00 10.55 C ATOM 207 O ILE A 13 0.848 -9.136 1.520 1.00 11.92 O ATOM 208 CB ILE A 13 -1.920 -9.350 0.135 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.434 -9.426 0.416 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.695 -9.696 -1.359 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.267 -8.258 -0.225 1.00 16.46 C ATOM 0 H ILE A 13 -1.609 -9.167 2.701 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.419 -11.336 0.710 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.554 -8.347 0.356 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.814 -10.376 0.042 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.593 -9.421 1.494 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.248 -8.994 -1.982 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.632 -9.629 -1.592 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.046 -10.709 -1.555 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.321 -8.386 0.020 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.917 -7.303 0.167 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.142 -8.273 -1.308 1.00 16.46 H new ATOM 223 N THR A 14 0.972 -10.937 0.125 1.00 9.39 N ATOM 224 CA THR A 14 2.390 -10.774 -0.165 1.00 9.63 C ATOM 225 C THR A 14 2.457 -10.159 -1.540 1.00 11.20 C ATOM 226 O THR A 14 1.943 -10.699 -2.525 1.00 11.63 O ATOM 227 CB THR A 14 3.167 -12.123 -0.178 1.00 10.38 C ATOM 228 OG1 THR A 14 3.096 -12.903 1.012 1.00 16.30 O ATOM 229 CG2 THR A 14 4.675 -11.862 -0.280 1.00 11.66 C ATOM 0 H THR A 14 0.536 -11.760 -0.291 1.00 9.39 H new ATOM 0 HA THR A 14 2.852 -10.161 0.609 1.00 9.63 H new ATOM 0 HB THR A 14 2.701 -12.648 -1.012 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.660 -12.498 1.703 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.209 -12.812 -0.288 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.889 -11.318 -1.200 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.001 -11.270 0.576 1.00 11.66 H new ATOM 237 N LEU A 15 3.031 -8.916 -1.709 1.00 8.29 N ATOM 238 CA LEU A 15 3.124 -8.121 -2.900 1.00 9.03 C ATOM 239 C LEU A 15 4.581 -8.132 -3.369 1.00 8.59 C ATOM 240 O LEU A 15 5.535 -7.814 -2.638 1.00 7.79 O ATOM 241 CB LEU A 15 2.528 -6.703 -2.789 1.00 11.08 C ATOM 242 CG LEU A 15 1.050 -6.592 -2.491 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.673 -5.093 -2.582 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.170 -7.442 -3.445 1.00 15.27 C ATOM 0 H LEU A 15 3.467 -8.441 -0.919 1.00 8.29 H new ATOM 0 HA LEU A 15 2.487 -8.577 -3.658 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.070 -6.170 -2.008 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.723 -6.181 -3.726 1.00 11.08 H new ATOM 0 HG LEU A 15 0.859 -6.989 -1.494 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.390 -4.972 -2.372 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.253 -4.527 -1.853 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.890 -4.724 -3.584 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.880 -7.319 -3.178 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.324 -7.113 -4.473 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.446 -8.493 -3.355 1.00 15.27 H new ATOM 256 N GLU A 16 4.867 -8.437 -4.628 1.00 11.04 N ATOM 257 CA GLU A 16 6.248 -8.514 -5.078 1.00 11.50 C ATOM 258 C GLU A 16 6.494 -7.240 -5.823 1.00 10.13 C ATOM 259 O GLU A 16 5.786 -6.922 -6.728 1.00 9.83 O ATOM 260 CB GLU A 16 6.452 -9.697 -6.081 1.00 17.22 C ATOM 261 CG GLU A 16 7.917 -9.791 -6.361 1.00 23.33 C ATOM 262 CD GLU A 16 8.342 -10.969 -7.228 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.444 -11.688 -7.779 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.530 -11.237 -7.438 1.00 28.86 O ATOM 0 H GLU A 16 4.170 -8.633 -5.347 1.00 11.04 H new ATOM 0 HA GLU A 16 6.917 -8.665 -4.231 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.081 -10.630 -5.656 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.895 -9.522 -7.001 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.237 -8.870 -6.848 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.448 -9.851 -5.411 1.00 23.33 H new ATOM 271 N VAL A 17 7.509 -6.425 -5.389 1.00 8.99 N ATOM 272 CA VAL A 17 7.596 -5.060 -5.737 1.00 8.85 C ATOM 273 C VAL A 17 9.116 -4.921 -5.933 1.00 8.04 C ATOM 274 O VAL A 17 9.932 -5.791 -5.569 1.00 8.99 O ATOM 275 CB VAL A 17 7.173 -4.172 -4.598 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.616 -4.167 -4.572 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.849 -4.696 -3.320 1.00 10.54 C ATOM 0 H VAL A 17 8.268 -6.746 -4.788 1.00 8.99 H new ATOM 0 HA VAL A 17 6.971 -4.782 -6.586 1.00 8.85 H new ATOM 0 HB VAL A 17 7.486 -3.133 -4.700 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.268 -3.532 -3.757 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.238 -3.782 -5.519 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.251 -5.183 -4.422 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.561 -4.072 -2.474 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.534 -5.723 -3.137 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.932 -4.665 -3.442 1.00 10.54 H new ATOM 287 N GLU A 18 9.566 -3.761 -6.396 1.00 7.29 N ATOM 288 CA GLU A 18 10.927 -3.355 -6.227 1.00 7.08 C ATOM 289 C GLU A 18 10.867 -1.969 -5.572 1.00 6.45 C ATOM 290 O GLU A 18 9.793 -1.361 -5.633 1.00 5.28 O ATOM 291 CB GLU A 18 11.794 -3.337 -7.561 1.00 10.28 C ATOM 292 CG GLU A 18 12.228 -4.743 -7.996 1.00 12.65 C ATOM 293 CD GLU A 18 13.123 -4.779 -9.246 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.806 -4.176 -10.275 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.113 -5.541 -9.206 1.00 18.17 O ATOM 0 H GLU A 18 8.987 -3.087 -6.896 1.00 7.29 H new ATOM 0 HA GLU A 18 11.446 -4.089 -5.611 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.215 -2.875 -8.361 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.678 -2.718 -7.408 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.760 -5.216 -7.171 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.337 -5.341 -8.186 1.00 12.65 H new ATOM 302 N PRO A 19 11.944 -1.448 -4.880 1.00 7.24 N ATOM 303 CA PRO A 19 11.877 -0.114 -4.297 1.00 7.07 C ATOM 304 C PRO A 19 11.473 1.023 -5.136 1.00 6.65 C ATOM 305 O PRO A 19 10.974 2.046 -4.605 1.00 6.37 O ATOM 306 CB PRO A 19 13.291 0.127 -3.805 1.00 7.61 C ATOM 307 CG PRO A 19 13.780 -1.238 -3.456 1.00 8.16 C ATOM 308 CD PRO A 19 13.214 -2.165 -4.556 1.00 7.49 C ATOM 0 HA PRO A 19 11.075 -0.134 -3.560 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.909 0.590 -4.574 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.307 0.791 -2.941 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.869 -1.272 -3.434 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.432 -1.541 -2.468 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.879 -2.243 -5.416 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.039 -3.179 -4.196 1.00 7.49 H new ATOM 316 N SER A 20 11.760 0.972 -6.418 1.00 6.80 N ATOM 317 CA SER A 20 11.399 1.908 -7.441 1.00 6.28 C ATOM 318 C SER A 20 9.928 2.110 -7.615 1.00 8.45 C ATOM 319 O SER A 20 9.512 3.242 -7.850 1.00 7.26 O ATOM 320 CB SER A 20 11.958 1.530 -8.861 1.00 8.57 C ATOM 321 OG SER A 20 12.065 0.119 -9.017 1.00 11.13 O ATOM 0 H SER A 20 12.304 0.198 -6.798 1.00 6.80 H new ATOM 0 HA SER A 20 11.855 2.826 -7.071 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.302 1.934 -9.632 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.937 1.989 -9.003 1.00 8.57 H new ATOM 0 HG SER A 20 12.413 -0.086 -9.910 1.00 11.13 H new ATOM 327 N ASP A 21 9.093 1.059 -7.497 1.00 7.50 N ATOM 328 CA ASP A 21 7.656 1.133 -7.556 1.00 7.70 C ATOM 329 C ASP A 21 7.040 2.109 -6.535 1.00 7.08 C ATOM 330 O ASP A 21 7.556 2.393 -5.501 1.00 8.11 O ATOM 331 CB ASP A 21 6.976 -0.329 -7.302 1.00 11.00 C ATOM 332 CG ASP A 21 7.618 -1.301 -8.304 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.675 -0.829 -9.459 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.827 -2.487 -7.993 1.00 18.03 O ATOM 0 H ASP A 21 9.434 0.108 -7.353 1.00 7.50 H new ATOM 0 HA ASP A 21 7.444 1.500 -8.560 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.147 -0.662 -6.278 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.897 -0.283 -7.446 1.00 11.00 H new ATOM 339 N THR A 22 5.882 2.737 -6.939 1.00 5.37 N ATOM 340 CA THR A 22 5.230 3.741 -6.116 1.00 6.01 C ATOM 341 C THR A 22 4.128 3.126 -5.267 1.00 8.01 C ATOM 342 O THR A 22 3.602 2.036 -5.428 1.00 8.11 O ATOM 343 CB THR A 22 4.716 4.904 -6.886 1.00 8.92 C ATOM 344 OG1 THR A 22 3.762 4.500 -7.878 1.00 10.22 O ATOM 345 CG2 THR A 22 5.845 5.702 -7.596 1.00 9.65 C ATOM 0 H THR A 22 5.411 2.547 -7.823 1.00 5.37 H new ATOM 0 HA THR A 22 6.006 4.132 -5.458 1.00 6.01 H new ATOM 0 HB THR A 22 4.239 5.549 -6.148 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.443 5.288 -8.365 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.411 6.539 -8.142 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.547 6.079 -6.852 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.370 5.048 -8.292 1.00 9.65 H new ATOM 353 N ILE A 23 3.671 4.037 -4.352 1.00 8.32 N ATOM 354 CA ILE A 23 2.500 3.784 -3.542 1.00 9.92 C ATOM 355 C ILE A 23 1.284 3.746 -4.394 1.00 10.01 C ATOM 356 O ILE A 23 0.357 3.032 -3.996 1.00 8.71 O ATOM 357 CB ILE A 23 2.356 4.921 -2.512 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.568 5.172 -1.612 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.241 4.603 -1.468 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.297 3.930 -1.034 1.00 12.30 C ATOM 0 H ILE A 23 4.114 4.940 -4.180 1.00 8.32 H new ATOM 0 HA ILE A 23 2.611 2.824 -3.038 1.00 9.92 H new ATOM 0 HB ILE A 23 2.168 5.777 -3.160 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.294 5.755 -2.179 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.244 5.792 -0.776 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.165 5.424 -0.756 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.287 4.478 -1.981 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.491 3.684 -0.937 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.134 4.254 -0.416 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.602 3.350 -0.427 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.668 3.312 -1.852 1.00 12.30 H new ATOM 372 N GLU A 24 1.239 4.434 -5.582 1.00 9.54 N ATOM 373 CA GLU A 24 0.135 4.263 -6.525 1.00 11.81 C ATOM 374 C GLU A 24 0.135 2.886 -7.279 1.00 11.14 C ATOM 375 O GLU A 24 -0.900 2.249 -7.472 1.00 10.62 O ATOM 376 CB GLU A 24 -0.084 5.380 -7.549 1.00 19.24 C ATOM 377 CG GLU A 24 -1.429 5.286 -8.345 1.00 27.76 C ATOM 378 CD GLU A 24 -1.665 6.560 -9.223 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.629 7.732 -8.755 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.825 6.258 -10.451 1.00 34.80 O ATOM 0 H GLU A 24 1.953 5.096 -5.884 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.706 4.305 -5.833 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.050 6.339 -7.032 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.743 5.371 -8.259 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.415 4.401 -8.982 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.258 5.164 -7.648 1.00 27.76 H new ATOM 387 N ASN A 25 1.368 2.284 -7.497 1.00 9.43 N ATOM 388 CA ASN A 25 1.526 0.948 -8.035 1.00 10.96 C ATOM 389 C ASN A 25 1.317 -0.140 -6.963 1.00 9.68 C ATOM 390 O ASN A 25 0.961 -1.247 -7.323 1.00 9.33 O ATOM 391 CB ASN A 25 2.998 0.702 -8.492 1.00 16.78 C ATOM 392 CG ASN A 25 3.618 1.706 -9.474 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.847 1.917 -9.379 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.844 2.268 -10.436 1.00 24.70 N ATOM 0 H ASN A 25 2.254 2.746 -7.291 1.00 9.43 H new ATOM 0 HA ASN A 25 0.797 0.887 -8.843 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.625 0.673 -7.601 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.047 -0.287 -8.948 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.261 2.895 -11.124 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.845 2.064 -10.471 1.00 24.70 H new ATOM 401 N VAL A 26 1.482 0.116 -5.618 1.00 6.52 N ATOM 402 CA VAL A 26 1.055 -0.809 -4.615 1.00 5.53 C ATOM 403 C VAL A 26 -0.512 -0.988 -4.551 1.00 4.42 C ATOM 404 O VAL A 26 -1.055 -2.083 -4.472 1.00 3.40 O ATOM 405 CB VAL A 26 1.442 -0.453 -3.194 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.159 -1.617 -2.184 1.00 7.25 C ATOM 407 CG2 VAL A 26 2.987 -0.170 -3.159 1.00 8.12 C ATOM 0 H VAL A 26 1.911 0.965 -5.250 1.00 6.52 H new ATOM 0 HA VAL A 26 1.571 -1.712 -4.940 1.00 5.53 H new ATOM 0 HB VAL A 26 0.848 0.412 -2.900 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.455 -1.309 -1.181 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.095 -1.855 -2.192 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.730 -2.499 -2.476 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.287 0.089 -2.143 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.527 -1.060 -3.481 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.220 0.658 -3.828 1.00 8.12 H new ATOM 417 N LYS A 27 -1.223 0.137 -4.735 1.00 2.64 N ATOM 418 CA LYS A 27 -2.687 0.195 -4.671 1.00 4.14 C ATOM 419 C LYS A 27 -3.256 -0.466 -5.896 1.00 5.58 C ATOM 420 O LYS A 27 -4.245 -1.251 -5.922 1.00 4.11 O ATOM 421 CB LYS A 27 -3.228 1.652 -4.560 1.00 3.97 C ATOM 422 CG LYS A 27 -2.806 2.208 -3.195 1.00 7.45 C ATOM 423 CD LYS A 27 -3.203 3.637 -3.041 1.00 9.02 C ATOM 424 CE LYS A 27 -2.836 4.222 -1.692 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.380 5.539 -1.598 1.00 15.47 N ATOM 0 H LYS A 27 -0.790 1.039 -4.934 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.000 -0.328 -3.768 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.828 2.270 -5.364 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.313 1.665 -4.658 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.262 1.615 -2.402 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.726 2.115 -3.081 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.727 4.225 -3.825 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.280 3.725 -3.186 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.225 3.595 -0.890 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.753 4.252 -1.576 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.875 6.071 -0.861 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.272 6.025 -2.511 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.389 5.481 -1.354 1.00 15.47 H new ATOM 439 N ALA A 28 -2.604 -0.280 -7.083 1.00 6.61 N ATOM 440 CA ALA A 28 -2.918 -0.959 -8.335 1.00 7.74 C ATOM 441 C ALA A 28 -2.687 -2.518 -8.312 1.00 9.17 C ATOM 442 O ALA A 28 -3.454 -3.207 -8.929 1.00 11.45 O ATOM 443 CB ALA A 28 -2.025 -0.298 -9.383 1.00 7.68 C ATOM 0 H ALA A 28 -1.824 0.371 -7.175 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.983 -0.857 -8.545 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.204 -0.757 -10.355 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.253 0.767 -9.436 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.979 -0.431 -9.106 1.00 7.68 H new ATOM 449 N LYS A 29 -1.587 -3.003 -7.631 1.00 8.96 N ATOM 450 CA LYS A 29 -1.401 -4.424 -7.303 1.00 7.90 C ATOM 451 C LYS A 29 -2.439 -4.945 -6.362 1.00 6.92 C ATOM 452 O LYS A 29 -2.944 -6.076 -6.571 1.00 6.87 O ATOM 453 CB LYS A 29 -0.004 -4.646 -6.798 1.00 10.28 C ATOM 454 CG LYS A 29 0.746 -5.746 -7.576 1.00 14.94 C ATOM 455 CD LYS A 29 2.092 -6.024 -6.914 1.00 19.69 C ATOM 456 CE LYS A 29 3.159 -5.118 -7.372 1.00 22.63 C ATOM 457 NZ LYS A 29 3.679 -5.541 -8.711 1.00 24.98 N ATOM 0 H LYS A 29 -0.825 -2.406 -7.308 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.535 -5.003 -8.217 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.555 -3.713 -6.868 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.043 -4.916 -5.743 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.148 -6.657 -7.602 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.897 -5.434 -8.610 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.985 -5.932 -5.833 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.385 -7.054 -7.119 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.776 -4.099 -7.431 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.973 -5.111 -6.647 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.430 -4.888 -9.014 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.064 -6.505 -8.645 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.905 -5.524 -9.405 1.00 24.98 H new ATOM 471 N ILE A 30 -2.911 -4.141 -5.373 1.00 4.57 N ATOM 472 CA ILE A 30 -4.082 -4.566 -4.572 1.00 5.58 C ATOM 473 C ILE A 30 -5.432 -4.766 -5.363 1.00 7.26 C ATOM 474 O ILE A 30 -6.194 -5.717 -5.158 1.00 9.46 O ATOM 475 CB ILE A 30 -4.379 -3.824 -3.286 1.00 5.36 C ATOM 476 CG1 ILE A 30 -3.219 -3.993 -2.296 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.667 -4.250 -2.547 1.00 2.78 C ATOM 478 CD1 ILE A 30 -3.080 -5.422 -1.759 1.00 2.00 C ATOM 0 H ILE A 30 -2.517 -3.234 -5.121 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.690 -5.541 -4.283 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.518 -2.792 -3.609 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.289 -3.705 -2.785 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -3.364 -3.311 -1.458 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.781 -3.654 -1.641 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.528 -4.091 -3.196 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.602 -5.305 -2.282 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -2.241 -5.470 -1.065 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.996 -5.707 -1.241 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.904 -6.107 -2.589 1.00 2.00 H new ATOM 490 N GLN A 31 -5.647 -3.856 -6.331 1.00 7.06 N ATOM 491 CA GLN A 31 -6.800 -3.918 -7.246 1.00 8.67 C ATOM 492 C GLN A 31 -6.851 -5.190 -8.034 1.00 10.90 C ATOM 493 O GLN A 31 -7.854 -5.928 -8.130 1.00 9.63 O ATOM 494 CB GLN A 31 -6.675 -2.749 -8.215 1.00 9.12 C ATOM 495 CG GLN A 31 -7.896 -2.619 -9.165 1.00 10.76 C ATOM 496 CD GLN A 31 -7.817 -1.399 -10.065 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.759 -0.892 -10.441 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.980 -0.909 -10.523 1.00 14.76 N ATOM 0 H GLN A 31 -5.030 -3.062 -6.500 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.712 -3.874 -6.651 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.562 -1.825 -7.649 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.770 -2.872 -8.810 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.967 -3.515 -9.782 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.808 -2.567 -8.571 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.862 -1.321 -10.219 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.981 -0.125 -11.175 1.00 14.76 H new ATOM 507 N ASP A 32 -5.668 -5.586 -8.536 1.00 10.93 N ATOM 508 CA ASP A 32 -5.453 -6.896 -9.275 1.00 14.01 C ATOM 509 C ASP A 32 -5.808 -8.066 -8.340 1.00 14.04 C ATOM 510 O ASP A 32 -6.580 -8.929 -8.692 1.00 13.39 O ATOM 511 CB ASP A 32 -3.961 -7.073 -9.765 1.00 18.01 C ATOM 512 CG ASP A 32 -3.775 -8.396 -10.501 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.445 -8.582 -11.554 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.914 -9.190 -10.116 1.00 26.29 O ATOM 0 H ASP A 32 -4.820 -5.026 -8.454 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.095 -6.885 -10.155 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.691 -6.247 -10.423 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.287 -7.032 -8.909 1.00 18.01 H new ATOM 519 N LYS A 33 -5.341 -8.064 -7.098 1.00 14.22 N ATOM 520 CA LYS A 33 -5.527 -9.139 -6.184 1.00 14.00 C ATOM 521 C LYS A 33 -6.989 -9.263 -5.697 1.00 12.37 C ATOM 522 O LYS A 33 -7.641 -10.318 -5.757 1.00 12.17 O ATOM 523 CB LYS A 33 -4.547 -8.943 -4.974 1.00 18.62 C ATOM 524 CG LYS A 33 -3.074 -9.065 -5.431 1.00 24.00 C ATOM 525 CD LYS A 33 -2.556 -10.482 -5.687 1.00 27.61 C ATOM 526 CE LYS A 33 -1.088 -10.622 -5.806 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.720 -12.057 -5.729 1.00 30.06 N ATOM 0 H LYS A 33 -4.811 -7.285 -6.706 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.305 -10.072 -6.702 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.712 -7.965 -4.522 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.757 -9.688 -4.207 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.951 -8.486 -6.346 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.442 -8.602 -4.673 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.898 -11.125 -4.876 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.013 -10.855 -6.604 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.747 -10.198 -6.751 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.593 -10.065 -5.010 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.312 -12.156 -5.813 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.032 -12.447 -4.817 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.181 -12.576 -6.503 1.00 30.06 H new ATOM 541 N GLU A 34 -7.551 -8.168 -5.130 1.00 10.11 N ATOM 542 CA GLU A 34 -8.704 -8.161 -4.304 1.00 10.07 C ATOM 543 C GLU A 34 -9.798 -7.275 -4.819 1.00 9.32 C ATOM 544 O GLU A 34 -10.872 -7.170 -4.194 1.00 11.61 O ATOM 545 CB GLU A 34 -8.309 -7.697 -2.867 1.00 14.77 C ATOM 546 CG GLU A 34 -7.240 -8.535 -2.173 1.00 18.75 C ATOM 547 CD GLU A 34 -7.767 -9.728 -1.467 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.450 -9.559 -0.408 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.620 -10.852 -1.962 1.00 25.19 O ATOM 0 H GLU A 34 -7.164 -7.234 -5.266 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.092 -9.180 -4.298 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.958 -6.666 -2.921 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.205 -7.697 -2.246 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.510 -8.859 -2.915 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.710 -7.907 -1.457 1.00 18.75 H new ATOM 556 N GLY A 35 -9.588 -6.691 -6.007 1.00 7.22 N ATOM 557 CA GLY A 35 -10.625 -5.966 -6.738 1.00 6.29 C ATOM 558 C GLY A 35 -10.790 -4.520 -6.309 1.00 6.93 C ATOM 559 O GLY A 35 -11.414 -3.708 -6.999 1.00 7.41 O ATOM 0 H GLY A 35 -8.688 -6.711 -6.486 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.391 -5.993 -7.802 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.576 -6.483 -6.607 1.00 6.29 H new ATOM 563 N ILE A 36 -10.146 -4.149 -5.199 1.00 5.86 N ATOM 564 CA ILE A 36 -10.471 -2.864 -4.611 1.00 6.07 C ATOM 565 C ILE A 36 -9.905 -1.696 -5.464 1.00 6.36 C ATOM 566 O ILE A 36 -8.721 -1.712 -5.646 1.00 6.18 O ATOM 567 CB ILE A 36 -9.826 -2.737 -3.198 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.154 -3.950 -2.276 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.315 -1.488 -2.545 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.452 -3.955 -0.891 1.00 9.49 C ATOM 0 H ILE A 36 -9.433 -4.694 -4.715 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.558 -2.807 -4.559 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.745 -2.711 -3.337 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.232 -3.980 -2.116 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.884 -4.866 -2.802 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.866 -1.395 -1.556 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.036 -0.627 -3.152 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.400 -1.528 -2.449 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.752 -4.843 -0.334 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.371 -3.963 -1.031 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.739 -3.063 -0.334 1.00 9.49 H new ATOM 582 N PRO A 37 -10.692 -0.698 -5.862 1.00 8.65 N ATOM 583 CA PRO A 37 -10.170 0.406 -6.678 1.00 9.18 C ATOM 584 C PRO A 37 -9.266 1.268 -5.836 1.00 9.85 C ATOM 585 O PRO A 37 -9.655 1.573 -4.706 1.00 8.51 O ATOM 586 CB PRO A 37 -11.411 1.045 -7.223 1.00 11.42 C ATOM 587 CG PRO A 37 -12.480 0.845 -6.147 1.00 9.27 C ATOM 588 CD PRO A 37 -12.165 -0.589 -5.670 1.00 8.33 C ATOM 0 HA PRO A 37 -9.523 0.132 -7.511 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.251 2.104 -7.425 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.710 0.583 -8.164 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.394 1.574 -5.342 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.489 0.932 -6.549 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.447 -0.737 -4.628 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.703 -1.335 -6.255 1.00 8.33 H new ATOM 596 N PRO A 38 -8.116 1.713 -6.348 1.00 8.71 N ATOM 597 CA PRO A 38 -7.226 2.681 -5.642 1.00 9.08 C ATOM 598 C PRO A 38 -7.783 3.936 -5.057 1.00 9.28 C ATOM 599 O PRO A 38 -7.160 4.562 -4.216 1.00 6.50 O ATOM 600 CB PRO A 38 -6.188 2.963 -6.740 1.00 10.31 C ATOM 601 CG PRO A 38 -6.101 1.787 -7.673 1.00 10.81 C ATOM 602 CD PRO A 38 -7.559 1.418 -7.686 1.00 12.00 C ATOM 0 HA PRO A 38 -6.880 2.239 -4.707 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.466 3.859 -7.295 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.214 3.156 -6.291 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.722 2.054 -8.659 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.464 0.989 -7.292 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.089 1.984 -8.453 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.683 0.362 -7.926 1.00 12.00 H new ATOM 610 N ASP A 39 -8.950 4.373 -5.528 1.00 11.20 N ATOM 611 CA ASP A 39 -9.738 5.544 -5.064 1.00 14.96 C ATOM 612 C ASP A 39 -10.339 5.397 -3.742 1.00 13.99 C ATOM 613 O ASP A 39 -10.753 6.313 -3.079 1.00 13.75 O ATOM 614 CB ASP A 39 -10.928 5.792 -6.063 1.00 24.16 C ATOM 615 CG ASP A 39 -10.456 6.451 -7.360 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.564 7.380 -7.337 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.972 6.127 -8.478 1.00 34.22 O ATOM 0 H ASP A 39 -9.414 3.893 -6.299 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.022 6.365 -5.017 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.412 4.843 -6.293 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.677 6.425 -5.586 1.00 24.16 H new ATOM 622 N GLN A 40 -10.403 4.206 -3.222 1.00 11.60 N ATOM 623 CA GLN A 40 -10.916 3.747 -1.928 1.00 10.76 C ATOM 624 C GLN A 40 -9.864 3.233 -0.996 1.00 8.01 C ATOM 625 O GLN A 40 -10.181 2.607 0.000 1.00 8.96 O ATOM 626 CB GLN A 40 -11.987 2.696 -2.166 1.00 11.14 C ATOM 627 CG GLN A 40 -13.221 3.244 -2.915 1.00 14.85 C ATOM 628 CD GLN A 40 -14.374 2.207 -3.069 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.812 1.960 -4.177 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.841 1.558 -1.986 1.00 18.16 N ATOM 0 H GLN A 40 -10.052 3.412 -3.758 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.336 4.618 -1.425 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.559 1.873 -2.738 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.304 2.286 -1.207 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.599 4.117 -2.384 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.914 3.581 -3.905 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.467 1.773 -1.062 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.569 0.851 -2.090 1.00 18.16 H new ATOM 639 N GLN A 41 -8.585 3.394 -1.318 1.00 6.52 N ATOM 640 CA GLN A 41 -7.468 2.749 -0.591 1.00 3.87 C ATOM 641 C GLN A 41 -6.551 3.689 0.039 1.00 4.79 C ATOM 642 O GLN A 41 -5.962 4.562 -0.575 1.00 6.34 O ATOM 643 CB GLN A 41 -6.655 1.836 -1.484 1.00 4.20 C ATOM 644 CG GLN A 41 -7.361 0.627 -2.111 1.00 3.20 C ATOM 645 CD GLN A 41 -6.292 -0.198 -2.824 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.165 -0.397 -2.357 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.690 -0.769 -3.981 1.00 7.13 N ATOM 0 H GLN A 41 -8.279 3.979 -2.096 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.965 2.173 0.190 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.244 2.440 -2.293 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.811 1.465 -0.903 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.859 0.032 -1.345 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.129 0.951 -2.813 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.626 -0.588 -4.344 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.055 -1.382 -4.492 1.00 7.13 H new ATOM 656 N ARG A 42 -6.351 3.482 1.352 1.00 5.73 N ATOM 657 CA ARG A 42 -5.464 4.299 2.116 1.00 6.97 C ATOM 658 C ARG A 42 -4.366 3.431 2.704 1.00 7.15 C ATOM 659 O ARG A 42 -4.602 2.214 2.908 1.00 7.33 O ATOM 660 CB ARG A 42 -6.151 5.021 3.307 1.00 13.23 C ATOM 661 CG ARG A 42 -6.782 6.337 2.966 1.00 21.27 C ATOM 662 CD ARG A 42 -7.030 7.207 4.178 1.00 26.14 C ATOM 663 NE ARG A 42 -7.407 8.501 3.622 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.755 9.637 4.250 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.308 9.655 5.469 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.772 10.751 3.564 1.00 36.39 N ATOM 0 H ARG A 42 -6.808 2.743 1.887 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.085 5.054 1.427 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.916 4.363 3.720 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.412 5.181 4.092 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.138 6.872 2.268 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.728 6.158 2.455 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.822 6.798 4.806 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.138 7.286 4.800 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.407 8.552 2.603 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.483 8.780 5.963 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.555 10.544 5.904 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.524 10.744 2.575 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.033 11.626 4.019 1.00 36.39 H new ATOM 680 N LEU A 43 -3.101 3.989 2.799 1.00 4.65 N ATOM 681 CA LEU A 43 -1.978 3.132 3.224 1.00 3.51 C ATOM 682 C LEU A 43 -1.199 3.796 4.367 1.00 5.56 C ATOM 683 O LEU A 43 -0.888 4.978 4.336 1.00 4.19 O ATOM 684 CB LEU A 43 -1.076 2.706 2.055 1.00 3.74 C ATOM 685 CG LEU A 43 -1.592 1.514 1.119 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.624 1.524 -0.045 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.580 0.185 1.765 1.00 6.41 C ATOM 0 H LEU A 43 -2.866 4.961 2.598 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.399 2.202 3.607 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.907 3.579 1.425 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.108 2.417 2.465 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.635 1.673 0.847 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.894 0.737 -0.749 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.668 2.491 -0.547 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.388 1.352 0.322 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.944 -0.564 1.062 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.562 -0.064 2.066 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.225 0.202 2.644 1.00 6.41 H new ATOM 699 N ILE A 44 -0.876 2.963 5.423 1.00 4.58 N ATOM 700 CA ILE A 44 -0.105 3.456 6.560 1.00 5.55 C ATOM 701 C ILE A 44 1.124 2.565 6.773 1.00 5.46 C ATOM 702 O ILE A 44 1.118 1.336 6.867 1.00 6.04 O ATOM 703 CB ILE A 44 -0.892 3.505 7.880 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.129 4.372 7.754 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.064 3.943 9.050 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.067 4.290 8.980 1.00 13.90 C ATOM 0 H ILE A 44 -1.143 1.980 5.482 1.00 4.58 H new ATOM 0 HA ILE A 44 0.170 4.480 6.308 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.262 2.508 8.121 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.823 5.408 7.609 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.682 4.075 6.863 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.496 3.977 9.984 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.879 3.225 9.142 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.472 4.931 8.836 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.931 4.935 8.821 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.402 3.261 9.114 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.530 4.615 9.871 1.00 13.90 H new ATOM 718 N PHE A 45 2.321 3.138 6.949 1.00 6.75 N ATOM 719 CA PHE A 45 3.610 2.485 7.240 1.00 4.70 C ATOM 720 C PHE A 45 4.107 3.084 8.468 1.00 6.34 C ATOM 721 O PHE A 45 4.435 4.245 8.576 1.00 5.45 O ATOM 722 CB PHE A 45 4.498 2.668 6.052 1.00 5.51 C ATOM 723 CG PHE A 45 5.837 1.920 6.218 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.809 0.525 6.446 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.059 2.672 6.093 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.061 -0.141 6.392 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.273 1.964 6.165 1.00 6.64 C ATOM 728 CZ PHE A 45 8.255 0.566 6.281 1.00 6.84 C ATOM 0 H PHE A 45 2.425 4.151 6.887 1.00 6.75 H new ATOM 0 HA PHE A 45 3.542 1.409 7.403 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.989 2.308 5.158 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.691 3.730 5.902 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.889 -0.003 6.649 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.044 3.742 5.949 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.088 -1.220 6.438 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.213 2.494 6.131 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.190 0.025 6.284 1.00 6.84 H new ATOM 738 N ALA A 46 4.248 2.297 9.540 1.00 6.53 N ATOM 739 CA ALA A 46 4.885 2.717 10.832 1.00 7.15 C ATOM 740 C ALA A 46 4.255 3.965 11.377 1.00 9.00 C ATOM 741 O ALA A 46 4.913 4.920 11.832 1.00 11.15 O ATOM 742 CB ALA A 46 6.439 2.683 10.810 1.00 8.99 C ATOM 0 H ALA A 46 3.923 1.330 9.553 1.00 6.53 H new ATOM 0 HA ALA A 46 4.660 1.950 11.573 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.824 3.000 11.779 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.778 1.669 10.599 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.807 3.357 10.036 1.00 8.99 H new ATOM 748 N GLY A 47 2.925 3.960 11.358 1.00 9.35 N ATOM 749 CA GLY A 47 2.115 5.041 11.883 1.00 11.68 C ATOM 750 C GLY A 47 2.051 6.321 11.104 1.00 11.14 C ATOM 751 O GLY A 47 1.552 7.298 11.611 1.00 13.93 O ATOM 0 H GLY A 47 2.378 3.191 10.971 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.097 4.669 11.997 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.482 5.277 12.882 1.00 11.68 H new ATOM 755 N LYS A 48 2.534 6.400 9.847 1.00 10.47 N ATOM 756 CA LYS A 48 2.317 7.612 8.983 1.00 8.82 C ATOM 757 C LYS A 48 1.607 7.247 7.754 1.00 7.68 C ATOM 758 O LYS A 48 1.751 6.136 7.284 1.00 6.47 O ATOM 759 CB LYS A 48 3.506 8.569 8.773 1.00 9.74 C ATOM 760 CG LYS A 48 4.698 8.003 7.992 1.00 14.14 C ATOM 761 CD LYS A 48 5.768 9.041 7.743 1.00 16.32 C ATOM 762 CE LYS A 48 6.969 8.535 6.946 1.00 20.04 C ATOM 763 NZ LYS A 48 7.908 9.606 6.761 1.00 23.92 N ATOM 0 H LYS A 48 3.071 5.658 9.399 1.00 10.47 H new ATOM 0 HA LYS A 48 1.674 8.258 9.580 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.145 9.456 8.252 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.860 8.896 9.751 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.128 7.168 8.545 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.349 7.608 7.038 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.323 9.882 7.211 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.119 9.420 8.703 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.445 7.707 7.472 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.642 8.153 5.979 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.725 9.261 6.218 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.451 10.383 6.242 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.229 9.951 7.688 1.00 23.92 H new ATOM 777 N GLN A 49 0.797 8.153 7.173 1.00 8.89 N ATOM 778 CA GLN A 49 0.067 7.924 5.894 1.00 7.18 C ATOM 779 C GLN A 49 1.059 8.203 4.771 1.00 8.23 C ATOM 780 O GLN A 49 2.002 8.964 4.925 1.00 9.70 O ATOM 781 CB GLN A 49 -1.326 8.695 5.759 1.00 11.67 C ATOM 782 CG GLN A 49 -2.494 8.040 6.545 1.00 15.82 C ATOM 783 CD GLN A 49 -3.751 8.911 6.314 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.265 9.019 5.191 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.160 9.569 7.390 1.00 20.67 N ATOM 0 H GLN A 49 0.624 9.074 7.575 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.273 6.889 5.847 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.197 9.719 6.108 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.598 8.750 4.705 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.665 7.020 6.200 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.257 7.982 7.607 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.688 9.429 8.283 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.947 10.215 7.324 1.00 20.67 H new ATOM 794 N LEU A 50 0.883 7.463 3.627 1.00 6.51 N ATOM 795 CA LEU A 50 1.825 7.552 2.496 1.00 7.41 C ATOM 796 C LEU A 50 1.097 8.150 1.264 1.00 8.27 C ATOM 797 O LEU A 50 -0.049 7.771 0.952 1.00 8.34 O ATOM 798 CB LEU A 50 2.434 6.162 2.136 1.00 7.13 C ATOM 799 CG LEU A 50 2.898 5.322 3.308 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.244 4.021 2.692 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.075 5.927 4.132 1.00 9.11 C ATOM 0 H LEU A 50 0.109 6.816 3.481 1.00 6.51 H new ATOM 0 HA LEU A 50 2.649 8.202 2.792 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.690 5.594 1.578 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.281 6.319 1.468 1.00 7.13 H new ATOM 0 HG LEU A 50 2.117 5.249 4.065 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.594 3.335 3.463 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.362 3.602 2.207 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.030 4.167 1.951 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.333 5.252 4.948 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.941 6.062 3.484 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.775 6.892 4.541 1.00 9.11 H new ATOM 813 N GLU A 51 1.747 9.107 0.560 1.00 9.43 N ATOM 814 CA GLU A 51 1.275 9.793 -0.632 1.00 11.90 C ATOM 815 C GLU A 51 1.451 8.962 -1.897 1.00 11.49 C ATOM 816 O GLU A 51 2.310 8.077 -1.962 1.00 9.88 O ATOM 817 CB GLU A 51 1.761 11.226 -0.782 1.00 16.56 C ATOM 818 CG GLU A 51 1.461 12.153 0.469 1.00 26.06 C ATOM 819 CD GLU A 51 -0.062 12.189 0.784 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.797 12.442 -0.199 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.451 12.004 1.953 1.00 33.44 O ATOM 0 H GLU A 51 2.673 9.430 0.841 1.00 9.43 H new ATOM 0 HA GLU A 51 0.201 9.899 -0.478 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.836 11.215 -0.962 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.295 11.665 -1.664 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.007 11.785 1.338 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.819 13.163 0.272 1.00 26.06 H new ATOM 828 N ASP A 52 0.618 9.133 -2.932 1.00 12.71 N ATOM 829 CA ASP A 52 0.469 8.243 -4.085 1.00 16.56 C ATOM 830 C ASP A 52 1.653 8.210 -5.010 1.00 15.83 C ATOM 831 O ASP A 52 2.050 7.198 -5.475 1.00 17.21 O ATOM 832 CB ASP A 52 -0.885 8.439 -4.758 1.00 21.05 C ATOM 833 CG ASP A 52 -1.966 8.256 -3.755 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.355 9.193 -3.027 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.409 7.130 -3.616 1.00 25.82 O ATOM 0 H ASP A 52 -0.003 9.941 -2.988 1.00 12.71 H new ATOM 0 HA ASP A 52 0.467 7.223 -3.700 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.945 9.435 -5.196 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.005 7.725 -5.573 1.00 21.05 H new ATOM 840 N GLY A 53 2.234 9.324 -5.393 1.00 15.00 N ATOM 841 CA GLY A 53 3.293 9.430 -6.361 1.00 11.77 C ATOM 842 C GLY A 53 4.731 9.078 -5.904 1.00 11.10 C ATOM 843 O GLY A 53 5.650 9.111 -6.701 1.00 11.25 O ATOM 0 H GLY A 53 1.962 10.231 -5.013 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.042 8.785 -7.203 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.302 10.454 -6.736 1.00 11.77 H new ATOM 847 N ARG A 54 4.836 8.742 -4.581 1.00 8.53 N ATOM 848 CA ARG A 54 6.101 8.427 -3.950 1.00 9.05 C ATOM 849 C ARG A 54 6.508 6.991 -4.073 1.00 8.96 C ATOM 850 O ARG A 54 5.694 6.044 -4.070 1.00 11.60 O ATOM 851 CB ARG A 54 6.049 8.776 -2.449 1.00 7.97 C ATOM 852 CG ARG A 54 6.009 10.333 -2.087 1.00 9.62 C ATOM 853 CD ARG A 54 7.445 10.784 -1.849 1.00 12.20 C ATOM 854 NE ARG A 54 7.286 12.262 -1.498 1.00 18.23 N ATOM 855 CZ ARG A 54 8.364 12.982 -1.166 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.577 12.485 -1.187 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.307 14.284 -0.717 1.00 23.38 N ATOM 0 H ARG A 54 4.036 8.690 -3.950 1.00 8.53 H new ATOM 0 HA ARG A 54 6.841 9.027 -4.480 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.168 8.301 -2.017 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.919 8.334 -1.964 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.557 10.904 -2.898 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.401 10.505 -1.199 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.915 10.225 -1.040 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.064 10.644 -2.735 1.00 12.20 H new ATOM 0 HE ARG A 54 6.364 12.698 -1.517 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.726 11.515 -1.464 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.372 13.069 -0.926 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.406 14.752 -0.622 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.166 14.780 -0.480 1.00 23.38 H new ATOM 871 N THR A 55 7.866 6.808 -4.191 1.00 9.05 N ATOM 872 CA THR A 55 8.485 5.523 -4.212 1.00 9.03 C ATOM 873 C THR A 55 8.517 4.795 -2.883 1.00 8.15 C ATOM 874 O THR A 55 8.460 5.407 -1.824 1.00 5.91 O ATOM 875 CB THR A 55 9.892 5.426 -4.806 1.00 11.15 C ATOM 876 OG1 THR A 55 10.850 6.215 -4.152 1.00 11.95 O ATOM 877 CG2 THR A 55 9.828 6.036 -6.201 1.00 11.71 C ATOM 0 H THR A 55 8.527 7.581 -4.272 1.00 9.05 H new ATOM 0 HA THR A 55 7.793 5.036 -4.899 1.00 9.03 H new ATOM 0 HB THR A 55 10.177 4.376 -4.743 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.721 6.099 -4.586 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.813 5.988 -6.665 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.114 5.480 -6.809 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.511 7.076 -6.129 1.00 11.71 H new ATOM 885 N LEU A 56 8.563 3.428 -2.992 1.00 6.91 N ATOM 886 CA LEU A 56 8.793 2.524 -1.826 1.00 8.29 C ATOM 887 C LEU A 56 10.084 2.955 -1.106 1.00 8.05 C ATOM 888 O LEU A 56 10.136 3.264 0.044 1.00 10.17 O ATOM 889 CB LEU A 56 8.708 1.052 -2.225 1.00 6.60 C ATOM 890 CG LEU A 56 7.286 0.585 -2.511 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.390 -0.857 -2.956 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.303 0.853 -1.394 1.00 8.64 C ATOM 0 H LEU A 56 8.443 2.934 -3.876 1.00 6.91 H new ATOM 0 HA LEU A 56 7.992 2.624 -1.094 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.322 0.887 -3.110 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.130 0.442 -1.426 1.00 6.60 H new ATOM 0 HG LEU A 56 6.841 1.178 -3.310 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.394 -1.243 -3.175 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.008 -0.918 -3.852 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.843 -1.451 -2.162 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.317 0.489 -1.682 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.630 0.339 -0.490 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.252 1.925 -1.203 1.00 8.64 H new ATOM 904 N SER A 57 11.168 3.124 -1.820 1.00 8.92 N ATOM 905 CA SER A 57 12.495 3.666 -1.451 1.00 9.00 C ATOM 906 C SER A 57 12.402 4.907 -0.571 1.00 9.44 C ATOM 907 O SER A 57 13.014 4.981 0.498 1.00 10.91 O ATOM 908 CB SER A 57 13.451 3.869 -2.723 1.00 10.32 C ATOM 909 OG SER A 57 14.793 3.503 -2.464 1.00 13.59 O ATOM 0 H SER A 57 11.162 2.857 -2.804 1.00 8.92 H new ATOM 0 HA SER A 57 12.974 2.905 -0.835 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.072 3.276 -3.555 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.417 4.913 -3.034 1.00 10.32 H new ATOM 0 HG SER A 57 15.332 3.644 -3.270 1.00 13.59 H new ATOM 915 N ASP A 58 11.523 5.910 -0.918 1.00 9.11 N ATOM 916 CA ASP A 58 11.423 7.239 -0.347 1.00 7.91 C ATOM 917 C ASP A 58 10.937 7.175 1.073 1.00 9.12 C ATOM 918 O ASP A 58 11.236 7.990 1.957 1.00 8.61 O ATOM 919 CB ASP A 58 10.430 8.023 -1.223 1.00 8.41 C ATOM 920 CG ASP A 58 10.866 9.413 -1.217 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.471 9.919 -0.234 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.549 10.142 -2.185 1.00 11.70 O ATOM 0 H ASP A 58 10.834 5.768 -1.657 1.00 9.11 H new ATOM 0 HA ASP A 58 12.398 7.726 -0.328 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.415 7.627 -2.239 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.417 7.935 -0.832 1.00 8.41 H new ATOM 927 N TYR A 59 10.097 6.178 1.244 1.00 7.97 N ATOM 928 CA TYR A 59 9.502 5.828 2.516 1.00 8.45 C ATOM 929 C TYR A 59 10.275 4.816 3.304 1.00 10.98 C ATOM 930 O TYR A 59 9.707 4.319 4.307 1.00 12.95 O ATOM 931 CB TYR A 59 8.036 5.418 2.272 1.00 7.94 C ATOM 932 CG TYR A 59 7.124 6.648 2.082 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.037 7.666 3.040 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.233 6.628 1.015 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.191 8.783 2.765 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.355 7.654 0.821 1.00 6.52 C ATOM 937 CZ TYR A 59 5.267 8.777 1.712 1.00 6.76 C ATOM 938 OH TYR A 59 4.409 9.805 1.473 1.00 7.63 O ATOM 0 H TYR A 59 9.800 5.571 0.480 1.00 7.97 H new ATOM 0 HA TYR A 59 9.532 6.708 3.158 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.978 4.782 1.389 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.678 4.826 3.115 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.595 7.608 3.963 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.236 5.791 0.332 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.266 9.661 3.389 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.700 7.620 -0.037 1.00 6.52 H new ATOM 0 HH TYR A 59 4.881 10.521 0.998 1.00 7.63 H new ATOM 948 N ASN A 60 11.479 4.463 2.866 1.00 12.38 N ATOM 949 CA ASN A 60 12.298 3.427 3.417 1.00 13.94 C ATOM 950 C ASN A 60 11.565 2.026 3.639 1.00 14.16 C ATOM 951 O ASN A 60 11.684 1.366 4.687 1.00 14.26 O ATOM 952 CB ASN A 60 13.051 3.894 4.662 1.00 19.23 C ATOM 953 CG ASN A 60 13.715 5.226 4.539 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.365 6.212 5.255 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.745 5.329 3.683 1.00 24.09 N ATOM 0 H ASN A 60 11.920 4.927 2.072 1.00 12.38 H new ATOM 0 HA ASN A 60 13.034 3.219 2.640 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.352 3.930 5.498 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.808 3.150 4.910 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.256 6.208 3.603 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.016 4.528 3.113 1.00 24.09 H new ATOM 962 N ILE A 61 10.762 1.680 2.629 1.00 11.08 N ATOM 963 CA ILE A 61 10.049 0.435 2.599 1.00 11.78 C ATOM 964 C ILE A 61 10.972 -0.593 1.962 1.00 13.74 C ATOM 965 O ILE A 61 11.385 -0.430 0.828 1.00 14.60 O ATOM 966 CB ILE A 61 8.671 0.366 1.927 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.604 1.226 2.621 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.230 -1.111 1.733 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.489 1.708 1.732 1.00 11.42 C ATOM 0 H ILE A 61 10.599 2.270 1.813 1.00 11.08 H new ATOM 0 HA ILE A 61 9.792 0.252 3.642 1.00 11.78 H new ATOM 0 HB ILE A 61 8.775 0.813 0.938 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.171 0.649 3.439 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.092 2.093 3.066 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.251 -1.139 1.255 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.955 -1.628 1.104 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.174 -1.605 2.703 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.790 2.305 2.317 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.902 2.317 0.928 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.967 0.851 1.306 1.00 11.42 H new ATOM 981 N GLN A 62 11.345 -1.625 2.748 1.00 13.97 N ATOM 982 CA GLN A 62 12.428 -2.579 2.474 1.00 15.52 C ATOM 983 C GLN A 62 11.877 -3.952 2.463 1.00 13.94 C ATOM 984 O GLN A 62 10.697 -4.152 2.687 1.00 12.15 O ATOM 985 CB GLN A 62 13.581 -2.482 3.552 1.00 19.53 C ATOM 986 CG GLN A 62 14.149 -1.040 3.666 1.00 26.38 C ATOM 987 CD GLN A 62 14.936 -0.852 4.957 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.172 -1.768 5.776 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.379 0.366 5.195 1.00 32.71 N ATOM 0 H GLN A 62 10.874 -1.820 3.631 1.00 13.97 H new ATOM 0 HA GLN A 62 12.857 -2.334 1.503 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.198 -2.799 4.522 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.385 -3.169 3.286 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.794 -0.833 2.812 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.330 -0.321 3.629 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.190 1.116 4.531 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.911 0.558 6.043 1.00 32.71 H new ATOM 998 N LYS A 63 12.777 -4.965 2.168 1.00 11.73 N ATOM 999 CA LYS A 63 12.382 -6.393 2.030 1.00 11.97 C ATOM 1000 C LYS A 63 11.612 -6.922 3.201 1.00 10.41 C ATOM 1001 O LYS A 63 12.106 -6.822 4.338 1.00 9.59 O ATOM 1002 CB LYS A 63 13.613 -7.308 1.890 1.00 13.73 C ATOM 1003 CG LYS A 63 13.301 -8.796 1.592 1.00 16.98 C ATOM 1004 CD LYS A 63 14.592 -9.637 1.498 1.00 20.19 C ATOM 1005 CE LYS A 63 15.241 -10.093 2.809 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.403 -10.901 3.736 1.00 25.97 N ATOM 0 H LYS A 63 13.773 -4.801 2.025 1.00 11.73 H new ATOM 0 HA LYS A 63 11.755 -6.407 1.138 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.245 -6.919 1.092 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.193 -7.253 2.811 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.660 -9.198 2.376 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.747 -8.872 0.656 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.371 -10.525 0.906 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.330 -9.058 0.942 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.129 -10.675 2.562 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.579 -9.206 3.345 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.132 -10.320 4.555 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.546 -11.221 3.240 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.944 -11.728 4.061 1.00 25.97 H new ATOM 1020 N GLU A 64 10.416 -7.535 2.946 1.00 10.04 N ATOM 1021 CA GLU A 64 9.599 -8.125 3.979 1.00 10.94 C ATOM 1022 C GLU A 64 9.176 -7.170 5.114 1.00 9.74 C ATOM 1023 O GLU A 64 8.922 -7.526 6.234 1.00 9.42 O ATOM 1024 CB GLU A 64 10.281 -9.386 4.584 1.00 18.31 C ATOM 1025 CG GLU A 64 10.258 -10.612 3.670 1.00 24.16 C ATOM 1026 CD GLU A 64 11.134 -11.716 4.154 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.951 -12.208 5.329 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.038 -12.184 3.423 1.00 31.72 O ATOM 0 H GLU A 64 10.019 -7.618 2.010 1.00 10.04 H new ATOM 0 HA GLU A 64 8.679 -8.399 3.464 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.317 -9.145 4.824 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.787 -9.637 5.522 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.234 -10.978 3.587 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.573 -10.318 2.669 1.00 24.16 H new ATOM 1035 N SER A 65 9.022 -5.887 4.793 1.00 6.85 N ATOM 1036 CA SER A 65 8.332 -4.869 5.642 1.00 6.90 C ATOM 1037 C SER A 65 6.788 -5.010 5.665 1.00 4.72 C ATOM 1038 O SER A 65 6.257 -5.499 4.678 1.00 3.91 O ATOM 1039 CB SER A 65 8.568 -3.449 5.151 1.00 7.28 C ATOM 1040 OG SER A 65 9.935 -3.139 5.051 1.00 10.56 O ATOM 0 H SER A 65 9.375 -5.499 3.918 1.00 6.85 H new ATOM 0 HA SER A 65 8.759 -5.051 6.628 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.097 -3.321 4.177 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.087 -2.747 5.832 1.00 7.28 H new ATOM 0 HG SER A 65 10.361 -3.742 4.406 1.00 10.56 H new ATOM 1046 N THR A 66 6.098 -4.478 6.694 1.00 4.48 N ATOM 1047 CA THR A 66 4.659 -4.663 6.769 1.00 3.80 C ATOM 1048 C THR A 66 3.999 -3.349 6.544 1.00 4.60 C ATOM 1049 O THR A 66 4.215 -2.405 7.254 1.00 5.33 O ATOM 1050 CB THR A 66 4.202 -5.150 8.115 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.736 -6.475 8.269 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.640 -5.393 8.108 1.00 3.40 C ATOM 0 H THR A 66 6.508 -3.936 7.455 1.00 4.48 H new ATOM 0 HA THR A 66 4.396 -5.407 6.018 1.00 3.80 H new ATOM 0 HB THR A 66 4.502 -4.429 8.876 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.465 -6.838 9.138 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.322 -5.746 9.089 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.128 -4.460 7.874 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.392 -6.141 7.356 1.00 3.40 H new ATOM 1060 N LEU A 67 3.166 -3.298 5.517 1.00 4.17 N ATOM 1061 CA LEU A 67 2.288 -2.199 5.146 1.00 3.85 C ATOM 1062 C LEU A 67 0.842 -2.450 5.511 1.00 3.80 C ATOM 1063 O LEU A 67 0.265 -3.546 5.380 1.00 5.54 O ATOM 1064 CB LEU A 67 2.369 -1.911 3.624 1.00 7.18 C ATOM 1065 CG LEU A 67 3.409 -0.920 3.186 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.854 -1.406 3.438 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.167 -0.628 1.685 1.00 11.66 C ATOM 0 H LEU A 67 3.079 -4.083 4.872 1.00 4.17 H new ATOM 0 HA LEU A 67 2.640 -1.338 5.714 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.556 -2.853 3.108 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.395 -1.553 3.292 1.00 7.18 H new ATOM 0 HG LEU A 67 3.309 -0.012 3.781 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.558 -0.645 3.100 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.997 -1.585 4.504 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.028 -2.331 2.888 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.906 0.090 1.330 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.257 -1.553 1.115 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.167 -0.216 1.551 1.00 11.66 H new ATOM 1079 N HIS A 68 0.113 -1.445 5.893 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.276 -1.487 6.416 1.00 4.17 C ATOM 1081 C HIS A 68 -2.232 -0.803 5.484 1.00 5.32 C ATOM 1082 O HIS A 68 -2.196 0.378 5.210 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.348 -0.770 7.774 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.375 -1.353 8.782 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.921 -0.913 8.879 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.524 -2.314 9.714 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.457 -1.514 9.924 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.662 -2.412 10.464 1.00 16.30 N ATOM 0 H HIS A 68 0.473 -0.491 5.856 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.553 -2.536 6.516 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.133 0.290 7.635 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.362 -0.841 8.167 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.383 -0.247 8.260 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.411 -2.913 9.862 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.446 -1.292 10.297 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.208 -1.606 5.004 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.327 -1.230 4.143 1.00 3.97 C ATOM 1098 C LEU A 69 -5.518 -0.783 5.054 1.00 5.07 C ATOM 1099 O LEU A 69 -6.137 -1.500 5.904 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.697 -2.489 3.387 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.799 -2.335 2.251 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.535 -1.202 1.216 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.990 -3.673 1.524 1.00 9.96 C ATOM 0 H LEU A 69 -3.226 -2.601 5.230 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.084 -0.415 3.461 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.792 -2.893 2.932 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.049 -3.228 4.106 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.708 -2.038 2.773 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.344 -1.181 0.485 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.487 -0.243 1.731 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.590 -1.388 0.706 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.746 -3.560 0.747 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.047 -3.979 1.071 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.313 -4.432 2.237 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.847 0.478 4.793 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.991 1.164 5.350 1.00 6.26 C ATOM 1117 C VAL A 70 -7.934 1.321 4.135 1.00 9.22 C ATOM 1118 O VAL A 70 -7.480 1.497 2.993 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.544 2.494 5.933 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.825 3.297 6.348 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.601 2.230 7.102 1.00 8.54 C ATOM 0 H VAL A 70 -5.300 1.065 4.164 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.486 0.642 6.169 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.993 3.094 5.209 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.531 4.258 6.770 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.451 3.462 5.471 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.385 2.730 7.092 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.274 3.179 7.527 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.121 1.650 7.865 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.733 1.672 6.751 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.256 1.287 4.256 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.200 1.474 3.197 1.00 16.06 C ATOM 1133 C LEU A 71 -11.090 2.658 3.383 1.00 18.09 C ATOM 1134 O LEU A 71 -11.995 2.613 4.204 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.983 0.207 2.965 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.099 -1.017 2.596 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.968 -2.262 2.628 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.361 -0.764 1.214 1.00 19.57 C ATOM 0 H LEU A 71 -9.709 1.117 5.154 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.624 1.699 2.299 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.554 -0.026 3.864 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.704 0.377 2.165 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.299 -1.167 3.321 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.365 -3.133 2.371 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.384 -2.390 3.627 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.780 -2.158 1.908 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.745 -1.629 0.967 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.101 -0.610 0.429 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.729 0.120 1.296 1.00 19.57 H new