USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 573 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 Single : A 1 MET CE :methyl 179:sc= -0.23 (180deg=-0.237) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.0817 (180deg=-0.136) USER MOD Single : A 2 GLN : amide:sc= -0.847 X(o=-0.85,f=-0.85) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 120:sc= -2.6! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -112:sc= 0.127 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 25 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0848 X(o=-0.085,f=-0.39) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.735 K(o=-0.73,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -15:sc= -4.32! USER MOD Single : A 60 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.76) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 13:sc= -3.92! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.0069) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.670 -5.487 4.762 1.00 0.00 N ATOM 2 CA MET A 1 -12.605 -4.835 6.058 1.00 0.00 C ATOM 3 C MET A 1 -11.783 -3.547 5.984 1.00 0.00 C ATOM 4 O MET A 1 -11.383 -3.123 4.901 1.00 0.00 O ATOM 5 CB MET A 1 -11.974 -5.785 7.078 1.00 0.00 C ATOM 6 CG MET A 1 -10.506 -6.053 6.742 1.00 0.00 C ATOM 7 SD MET A 1 -9.816 -7.218 7.905 1.00 0.00 S ATOM 8 CE MET A 1 -10.479 -8.740 7.249 1.00 0.00 C ATOM 0 H1 MET A 1 -13.160 -6.399 4.857 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.190 -4.882 4.095 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.706 -5.647 4.405 1.00 0.00 H new ATOM 0 HA MET A 1 -13.619 -4.580 6.365 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.050 -5.355 8.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.525 -6.725 7.094 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.422 -6.445 5.729 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.942 -5.121 6.770 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.129 -9.579 7.851 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.568 -8.704 7.275 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.145 -8.868 6.219 1.00 0.00 H new ATOM 18 N GLN A 2 -11.555 -2.960 7.150 1.00 0.00 N ATOM 19 CA GLN A 2 -10.787 -1.729 7.230 1.00 0.00 C ATOM 20 C GLN A 2 -9.294 -2.041 7.340 1.00 0.00 C ATOM 21 O GLN A 2 -8.911 -3.103 7.828 1.00 0.00 O ATOM 22 CB GLN A 2 -11.256 -0.867 8.404 1.00 0.00 C ATOM 23 CG GLN A 2 -10.405 0.398 8.529 1.00 0.00 C ATOM 24 CD GLN A 2 -11.163 1.498 9.276 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.232 1.524 10.494 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.727 2.402 8.480 1.00 0.00 N ATOM 0 H GLN A 2 -11.889 -3.314 8.047 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.952 -1.160 6.315 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.302 -0.594 8.264 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.197 -1.442 9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.479 0.167 9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.127 0.753 7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.631 2.321 7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.256 3.176 8.882 1.00 0.00 H new ATOM 35 N ILE A 3 -8.489 -1.095 6.879 1.00 0.00 N ATOM 36 CA ILE A 3 -7.045 -1.256 6.920 1.00 0.00 C ATOM 37 C ILE A 3 -6.396 0.087 7.260 1.00 0.00 C ATOM 38 O ILE A 3 -6.974 1.143 7.007 1.00 0.00 O ATOM 39 CB ILE A 3 -6.537 -1.869 5.613 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.931 -1.007 4.413 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.017 -3.315 5.465 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.995 0.195 4.270 1.00 0.00 C ATOM 0 H ILE A 3 -8.809 -0.215 6.475 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.762 -1.956 7.706 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.448 -1.893 5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.899 -1.607 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.958 -0.661 4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.643 -3.728 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.644 -3.909 6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.107 -3.338 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.297 0.791 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.047 0.806 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.973 -0.155 4.128 1.00 0.00 H new ATOM 54 N PHE A 4 -5.203 0.004 7.832 1.00 0.00 N ATOM 55 CA PHE A 4 -4.470 1.200 8.210 1.00 0.00 C ATOM 56 C PHE A 4 -3.136 1.284 7.465 1.00 0.00 C ATOM 57 O PHE A 4 -2.152 0.672 7.874 1.00 0.00 O ATOM 58 CB PHE A 4 -4.195 1.100 9.712 1.00 0.00 C ATOM 59 CG PHE A 4 -5.413 1.398 10.589 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.566 0.699 10.411 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.343 2.362 11.546 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.696 0.976 11.224 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.473 2.639 12.359 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.627 1.940 12.181 1.00 0.00 C ATOM 0 H PHE A 4 -4.726 -0.873 8.043 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.052 2.087 7.960 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.834 0.097 9.939 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.395 1.793 9.971 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.622 -0.067 9.651 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.427 2.917 11.687 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.611 0.421 11.083 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.417 3.404 13.119 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.487 2.151 12.799 1.00 0.00 H new ATOM 74 N VAL A 5 -3.148 2.049 6.383 1.00 0.00 N ATOM 75 CA VAL A 5 -1.951 2.221 5.576 1.00 0.00 C ATOM 76 C VAL A 5 -1.163 3.427 6.092 1.00 0.00 C ATOM 77 O VAL A 5 -1.749 4.401 6.562 1.00 0.00 O ATOM 78 CB VAL A 5 -2.330 2.343 4.098 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.524 3.808 3.701 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.284 1.667 3.208 1.00 0.00 C ATOM 0 H VAL A 5 -3.966 2.556 6.046 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.304 1.348 5.661 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.279 1.828 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.793 3.867 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.320 4.246 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.598 4.357 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.576 1.767 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.315 2.141 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.215 0.610 3.466 1.00 0.00 H new ATOM 90 N LYS A 6 0.154 3.321 5.987 1.00 0.00 N ATOM 91 CA LYS A 6 1.029 4.391 6.437 1.00 0.00 C ATOM 92 C LYS A 6 1.615 5.110 5.221 1.00 0.00 C ATOM 93 O LYS A 6 1.784 4.509 4.162 1.00 0.00 O ATOM 94 CB LYS A 6 2.086 3.848 7.400 1.00 0.00 C ATOM 95 CG LYS A 6 1.886 4.410 8.809 1.00 0.00 C ATOM 96 CD LYS A 6 2.879 3.790 9.794 1.00 0.00 C ATOM 97 CE LYS A 6 4.115 4.678 9.957 1.00 0.00 C ATOM 98 NZ LYS A 6 5.109 4.026 10.840 1.00 0.00 N ATOM 0 H LYS A 6 0.636 2.511 5.597 1.00 0.00 H new ATOM 0 HA LYS A 6 0.465 5.132 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.033 2.760 7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.081 4.109 7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.012 5.493 8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.867 4.212 9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.397 3.649 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.179 2.803 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.560 4.875 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.825 5.642 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.941 4.642 10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.686 3.860 11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.399 3.117 10.425 1.00 0.00 H new ATOM 112 N THR A 7 1.910 6.388 5.415 1.00 0.00 N ATOM 113 CA THR A 7 2.474 7.195 4.347 1.00 0.00 C ATOM 114 C THR A 7 3.975 7.398 4.567 1.00 0.00 C ATOM 115 O THR A 7 4.498 7.082 5.635 1.00 0.00 O ATOM 116 CB THR A 7 1.688 8.506 4.280 1.00 0.00 C ATOM 117 OG1 THR A 7 0.335 8.109 4.482 1.00 0.00 O ATOM 118 CG2 THR A 7 1.692 9.119 2.878 1.00 0.00 C ATOM 0 H THR A 7 1.769 6.883 6.295 1.00 0.00 H new ATOM 0 HA THR A 7 2.383 6.694 3.383 1.00 0.00 H new ATOM 0 HB THR A 7 2.109 9.219 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.020 8.551 5.281 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.121 10.047 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.718 9.327 2.575 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.240 8.420 2.174 1.00 0.00 H new ATOM 126 N LEU A 8 4.626 7.921 3.540 1.00 0.00 N ATOM 127 CA LEU A 8 6.057 8.170 3.607 1.00 0.00 C ATOM 128 C LEU A 8 6.338 9.215 4.688 1.00 0.00 C ATOM 129 O LEU A 8 7.484 9.408 5.087 1.00 0.00 O ATOM 130 CB LEU A 8 6.600 8.549 2.228 1.00 0.00 C ATOM 131 CG LEU A 8 8.116 8.438 2.052 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.528 6.997 1.744 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.617 9.416 0.987 1.00 0.00 C ATOM 0 H LEU A 8 4.189 8.180 2.655 1.00 0.00 H new ATOM 0 HA LEU A 8 6.589 7.263 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.120 7.914 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.303 9.575 2.012 1.00 0.00 H new ATOM 0 HG LEU A 8 8.590 8.715 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.610 6.946 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.223 6.348 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.045 6.669 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.697 9.317 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.137 9.193 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.374 10.436 1.286 1.00 0.00 H new ATOM 145 N THR A 9 5.270 9.864 5.130 1.00 0.00 N ATOM 146 CA THR A 9 5.387 10.885 6.157 1.00 0.00 C ATOM 147 C THR A 9 4.986 10.319 7.521 1.00 0.00 C ATOM 148 O THR A 9 4.585 11.065 8.413 1.00 0.00 O ATOM 149 CB THR A 9 4.547 12.088 5.726 1.00 0.00 C ATOM 150 OG1 THR A 9 5.161 12.527 4.518 1.00 0.00 O ATOM 151 CG2 THR A 9 4.698 13.279 6.675 1.00 0.00 C ATOM 0 H THR A 9 4.320 9.702 4.795 1.00 0.00 H new ATOM 0 HA THR A 9 6.419 11.216 6.270 1.00 0.00 H new ATOM 0 HB THR A 9 3.498 11.797 5.674 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.677 13.304 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.081 14.105 6.323 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.379 12.989 7.676 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.742 13.592 6.703 1.00 0.00 H new ATOM 159 N GLY A 10 5.106 9.005 7.640 1.00 0.00 N ATOM 160 CA GLY A 10 4.760 8.332 8.879 1.00 0.00 C ATOM 161 C GLY A 10 3.329 8.665 9.304 1.00 0.00 C ATOM 162 O GLY A 10 2.960 8.475 10.462 1.00 0.00 O ATOM 0 H GLY A 10 5.438 8.389 6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.864 7.254 8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.455 8.629 9.665 1.00 0.00 H new ATOM 166 N LYS A 11 2.560 9.156 8.343 1.00 0.00 N ATOM 167 CA LYS A 11 1.177 9.519 8.602 1.00 0.00 C ATOM 168 C LYS A 11 0.307 8.261 8.557 1.00 0.00 C ATOM 169 O LYS A 11 0.641 7.297 7.868 1.00 0.00 O ATOM 170 CB LYS A 11 0.721 10.617 7.640 1.00 0.00 C ATOM 171 CG LYS A 11 1.105 12.001 8.166 1.00 0.00 C ATOM 172 CD LYS A 11 0.400 13.104 7.372 1.00 0.00 C ATOM 173 CE LYS A 11 -0.677 13.785 8.219 1.00 0.00 C ATOM 174 NZ LYS A 11 -1.309 14.890 7.464 1.00 0.00 N ATOM 0 H LYS A 11 2.869 9.311 7.383 1.00 0.00 H new ATOM 0 HA LYS A 11 1.075 9.942 9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.173 10.458 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.359 10.562 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.839 12.080 9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.185 12.133 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.130 13.843 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.052 12.680 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.434 13.056 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.235 14.171 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.037 15.341 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.587 15.593 7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.748 14.513 6.600 1.00 0.00 H new ATOM 188 N THR A 12 -0.789 8.310 9.299 1.00 0.00 N ATOM 189 CA THR A 12 -1.708 7.186 9.352 1.00 0.00 C ATOM 190 C THR A 12 -2.945 7.467 8.495 1.00 0.00 C ATOM 191 O THR A 12 -3.644 8.456 8.713 1.00 0.00 O ATOM 192 CB THR A 12 -2.037 6.912 10.821 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.798 6.482 11.379 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.965 5.709 10.999 1.00 0.00 C ATOM 0 H THR A 12 -1.062 9.111 9.869 1.00 0.00 H new ATOM 0 HA THR A 12 -1.257 6.287 8.932 1.00 0.00 H new ATOM 0 HB THR A 12 -2.501 7.795 11.260 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.919 6.284 12.331 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.166 5.559 12.060 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.903 5.892 10.474 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.488 4.818 10.590 1.00 0.00 H new ATOM 202 N ILE A 13 -3.176 6.582 7.538 1.00 0.00 N ATOM 203 CA ILE A 13 -4.315 6.722 6.647 1.00 0.00 C ATOM 204 C ILE A 13 -5.154 5.443 6.693 1.00 0.00 C ATOM 205 O ILE A 13 -4.707 4.388 6.244 1.00 0.00 O ATOM 206 CB ILE A 13 -3.852 7.104 5.240 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.272 8.520 5.219 1.00 0.00 C ATOM 208 CG2 ILE A 13 -4.984 6.934 4.225 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.424 8.747 3.967 1.00 0.00 C ATOM 0 H ILE A 13 -2.593 5.764 7.360 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.958 7.537 6.977 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.052 6.424 4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.082 9.249 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.663 8.681 6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.628 7.212 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.310 5.894 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.821 7.574 4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.024 9.761 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.601 8.032 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.042 8.610 3.079 1.00 0.00 H new ATOM 221 N THR A 14 -6.353 5.578 7.238 1.00 0.00 N ATOM 222 CA THR A 14 -7.257 4.446 7.347 1.00 0.00 C ATOM 223 C THR A 14 -8.278 4.465 6.207 1.00 0.00 C ATOM 224 O THR A 14 -8.791 5.525 5.847 1.00 0.00 O ATOM 225 CB THR A 14 -7.898 4.485 8.736 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.842 4.907 9.594 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.262 3.091 9.252 1.00 0.00 C ATOM 0 H THR A 14 -6.720 6.454 7.609 1.00 0.00 H new ATOM 0 HA THR A 14 -6.721 3.502 7.246 1.00 0.00 H new ATOM 0 HB THR A 14 -8.793 5.106 8.705 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.592 4.171 10.192 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.713 3.175 10.241 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.971 2.624 8.568 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.362 2.480 9.315 1.00 0.00 H new ATOM 235 N LEU A 15 -8.541 3.283 5.671 1.00 0.00 N ATOM 236 CA LEU A 15 -9.491 3.152 4.579 1.00 0.00 C ATOM 237 C LEU A 15 -10.359 1.913 4.810 1.00 0.00 C ATOM 238 O LEU A 15 -9.850 0.852 5.168 1.00 0.00 O ATOM 239 CB LEU A 15 -8.763 3.151 3.233 1.00 0.00 C ATOM 240 CG LEU A 15 -9.584 3.609 2.026 1.00 0.00 C ATOM 241 CD1 LEU A 15 -9.033 4.915 1.452 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.665 2.507 0.968 1.00 0.00 C ATOM 0 H LEU A 15 -8.113 2.407 5.972 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.162 4.011 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.886 3.794 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.401 2.141 3.039 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.602 3.809 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.635 5.218 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.071 5.692 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.000 4.767 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.254 2.858 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.660 2.252 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.138 1.624 1.398 1.00 0.00 H new ATOM 254 N GLU A 16 -11.654 2.089 4.595 1.00 0.00 N ATOM 255 CA GLU A 16 -12.597 0.999 4.775 1.00 0.00 C ATOM 256 C GLU A 16 -12.906 0.336 3.432 1.00 0.00 C ATOM 257 O GLU A 16 -13.409 0.987 2.517 1.00 0.00 O ATOM 258 CB GLU A 16 -13.879 1.489 5.453 1.00 0.00 C ATOM 259 CG GLU A 16 -14.860 0.335 5.672 1.00 0.00 C ATOM 260 CD GLU A 16 -16.179 0.840 6.259 1.00 0.00 C ATOM 261 OE1 GLU A 16 -17.044 1.240 5.449 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.293 0.815 7.503 1.00 0.00 O ATOM 0 H GLU A 16 -12.073 2.970 4.298 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.141 0.255 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.635 1.950 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.348 2.258 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.049 -0.171 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.417 -0.401 6.343 1.00 0.00 H new ATOM 269 N VAL A 17 -12.594 -0.949 3.356 1.00 0.00 N ATOM 270 CA VAL A 17 -12.831 -1.707 2.139 1.00 0.00 C ATOM 271 C VAL A 17 -13.357 -3.096 2.503 1.00 0.00 C ATOM 272 O VAL A 17 -13.517 -3.414 3.681 1.00 0.00 O ATOM 273 CB VAL A 17 -11.557 -1.752 1.293 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.208 -0.364 0.753 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.391 -2.340 2.090 1.00 0.00 C ATOM 0 H VAL A 17 -12.179 -1.485 4.118 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.592 -1.221 1.529 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.743 -2.405 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.299 -0.424 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.026 0.001 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.050 0.321 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.498 -2.361 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.205 -1.724 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.639 -3.354 2.403 1.00 0.00 H new ATOM 285 N GLU A 18 -13.611 -3.887 1.471 1.00 0.00 N ATOM 286 CA GLU A 18 -14.116 -5.236 1.667 1.00 0.00 C ATOM 287 C GLU A 18 -13.021 -6.261 1.365 1.00 0.00 C ATOM 288 O GLU A 18 -12.059 -5.957 0.661 1.00 0.00 O ATOM 289 CB GLU A 18 -15.356 -5.487 0.808 1.00 0.00 C ATOM 290 CG GLU A 18 -16.631 -5.411 1.651 1.00 0.00 C ATOM 291 CD GLU A 18 -17.695 -4.556 0.957 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.023 -4.889 -0.202 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.155 -3.590 1.603 1.00 0.00 O ATOM 0 H GLU A 18 -13.477 -3.620 0.496 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.410 -5.346 2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.402 -4.751 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.285 -6.468 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.020 -6.415 1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.400 -4.989 2.629 1.00 0.00 H new ATOM 300 N PRO A 19 -13.209 -7.486 1.925 1.00 0.00 N ATOM 301 CA PRO A 19 -12.249 -8.558 1.723 1.00 0.00 C ATOM 302 C PRO A 19 -12.373 -9.145 0.315 1.00 0.00 C ATOM 303 O PRO A 19 -11.487 -9.867 -0.140 1.00 0.00 O ATOM 304 CB PRO A 19 -12.551 -9.568 2.817 1.00 0.00 C ATOM 305 CG PRO A 19 -13.957 -9.252 3.300 1.00 0.00 C ATOM 306 CD PRO A 19 -14.337 -7.881 2.764 1.00 0.00 C ATOM 0 HA PRO A 19 -11.216 -8.217 1.790 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.489 -10.587 2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.831 -9.488 3.632 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.660 -10.007 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.997 -9.261 4.389 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.262 -7.923 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.497 -7.169 3.574 1.00 0.00 H new ATOM 314 N SER A 20 -13.478 -8.813 -0.335 1.00 0.00 N ATOM 315 CA SER A 20 -13.729 -9.299 -1.682 1.00 0.00 C ATOM 316 C SER A 20 -13.139 -8.328 -2.707 1.00 0.00 C ATOM 317 O SER A 20 -12.822 -8.721 -3.828 1.00 0.00 O ATOM 318 CB SER A 20 -15.228 -9.485 -1.929 1.00 0.00 C ATOM 319 OG SER A 20 -15.483 -10.207 -3.131 1.00 0.00 O ATOM 0 H SER A 20 -14.210 -8.213 0.045 1.00 0.00 H new ATOM 0 HA SER A 20 -13.246 -10.270 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.672 -10.015 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.711 -8.509 -1.982 1.00 0.00 H new ATOM 0 HG SER A 20 -16.450 -10.307 -3.254 1.00 0.00 H new ATOM 325 N ASP A 21 -13.010 -7.079 -2.285 1.00 0.00 N ATOM 326 CA ASP A 21 -12.463 -6.049 -3.152 1.00 0.00 C ATOM 327 C ASP A 21 -10.992 -6.358 -3.440 1.00 0.00 C ATOM 328 O ASP A 21 -10.272 -6.838 -2.565 1.00 0.00 O ATOM 329 CB ASP A 21 -12.535 -4.673 -2.486 1.00 0.00 C ATOM 330 CG ASP A 21 -13.862 -4.360 -1.792 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.843 -5.071 -2.096 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.864 -3.415 -0.972 1.00 0.00 O ATOM 0 H ASP A 21 -13.275 -6.757 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.049 -6.036 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.732 -4.598 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.348 -3.910 -3.242 1.00 0.00 H new ATOM 337 N THR A 22 -10.590 -6.070 -4.669 1.00 0.00 N ATOM 338 CA THR A 22 -9.218 -6.311 -5.083 1.00 0.00 C ATOM 339 C THR A 22 -8.331 -5.124 -4.707 1.00 0.00 C ATOM 340 O THR A 22 -8.825 -4.097 -4.243 1.00 0.00 O ATOM 341 CB THR A 22 -9.224 -6.615 -6.583 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.677 -5.404 -7.180 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.290 -7.643 -6.968 1.00 0.00 C ATOM 0 H THR A 22 -11.190 -5.672 -5.391 1.00 0.00 H new ATOM 0 HA THR A 22 -8.793 -7.170 -4.564 1.00 0.00 H new ATOM 0 HB THR A 22 -8.242 -6.981 -6.883 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.709 -5.511 -8.154 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.251 -7.822 -8.042 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.104 -8.577 -6.437 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.276 -7.263 -6.699 1.00 0.00 H new ATOM 351 N ILE A 23 -7.036 -5.303 -4.919 1.00 0.00 N ATOM 352 CA ILE A 23 -6.074 -4.259 -4.608 1.00 0.00 C ATOM 353 C ILE A 23 -6.435 -2.993 -5.386 1.00 0.00 C ATOM 354 O ILE A 23 -6.733 -1.959 -4.792 1.00 0.00 O ATOM 355 CB ILE A 23 -4.647 -4.752 -4.860 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.183 -5.684 -3.739 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.690 -3.576 -5.062 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.971 -4.911 -2.436 1.00 0.00 C ATOM 0 H ILE A 23 -6.630 -6.156 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.115 -4.005 -3.549 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.643 -5.333 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.923 -6.469 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.254 -6.175 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.683 -3.953 -5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.013 -2.987 -5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.691 -2.949 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.641 -5.597 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.213 -4.143 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.908 -4.442 -2.135 1.00 0.00 H new ATOM 370 N GLU A 24 -6.393 -3.114 -6.705 1.00 0.00 N ATOM 371 CA GLU A 24 -6.710 -1.992 -7.570 1.00 0.00 C ATOM 372 C GLU A 24 -7.955 -1.262 -7.059 1.00 0.00 C ATOM 373 O GLU A 24 -8.044 -0.039 -7.153 1.00 0.00 O ATOM 374 CB GLU A 24 -6.901 -2.451 -9.018 1.00 0.00 C ATOM 375 CG GLU A 24 -6.423 -1.380 -10.000 1.00 0.00 C ATOM 376 CD GLU A 24 -6.556 -1.865 -11.445 1.00 0.00 C ATOM 377 OE1 GLU A 24 -7.641 -1.637 -12.023 1.00 0.00 O ATOM 378 OE2 GLU A 24 -5.568 -2.451 -11.940 1.00 0.00 O ATOM 0 H GLU A 24 -6.144 -3.973 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.871 -1.297 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.349 -3.376 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.953 -2.671 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.006 -0.469 -9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.383 -1.128 -9.791 1.00 0.00 H new ATOM 385 N ASN A 25 -8.884 -2.045 -6.529 1.00 0.00 N ATOM 386 CA ASN A 25 -10.119 -1.489 -6.003 1.00 0.00 C ATOM 387 C ASN A 25 -9.804 -0.623 -4.781 1.00 0.00 C ATOM 388 O ASN A 25 -10.313 0.490 -4.657 1.00 0.00 O ATOM 389 CB ASN A 25 -11.078 -2.596 -5.562 1.00 0.00 C ATOM 390 CG ASN A 25 -12.531 -2.122 -5.628 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.935 -1.182 -4.964 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.291 -2.824 -6.464 1.00 0.00 N ATOM 0 H ASN A 25 -8.806 -3.059 -6.453 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.586 -0.900 -6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.948 -3.470 -6.200 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.839 -2.905 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.276 -2.586 -6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.889 -3.600 -6.990 1.00 0.00 H new ATOM 399 N VAL A 26 -8.965 -1.167 -3.910 1.00 0.00 N ATOM 400 CA VAL A 26 -8.576 -0.459 -2.703 1.00 0.00 C ATOM 401 C VAL A 26 -7.817 0.814 -3.086 1.00 0.00 C ATOM 402 O VAL A 26 -8.072 1.884 -2.535 1.00 0.00 O ATOM 403 CB VAL A 26 -7.770 -1.384 -1.790 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.510 -0.725 -0.434 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.471 -2.733 -1.620 1.00 0.00 C ATOM 0 H VAL A 26 -8.544 -2.090 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.457 -0.155 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.805 -1.566 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.935 -1.404 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.949 0.198 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.461 -0.499 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.877 -3.372 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.456 -2.578 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.580 -3.211 -2.593 1.00 0.00 H new ATOM 415 N LYS A 27 -6.898 0.655 -4.028 1.00 0.00 N ATOM 416 CA LYS A 27 -6.099 1.778 -4.491 1.00 0.00 C ATOM 417 C LYS A 27 -7.021 2.836 -5.100 1.00 0.00 C ATOM 418 O LYS A 27 -6.839 4.031 -4.866 1.00 0.00 O ATOM 419 CB LYS A 27 -5.002 1.298 -5.442 1.00 0.00 C ATOM 420 CG LYS A 27 -3.723 0.956 -4.674 1.00 0.00 C ATOM 421 CD LYS A 27 -2.553 0.726 -5.633 1.00 0.00 C ATOM 422 CE LYS A 27 -2.742 -0.566 -6.430 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.475 -0.958 -7.089 1.00 0.00 N ATOM 0 H LYS A 27 -6.689 -0.234 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.581 2.248 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.348 0.421 -5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.791 2.072 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.480 1.766 -3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.885 0.063 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.468 1.570 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.621 0.677 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.076 -1.364 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.521 -0.427 -7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.620 -1.837 -7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.172 -0.203 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.741 -1.110 -6.368 1.00 0.00 H new ATOM 437 N ALA A 28 -7.989 2.361 -5.868 1.00 0.00 N ATOM 438 CA ALA A 28 -8.940 3.253 -6.512 1.00 0.00 C ATOM 439 C ALA A 28 -9.672 4.068 -5.444 1.00 0.00 C ATOM 440 O ALA A 28 -9.890 5.266 -5.614 1.00 0.00 O ATOM 441 CB ALA A 28 -9.898 2.435 -7.381 1.00 0.00 C ATOM 0 H ALA A 28 -8.136 1.370 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.425 3.956 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.611 3.103 -7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.331 1.898 -8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.435 1.721 -6.757 1.00 0.00 H new ATOM 447 N LYS A 29 -10.032 3.385 -4.367 1.00 0.00 N ATOM 448 CA LYS A 29 -10.734 4.030 -3.272 1.00 0.00 C ATOM 449 C LYS A 29 -9.828 5.092 -2.646 1.00 0.00 C ATOM 450 O LYS A 29 -10.292 6.170 -2.276 1.00 0.00 O ATOM 451 CB LYS A 29 -11.244 2.989 -2.273 1.00 0.00 C ATOM 452 CG LYS A 29 -12.773 2.966 -2.236 1.00 0.00 C ATOM 453 CD LYS A 29 -13.280 2.337 -0.937 1.00 0.00 C ATOM 454 CE LYS A 29 -14.782 2.575 -0.763 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.024 3.816 0.007 1.00 0.00 N ATOM 0 H LYS A 29 -9.850 2.391 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.622 4.545 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.869 2.003 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.856 3.213 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.158 3.982 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.153 2.404 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.076 1.266 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.740 2.759 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.260 2.647 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.234 1.727 -0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.048 3.963 0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.584 3.733 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.610 4.625 -0.499 1.00 0.00 H new ATOM 469 N ILE A 30 -8.553 4.750 -2.544 1.00 0.00 N ATOM 470 CA ILE A 30 -7.577 5.660 -1.968 1.00 0.00 C ATOM 471 C ILE A 30 -7.487 6.918 -2.833 1.00 0.00 C ATOM 472 O ILE A 30 -7.328 8.022 -2.315 1.00 0.00 O ATOM 473 CB ILE A 30 -6.236 4.952 -1.770 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.374 3.775 -0.803 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.156 5.940 -1.320 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.288 2.728 -1.055 1.00 0.00 C ATOM 0 H ILE A 30 -8.172 3.855 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.892 5.978 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.920 4.544 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.307 4.134 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.357 3.319 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.212 5.411 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.034 6.715 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.452 6.398 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.409 1.902 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.373 2.354 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.306 3.181 -0.916 1.00 0.00 H new ATOM 488 N GLN A 31 -7.592 6.710 -4.137 1.00 0.00 N ATOM 489 CA GLN A 31 -7.525 7.814 -5.080 1.00 0.00 C ATOM 490 C GLN A 31 -8.720 8.750 -4.888 1.00 0.00 C ATOM 491 O GLN A 31 -8.547 9.925 -4.566 1.00 0.00 O ATOM 492 CB GLN A 31 -7.455 7.301 -6.520 1.00 0.00 C ATOM 493 CG GLN A 31 -7.189 8.447 -7.498 1.00 0.00 C ATOM 494 CD GLN A 31 -8.176 8.412 -8.667 1.00 0.00 C ATOM 495 OE1 GLN A 31 -9.369 8.223 -8.500 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.612 8.603 -9.856 1.00 0.00 N ATOM 0 H GLN A 31 -7.723 5.793 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.613 8.378 -4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.666 6.554 -6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.391 6.807 -6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.271 9.401 -6.977 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.169 8.377 -7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.606 8.756 -9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.186 8.597 -10.699 1.00 0.00 H new ATOM 505 N ASP A 32 -9.905 8.194 -5.093 1.00 0.00 N ATOM 506 CA ASP A 32 -11.128 8.965 -4.946 1.00 0.00 C ATOM 507 C ASP A 32 -11.122 9.670 -3.589 1.00 0.00 C ATOM 508 O ASP A 32 -11.720 10.734 -3.436 1.00 0.00 O ATOM 509 CB ASP A 32 -12.360 8.059 -5.002 1.00 0.00 C ATOM 510 CG ASP A 32 -13.490 8.560 -5.903 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.489 9.776 -6.192 1.00 0.00 O ATOM 512 OD2 ASP A 32 -14.332 7.716 -6.280 1.00 0.00 O ATOM 0 H ASP A 32 -10.044 7.219 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.172 9.686 -5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.051 7.072 -5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.749 7.937 -3.991 1.00 0.00 H new ATOM 517 N LYS A 33 -10.439 9.049 -2.638 1.00 0.00 N ATOM 518 CA LYS A 33 -10.346 9.605 -1.299 1.00 0.00 C ATOM 519 C LYS A 33 -9.386 10.796 -1.310 1.00 0.00 C ATOM 520 O LYS A 33 -9.817 11.947 -1.255 1.00 0.00 O ATOM 521 CB LYS A 33 -9.965 8.517 -0.293 1.00 0.00 C ATOM 522 CG LYS A 33 -11.170 8.111 0.560 1.00 0.00 C ATOM 523 CD LYS A 33 -11.089 8.734 1.954 1.00 0.00 C ATOM 524 CE LYS A 33 -11.274 10.251 1.890 1.00 0.00 C ATOM 525 NZ LYS A 33 -11.238 10.837 3.248 1.00 0.00 N ATOM 0 H LYS A 33 -9.945 8.166 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.316 9.981 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.580 7.646 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.164 8.878 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.091 8.427 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.211 7.025 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.854 8.298 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.124 8.501 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.489 10.693 1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.224 10.487 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.365 11.867 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.002 10.428 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.321 10.628 3.692 1.00 0.00 H new ATOM 539 N GLU A 34 -8.101 10.479 -1.382 1.00 0.00 N ATOM 540 CA GLU A 34 -7.076 11.507 -1.402 1.00 0.00 C ATOM 541 C GLU A 34 -6.861 12.016 -2.828 1.00 0.00 C ATOM 542 O GLU A 34 -7.005 13.208 -3.095 1.00 0.00 O ATOM 543 CB GLU A 34 -5.767 10.990 -0.802 1.00 0.00 C ATOM 544 CG GLU A 34 -5.198 11.983 0.213 1.00 0.00 C ATOM 545 CD GLU A 34 -3.983 12.715 -0.360 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.206 13.614 -1.201 1.00 0.00 O ATOM 547 OE2 GLU A 34 -2.859 12.361 0.055 1.00 0.00 O ATOM 0 H GLU A 34 -7.747 9.523 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.415 12.340 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.940 10.029 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.041 10.821 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.965 12.706 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.914 11.455 1.123 1.00 0.00 H new ATOM 554 N GLY A 35 -6.520 11.087 -3.709 1.00 0.00 N ATOM 555 CA GLY A 35 -6.284 11.425 -5.102 1.00 0.00 C ATOM 556 C GLY A 35 -4.883 10.995 -5.541 1.00 0.00 C ATOM 557 O GLY A 35 -4.264 11.646 -6.381 1.00 0.00 O ATOM 0 H GLY A 35 -6.401 10.099 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.031 10.939 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.400 12.500 -5.244 1.00 0.00 H new ATOM 561 N ILE A 36 -4.423 9.900 -4.953 1.00 0.00 N ATOM 562 CA ILE A 36 -3.107 9.375 -5.273 1.00 0.00 C ATOM 563 C ILE A 36 -3.225 8.390 -6.437 1.00 0.00 C ATOM 564 O ILE A 36 -4.195 7.638 -6.523 1.00 0.00 O ATOM 565 CB ILE A 36 -2.451 8.778 -4.027 1.00 0.00 C ATOM 566 CG1 ILE A 36 -2.229 9.849 -2.957 1.00 0.00 C ATOM 567 CG2 ILE A 36 -1.153 8.050 -4.385 1.00 0.00 C ATOM 568 CD1 ILE A 36 -2.491 9.289 -1.558 1.00 0.00 C ATOM 0 H ILE A 36 -4.939 9.362 -4.257 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.446 10.178 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.131 8.037 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.207 10.222 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.889 10.696 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.707 7.635 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.369 7.244 -5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.457 8.752 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.326 10.071 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.521 8.939 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.813 8.458 -1.366 1.00 0.00 H new ATOM 580 N PRO A 37 -2.198 8.426 -7.328 1.00 0.00 N ATOM 581 CA PRO A 37 -2.178 7.545 -8.484 1.00 0.00 C ATOM 582 C PRO A 37 -1.820 6.115 -8.076 1.00 0.00 C ATOM 583 O PRO A 37 -1.011 5.907 -7.174 1.00 0.00 O ATOM 584 CB PRO A 37 -1.164 8.164 -9.432 1.00 0.00 C ATOM 585 CG PRO A 37 -0.319 9.102 -8.585 1.00 0.00 C ATOM 586 CD PRO A 37 -1.033 9.303 -7.258 1.00 0.00 C ATOM 0 HA PRO A 37 -3.152 7.459 -8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.547 7.396 -9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.662 8.706 -10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.674 8.681 -8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.182 10.056 -9.093 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.390 9.041 -6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.328 10.343 -7.121 1.00 0.00 H new ATOM 594 N PRO A 38 -2.457 5.140 -8.780 1.00 0.00 N ATOM 595 CA PRO A 38 -2.214 3.736 -8.501 1.00 0.00 C ATOM 596 C PRO A 38 -0.857 3.293 -9.052 1.00 0.00 C ATOM 597 O PRO A 38 -0.218 2.401 -8.497 1.00 0.00 O ATOM 598 CB PRO A 38 -3.382 3.001 -9.138 1.00 0.00 C ATOM 599 CG PRO A 38 -3.986 3.968 -10.143 1.00 0.00 C ATOM 600 CD PRO A 38 -3.422 5.351 -9.855 1.00 0.00 C ATOM 0 HA PRO A 38 -2.160 3.523 -7.433 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.047 2.087 -9.628 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.116 2.709 -8.387 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.744 3.661 -11.161 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.073 3.974 -10.061 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.945 5.776 -10.738 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.207 6.044 -9.552 1.00 0.00 H new ATOM 608 N ASP A 39 -0.457 3.940 -10.138 1.00 0.00 N ATOM 609 CA ASP A 39 0.813 3.624 -10.770 1.00 0.00 C ATOM 610 C ASP A 39 1.956 4.033 -9.840 1.00 0.00 C ATOM 611 O ASP A 39 3.033 3.438 -9.875 1.00 0.00 O ATOM 612 CB ASP A 39 0.977 4.387 -12.086 1.00 0.00 C ATOM 613 CG ASP A 39 0.775 3.550 -13.350 1.00 0.00 C ATOM 614 OD1 ASP A 39 0.597 2.322 -13.194 1.00 0.00 O ATOM 615 OD2 ASP A 39 0.801 4.155 -14.443 1.00 0.00 O ATOM 0 H ASP A 39 -0.989 4.680 -10.595 1.00 0.00 H new ATOM 0 HA ASP A 39 0.834 2.553 -10.969 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.267 5.214 -12.099 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.976 4.823 -12.113 1.00 0.00 H new ATOM 620 N GLN A 40 1.685 5.045 -9.031 1.00 0.00 N ATOM 621 CA GLN A 40 2.678 5.541 -8.092 1.00 0.00 C ATOM 622 C GLN A 40 2.390 5.011 -6.686 1.00 0.00 C ATOM 623 O GLN A 40 3.073 5.375 -5.730 1.00 0.00 O ATOM 624 CB GLN A 40 2.726 7.070 -8.102 1.00 0.00 C ATOM 625 CG GLN A 40 4.171 7.572 -8.054 1.00 0.00 C ATOM 626 CD GLN A 40 4.354 8.804 -8.943 1.00 0.00 C ATOM 627 OE1 GLN A 40 3.830 9.874 -8.680 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.124 8.594 -10.007 1.00 0.00 N ATOM 0 H GLN A 40 0.791 5.536 -9.005 1.00 0.00 H new ATOM 0 HA GLN A 40 3.657 5.177 -8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.235 7.447 -8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.173 7.461 -7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.440 7.817 -7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.846 6.780 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.532 7.673 -10.168 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.307 9.354 -10.662 1.00 0.00 H new ATOM 637 N GLN A 41 1.378 4.160 -6.604 1.00 0.00 N ATOM 638 CA GLN A 41 0.992 3.577 -5.331 1.00 0.00 C ATOM 639 C GLN A 41 1.695 2.233 -5.127 1.00 0.00 C ATOM 640 O GLN A 41 1.668 1.375 -6.007 1.00 0.00 O ATOM 641 CB GLN A 41 -0.527 3.419 -5.237 1.00 0.00 C ATOM 642 CG GLN A 41 -1.012 3.612 -3.799 1.00 0.00 C ATOM 643 CD GLN A 41 -2.045 4.736 -3.713 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.019 5.572 -2.825 1.00 0.00 O ATOM 645 NE2 GLN A 41 -2.954 4.711 -4.684 1.00 0.00 N ATOM 0 H GLN A 41 0.814 3.860 -7.399 1.00 0.00 H new ATOM 0 HA GLN A 41 1.304 4.254 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.012 4.146 -5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.816 2.430 -5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.449 2.683 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.164 3.843 -3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.918 3.983 -5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.686 5.420 -4.715 1.00 0.00 H new ATOM 654 N ARG A 42 2.309 2.094 -3.961 1.00 0.00 N ATOM 655 CA ARG A 42 3.018 0.869 -3.630 1.00 0.00 C ATOM 656 C ARG A 42 2.657 0.413 -2.216 1.00 0.00 C ATOM 657 O ARG A 42 3.192 0.929 -1.236 1.00 0.00 O ATOM 658 CB ARG A 42 4.533 1.068 -3.724 1.00 0.00 C ATOM 659 CG ARG A 42 5.129 0.215 -4.844 1.00 0.00 C ATOM 660 CD ARG A 42 6.622 -0.028 -4.613 1.00 0.00 C ATOM 661 NE ARG A 42 7.376 0.229 -5.860 1.00 0.00 N ATOM 662 CZ ARG A 42 7.172 -0.428 -7.010 1.00 0.00 C ATOM 663 NH1 ARG A 42 6.236 -1.386 -7.077 1.00 0.00 N ATOM 664 NH2 ARG A 42 7.903 -0.129 -8.092 1.00 0.00 N ATOM 0 H ARG A 42 2.330 2.809 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 42 2.718 0.107 -4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.755 2.120 -3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.998 0.804 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.605 -0.740 -4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.982 0.713 -5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.986 0.623 -3.818 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.785 -1.055 -4.285 1.00 0.00 H new ATOM 0 HE ARG A 42 8.096 0.951 -5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.680 -1.614 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.080 -1.886 -7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.615 0.599 -8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.747 -0.630 -8.967 1.00 0.00 H new ATOM 678 N LEU A 43 1.752 -0.554 -2.154 1.00 0.00 N ATOM 679 CA LEU A 43 1.313 -1.087 -0.876 1.00 0.00 C ATOM 680 C LEU A 43 2.080 -2.375 -0.575 1.00 0.00 C ATOM 681 O LEU A 43 1.948 -3.363 -1.296 1.00 0.00 O ATOM 682 CB LEU A 43 -0.207 -1.257 -0.859 1.00 0.00 C ATOM 683 CG LEU A 43 -1.002 -0.275 -1.723 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.493 -0.622 -1.717 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.748 1.169 -1.285 1.00 0.00 C ATOM 0 H LEU A 43 1.311 -0.982 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 43 1.540 -0.386 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.443 -2.270 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.551 -1.165 0.171 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.654 -0.366 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.035 0.091 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.634 -1.628 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.873 -0.576 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.324 1.847 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.052 1.293 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.313 1.397 -1.383 1.00 0.00 H new ATOM 697 N ILE A 44 2.865 -2.325 0.492 1.00 0.00 N ATOM 698 CA ILE A 44 3.652 -3.476 0.897 1.00 0.00 C ATOM 699 C ILE A 44 2.976 -4.159 2.087 1.00 0.00 C ATOM 700 O ILE A 44 2.449 -3.489 2.973 1.00 0.00 O ATOM 701 CB ILE A 44 5.101 -3.066 1.165 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.769 -2.544 -0.109 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.890 -4.217 1.794 1.00 0.00 C ATOM 704 CD1 ILE A 44 7.037 -1.754 0.221 1.00 0.00 C ATOM 0 H ILE A 44 2.972 -1.504 1.088 1.00 0.00 H new ATOM 0 HA ILE A 44 3.696 -4.209 0.092 1.00 0.00 H new ATOM 0 HB ILE A 44 5.095 -2.247 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.017 -3.380 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.072 -1.908 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.917 -3.899 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.427 -4.502 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.889 -5.072 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.492 -1.394 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.782 -0.905 0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.742 -2.399 0.746 1.00 0.00 H new ATOM 716 N PHE A 45 3.012 -5.483 2.068 1.00 0.00 N ATOM 717 CA PHE A 45 2.409 -6.263 3.135 1.00 0.00 C ATOM 718 C PHE A 45 3.086 -7.630 3.265 1.00 0.00 C ATOM 719 O PHE A 45 3.157 -8.386 2.297 1.00 0.00 O ATOM 720 CB PHE A 45 0.940 -6.469 2.763 1.00 0.00 C ATOM 721 CG PHE A 45 0.032 -6.773 3.957 1.00 0.00 C ATOM 722 CD1 PHE A 45 -0.135 -5.845 4.937 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.606 -7.972 4.038 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.978 -6.128 6.044 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.448 -8.255 5.146 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.616 -7.327 6.126 1.00 0.00 C ATOM 0 H PHE A 45 3.449 -6.035 1.330 1.00 0.00 H new ATOM 0 HA PHE A 45 2.519 -5.741 4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.574 -5.574 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.868 -7.288 2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.373 -4.894 4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.472 -8.709 3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.113 -5.391 6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.955 -9.207 5.210 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.256 -7.542 6.969 1.00 0.00 H new ATOM 736 N ALA A 46 3.566 -7.905 4.469 1.00 0.00 N ATOM 737 CA ALA A 46 4.234 -9.167 4.738 1.00 0.00 C ATOM 738 C ALA A 46 5.526 -9.239 3.921 1.00 0.00 C ATOM 739 O ALA A 46 6.039 -10.326 3.660 1.00 0.00 O ATOM 740 CB ALA A 46 3.284 -10.325 4.429 1.00 0.00 C ATOM 0 H ALA A 46 3.506 -7.275 5.269 1.00 0.00 H new ATOM 0 HA ALA A 46 4.505 -9.241 5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.786 -11.271 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.396 -10.244 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.992 -10.286 3.380 1.00 0.00 H new ATOM 746 N GLY A 47 6.013 -8.067 3.539 1.00 0.00 N ATOM 747 CA GLY A 47 7.235 -7.984 2.757 1.00 0.00 C ATOM 748 C GLY A 47 6.938 -8.107 1.261 1.00 0.00 C ATOM 749 O GLY A 47 7.778 -7.772 0.428 1.00 0.00 O ATOM 0 H GLY A 47 5.584 -7.168 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.734 -7.036 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.920 -8.775 3.062 1.00 0.00 H new ATOM 753 N LYS A 48 5.740 -8.588 0.966 1.00 0.00 N ATOM 754 CA LYS A 48 5.321 -8.761 -0.415 1.00 0.00 C ATOM 755 C LYS A 48 4.384 -7.615 -0.805 1.00 0.00 C ATOM 756 O LYS A 48 3.464 -7.281 -0.061 1.00 0.00 O ATOM 757 CB LYS A 48 4.714 -10.149 -0.622 1.00 0.00 C ATOM 758 CG LYS A 48 4.679 -10.516 -2.106 1.00 0.00 C ATOM 759 CD LYS A 48 5.268 -11.908 -2.342 1.00 0.00 C ATOM 760 CE LYS A 48 4.589 -12.598 -3.526 1.00 0.00 C ATOM 761 NZ LYS A 48 4.547 -14.063 -3.319 1.00 0.00 N ATOM 0 H LYS A 48 5.045 -8.864 1.660 1.00 0.00 H new ATOM 0 HA LYS A 48 6.181 -8.713 -1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.296 -10.890 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.704 -10.172 -0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.651 -10.486 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.240 -9.778 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.339 -11.827 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.147 -12.515 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.576 -12.213 -3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.129 -12.370 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.083 -14.515 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.516 -14.428 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.012 -14.276 -2.453 1.00 0.00 H new ATOM 775 N GLN A 49 4.651 -7.046 -1.972 1.00 0.00 N ATOM 776 CA GLN A 49 3.844 -5.946 -2.470 1.00 0.00 C ATOM 777 C GLN A 49 2.552 -6.476 -3.094 1.00 0.00 C ATOM 778 O GLN A 49 2.572 -7.465 -3.826 1.00 0.00 O ATOM 779 CB GLN A 49 4.631 -5.099 -3.472 1.00 0.00 C ATOM 780 CG GLN A 49 5.110 -5.948 -4.651 1.00 0.00 C ATOM 781 CD GLN A 49 5.246 -5.101 -5.918 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.733 -3.998 -6.016 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.965 -5.676 -6.878 1.00 0.00 N ATOM 0 H GLN A 49 5.415 -7.327 -2.587 1.00 0.00 H new ATOM 0 HA GLN A 49 3.581 -5.304 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.005 -4.285 -3.836 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.488 -4.644 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.070 -6.404 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.407 -6.762 -4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.366 -6.602 -6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.115 -5.191 -7.763 1.00 0.00 H new ATOM 792 N LEU A 50 1.459 -5.794 -2.784 1.00 0.00 N ATOM 793 CA LEU A 50 0.160 -6.185 -3.306 1.00 0.00 C ATOM 794 C LEU A 50 0.025 -5.689 -4.747 1.00 0.00 C ATOM 795 O LEU A 50 -0.089 -4.488 -4.986 1.00 0.00 O ATOM 796 CB LEU A 50 -0.957 -5.699 -2.381 1.00 0.00 C ATOM 797 CG LEU A 50 -0.686 -5.820 -0.880 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.557 -4.846 -0.085 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.861 -7.264 -0.406 1.00 0.00 C ATOM 0 H LEU A 50 1.446 -4.973 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 50 0.070 -7.271 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.162 -4.653 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.863 -6.259 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 50 0.353 -5.545 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.344 -4.953 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.339 -3.825 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.609 -5.065 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.663 -7.322 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.882 -7.591 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.163 -7.909 -0.940 1.00 0.00 H new ATOM 811 N GLU A 51 0.041 -6.640 -5.670 1.00 0.00 N ATOM 812 CA GLU A 51 -0.078 -6.314 -7.081 1.00 0.00 C ATOM 813 C GLU A 51 -1.550 -6.296 -7.499 1.00 0.00 C ATOM 814 O GLU A 51 -2.309 -7.198 -7.149 1.00 0.00 O ATOM 815 CB GLU A 51 0.723 -7.295 -7.940 1.00 0.00 C ATOM 816 CG GLU A 51 0.942 -6.738 -9.348 1.00 0.00 C ATOM 817 CD GLU A 51 2.033 -7.519 -10.082 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.731 -8.656 -10.505 1.00 0.00 O ATOM 819 OE2 GLU A 51 3.146 -6.962 -10.204 1.00 0.00 O ATOM 0 H GLU A 51 0.134 -7.635 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 51 0.338 -5.319 -7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.686 -7.493 -7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.195 -8.247 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.011 -6.789 -9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.221 -5.686 -9.288 1.00 0.00 H new ATOM 826 N ASP A 52 -1.909 -5.258 -8.240 1.00 0.00 N ATOM 827 CA ASP A 52 -3.277 -5.110 -8.709 1.00 0.00 C ATOM 828 C ASP A 52 -3.747 -6.432 -9.320 1.00 0.00 C ATOM 829 O ASP A 52 -3.272 -6.832 -10.382 1.00 0.00 O ATOM 830 CB ASP A 52 -3.376 -4.028 -9.785 1.00 0.00 C ATOM 831 CG ASP A 52 -2.322 -4.118 -10.892 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.127 -4.194 -10.532 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.735 -4.110 -12.072 1.00 0.00 O ATOM 0 H ASP A 52 -1.277 -4.511 -8.527 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.898 -4.829 -7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.365 -4.079 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.296 -3.052 -9.306 1.00 0.00 H new ATOM 838 N GLY A 53 -4.675 -7.072 -8.625 1.00 0.00 N ATOM 839 CA GLY A 53 -5.215 -8.339 -9.086 1.00 0.00 C ATOM 840 C GLY A 53 -5.432 -9.301 -7.916 1.00 0.00 C ATOM 841 O GLY A 53 -6.171 -10.276 -8.039 1.00 0.00 O ATOM 0 H GLY A 53 -5.067 -6.736 -7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.160 -8.169 -9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.533 -8.788 -9.809 1.00 0.00 H new ATOM 845 N ARG A 54 -4.774 -8.993 -6.808 1.00 0.00 N ATOM 846 CA ARG A 54 -4.887 -9.818 -5.617 1.00 0.00 C ATOM 847 C ARG A 54 -5.930 -9.232 -4.662 1.00 0.00 C ATOM 848 O ARG A 54 -6.110 -8.017 -4.604 1.00 0.00 O ATOM 849 CB ARG A 54 -3.544 -9.924 -4.892 1.00 0.00 C ATOM 850 CG ARG A 54 -2.631 -10.945 -5.574 1.00 0.00 C ATOM 851 CD ARG A 54 -2.924 -12.361 -5.075 1.00 0.00 C ATOM 852 NE ARG A 54 -1.655 -13.074 -4.804 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.532 -14.408 -4.788 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.599 -15.183 -5.027 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.341 -14.968 -4.534 1.00 0.00 N ATOM 0 H ARG A 54 -4.161 -8.184 -6.710 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.197 -10.814 -5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.057 -8.949 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.709 -10.214 -3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.772 -10.900 -6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.589 -10.695 -5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.528 -12.319 -4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.505 -12.905 -5.820 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.823 -12.515 -4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.505 -14.757 -5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.505 -16.199 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.471 -14.379 -4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.247 -15.984 -4.522 1.00 0.00 H new ATOM 869 N THR A 55 -6.588 -10.124 -3.937 1.00 0.00 N ATOM 870 CA THR A 55 -7.608 -9.712 -2.988 1.00 0.00 C ATOM 871 C THR A 55 -7.028 -9.656 -1.573 1.00 0.00 C ATOM 872 O THR A 55 -6.087 -10.381 -1.255 1.00 0.00 O ATOM 873 CB THR A 55 -8.793 -10.669 -3.121 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.189 -11.947 -3.303 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.585 -10.445 -4.411 1.00 0.00 C ATOM 0 H THR A 55 -6.435 -11.131 -3.988 1.00 0.00 H new ATOM 0 HA THR A 55 -7.962 -8.703 -3.201 1.00 0.00 H new ATOM 0 HB THR A 55 -9.454 -10.548 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.887 -12.628 -3.396 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.415 -11.150 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.973 -9.427 -4.428 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.932 -10.598 -5.270 1.00 0.00 H new ATOM 883 N LEU A 56 -7.613 -8.787 -0.763 1.00 0.00 N ATOM 884 CA LEU A 56 -7.166 -8.627 0.611 1.00 0.00 C ATOM 885 C LEU A 56 -7.359 -9.945 1.362 1.00 0.00 C ATOM 886 O LEU A 56 -6.500 -10.349 2.145 1.00 0.00 O ATOM 887 CB LEU A 56 -7.869 -7.436 1.267 1.00 0.00 C ATOM 888 CG LEU A 56 -7.628 -6.073 0.616 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.824 -5.143 0.832 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.321 -5.451 1.112 1.00 0.00 C ATOM 0 H LEU A 56 -8.392 -8.186 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.101 -8.396 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.942 -7.630 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.551 -7.380 2.308 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.526 -6.222 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.627 -4.181 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.716 -5.588 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.983 -4.997 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.174 -4.483 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.369 -5.318 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.488 -6.109 0.864 1.00 0.00 H new ATOM 902 N SER A 57 -8.493 -10.579 1.100 1.00 0.00 N ATOM 903 CA SER A 57 -8.810 -11.843 1.741 1.00 0.00 C ATOM 904 C SER A 57 -7.775 -12.902 1.352 1.00 0.00 C ATOM 905 O SER A 57 -7.406 -13.745 2.168 1.00 0.00 O ATOM 906 CB SER A 57 -10.216 -12.314 1.366 1.00 0.00 C ATOM 907 OG SER A 57 -10.643 -13.413 2.169 1.00 0.00 O ATOM 0 H SER A 57 -9.204 -10.240 0.452 1.00 0.00 H new ATOM 0 HA SER A 57 -8.781 -11.695 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.918 -11.488 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.233 -12.604 0.315 1.00 0.00 H new ATOM 0 HG SER A 57 -11.546 -13.683 1.900 1.00 0.00 H new ATOM 913 N ASP A 58 -7.335 -12.823 0.104 1.00 0.00 N ATOM 914 CA ASP A 58 -6.351 -13.763 -0.403 1.00 0.00 C ATOM 915 C ASP A 58 -5.071 -13.652 0.427 1.00 0.00 C ATOM 916 O ASP A 58 -4.256 -14.574 0.446 1.00 0.00 O ATOM 917 CB ASP A 58 -5.997 -13.457 -1.861 1.00 0.00 C ATOM 918 CG ASP A 58 -6.490 -14.491 -2.875 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.694 -14.818 -2.813 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.650 -14.928 -3.692 1.00 0.00 O ATOM 0 H ASP A 58 -7.642 -12.122 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.776 -14.765 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.413 -12.485 -2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.914 -13.374 -1.947 1.00 0.00 H new ATOM 925 N TYR A 59 -4.932 -12.516 1.094 1.00 0.00 N ATOM 926 CA TYR A 59 -3.765 -12.272 1.925 1.00 0.00 C ATOM 927 C TYR A 59 -4.088 -12.498 3.403 1.00 0.00 C ATOM 928 O TYR A 59 -3.200 -12.434 4.253 1.00 0.00 O ATOM 929 CB TYR A 59 -3.397 -10.802 1.714 1.00 0.00 C ATOM 930 CG TYR A 59 -2.858 -10.490 0.317 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.792 -11.209 -0.188 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.437 -9.492 -0.439 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.284 -10.915 -1.503 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.928 -9.198 -1.755 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.878 -9.925 -2.222 1.00 0.00 C ATOM 936 OH TYR A 59 -1.398 -9.647 -3.464 1.00 0.00 O ATOM 0 H TYR A 59 -5.609 -11.753 1.076 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.954 -12.949 1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.278 -10.187 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.649 -10.516 2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.340 -11.991 0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.272 -8.931 -0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.450 -11.468 -1.909 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.371 -8.418 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.516 -10.060 -3.574 1.00 0.00 H new ATOM 946 N ASN A 60 -5.360 -12.757 3.666 1.00 0.00 N ATOM 947 CA ASN A 60 -5.811 -12.992 5.027 1.00 0.00 C ATOM 948 C ASN A 60 -5.406 -11.807 5.906 1.00 0.00 C ATOM 949 O ASN A 60 -4.687 -11.976 6.889 1.00 0.00 O ATOM 950 CB ASN A 60 -5.170 -14.253 5.609 1.00 0.00 C ATOM 951 CG ASN A 60 -5.809 -14.625 6.949 1.00 0.00 C ATOM 952 OD1 ASN A 60 -7.006 -14.499 7.152 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.946 -15.087 7.849 1.00 0.00 N ATOM 0 H ASN A 60 -6.093 -12.809 2.959 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.894 -13.114 5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.282 -15.079 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.100 -14.092 5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.273 -15.361 8.775 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.957 -15.167 7.613 1.00 0.00 H new ATOM 960 N ILE A 61 -5.885 -10.634 5.519 1.00 0.00 N ATOM 961 CA ILE A 61 -5.582 -9.420 6.259 1.00 0.00 C ATOM 962 C ILE A 61 -6.474 -9.349 7.500 1.00 0.00 C ATOM 963 O ILE A 61 -7.637 -9.747 7.456 1.00 0.00 O ATOM 964 CB ILE A 61 -5.694 -8.195 5.349 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.384 -7.946 4.600 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.146 -6.966 6.140 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.649 -7.369 3.208 1.00 0.00 C ATOM 0 H ILE A 61 -6.481 -10.498 4.702 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.550 -9.434 6.608 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.459 -8.395 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.760 -7.258 5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.829 -8.880 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.218 -6.109 5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.121 -7.160 6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.422 -6.753 6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.701 -7.201 2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.252 -8.071 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.183 -6.423 3.302 1.00 0.00 H new ATOM 979 N GLN A 62 -5.894 -8.839 8.577 1.00 0.00 N ATOM 980 CA GLN A 62 -6.623 -8.711 9.829 1.00 0.00 C ATOM 981 C GLN A 62 -7.207 -7.303 9.960 1.00 0.00 C ATOM 982 O GLN A 62 -6.711 -6.361 9.343 1.00 0.00 O ATOM 983 CB GLN A 62 -5.726 -9.047 11.022 1.00 0.00 C ATOM 984 CG GLN A 62 -4.934 -10.331 10.768 1.00 0.00 C ATOM 985 CD GLN A 62 -5.640 -11.541 11.385 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.651 -12.018 10.894 1.00 0.00 O ATOM 987 NE2 GLN A 62 -5.055 -12.008 12.483 1.00 0.00 N ATOM 0 H GLN A 62 -4.929 -8.510 8.609 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.446 -9.426 9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.038 -8.222 11.208 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.335 -9.163 11.918 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.815 -10.483 9.695 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.933 -10.235 11.190 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.210 -11.561 12.840 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.450 -12.813 12.968 1.00 0.00 H new ATOM 996 N LYS A 63 -8.252 -7.204 10.768 1.00 0.00 N ATOM 997 CA LYS A 63 -8.908 -5.926 10.990 1.00 0.00 C ATOM 998 C LYS A 63 -7.861 -4.879 11.370 1.00 0.00 C ATOM 999 O LYS A 63 -7.023 -5.120 12.238 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.034 -6.073 12.016 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.543 -6.810 13.265 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.365 -8.075 13.513 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.513 -9.163 14.168 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.172 -10.217 13.186 1.00 0.00 N ATOM 0 H LYS A 63 -8.661 -7.988 11.277 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.387 -5.579 10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.409 -5.088 12.294 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.867 -6.617 11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.492 -7.072 13.147 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.612 -6.152 14.131 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.216 -7.840 14.152 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.767 -8.442 12.569 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.600 -8.725 14.571 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.054 -9.601 15.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.593 -10.948 13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.046 -10.647 12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.637 -9.798 12.399 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.942 -3.737 10.703 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.012 -2.651 10.960 1.00 0.00 C ATOM 1020 C GLU A 64 -5.570 -3.142 10.815 1.00 0.00 C ATOM 1021 O GLU A 64 -4.769 -3.010 11.739 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.247 -2.045 12.345 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.730 -1.741 12.566 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.287 -2.549 13.740 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.573 -2.627 14.764 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.412 -3.071 13.587 1.00 0.00 O ATOM 0 H GLU A 64 -8.638 -3.540 9.984 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.185 -1.868 10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.895 -2.735 13.112 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.665 -1.129 12.449 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.862 -0.676 12.758 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.291 -1.974 11.661 1.00 0.00 H new ATOM 1033 N SER A 65 -5.283 -3.699 9.647 1.00 0.00 N ATOM 1034 CA SER A 65 -3.952 -4.209 9.368 1.00 0.00 C ATOM 1035 C SER A 65 -2.990 -3.049 9.106 1.00 0.00 C ATOM 1036 O SER A 65 -3.418 -1.950 8.758 1.00 0.00 O ATOM 1037 CB SER A 65 -3.968 -5.167 8.174 1.00 0.00 C ATOM 1038 OG SER A 65 -4.697 -4.633 7.072 1.00 0.00 O ATOM 0 H SER A 65 -5.950 -3.808 8.883 1.00 0.00 H new ATOM 0 HA SER A 65 -3.609 -4.765 10.241 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.944 -5.377 7.864 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.411 -6.116 8.476 1.00 0.00 H new ATOM 0 HG SER A 65 -4.867 -3.680 7.224 1.00 0.00 H new ATOM 1044 N THR A 66 -1.708 -3.334 9.282 1.00 0.00 N ATOM 1045 CA THR A 66 -0.682 -2.327 9.068 1.00 0.00 C ATOM 1046 C THR A 66 -0.081 -2.466 7.668 1.00 0.00 C ATOM 1047 O THR A 66 0.723 -3.363 7.420 1.00 0.00 O ATOM 1048 CB THR A 66 0.352 -2.461 10.188 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.253 -1.806 11.299 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.617 -1.644 9.918 1.00 0.00 C ATOM 0 H THR A 66 -1.356 -4.247 9.570 1.00 0.00 H new ATOM 0 HA THR A 66 -1.101 -1.321 9.109 1.00 0.00 H new ATOM 0 HB THR A 66 0.618 -3.511 10.313 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.349 -1.847 12.071 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.317 -1.774 10.743 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.080 -1.985 8.992 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.356 -0.590 9.827 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.496 -1.565 6.789 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.010 -1.577 5.420 1.00 0.00 C ATOM 1060 C LEU A 67 0.920 -0.381 5.204 1.00 0.00 C ATOM 1061 O LEU A 67 0.754 0.661 5.836 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.181 -1.631 4.436 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.964 -2.944 4.398 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.113 -2.927 5.409 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.452 -3.250 2.981 1.00 0.00 C ATOM 0 H LEU A 67 -1.163 -0.822 6.999 1.00 0.00 H new ATOM 0 HA LEU A 67 0.576 -2.476 5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.873 -0.825 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.799 -1.430 3.435 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.292 -3.751 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.654 -3.872 5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.712 -2.788 6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.793 -2.108 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.006 -4.189 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.102 -2.445 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.596 -3.334 2.312 1.00 0.00 H new ATOM 1077 N HIS A 68 1.878 -0.571 4.309 1.00 0.00 N ATOM 1078 CA HIS A 68 2.834 0.479 4.002 1.00 0.00 C ATOM 1079 C HIS A 68 2.529 1.064 2.622 1.00 0.00 C ATOM 1080 O HIS A 68 2.720 0.398 1.605 1.00 0.00 O ATOM 1081 CB HIS A 68 4.268 -0.041 4.122 1.00 0.00 C ATOM 1082 CG HIS A 68 5.040 0.547 5.280 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.371 0.913 5.185 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.653 0.827 6.557 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.758 1.390 6.358 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.692 1.336 7.208 1.00 0.00 N ATOM 0 H HIS A 68 2.013 -1.437 3.787 1.00 0.00 H new ATOM 0 HA HIS A 68 2.739 1.286 4.729 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.243 -1.125 4.229 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.801 0.176 3.196 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.668 0.663 6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.744 1.757 6.600 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.693 1.637 8.183 1.00 0.00 H new ATOM 1094 N LEU A 69 2.060 2.302 2.631 1.00 0.00 N ATOM 1095 CA LEU A 69 1.725 2.985 1.392 1.00 0.00 C ATOM 1096 C LEU A 69 2.876 3.915 1.000 1.00 0.00 C ATOM 1097 O LEU A 69 2.962 5.041 1.490 1.00 0.00 O ATOM 1098 CB LEU A 69 0.376 3.695 1.518 1.00 0.00 C ATOM 1099 CG LEU A 69 0.164 4.899 0.597 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.259 4.489 -0.873 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.159 5.602 0.912 1.00 0.00 C ATOM 0 H LEU A 69 1.904 2.851 3.476 1.00 0.00 H new ATOM 0 HA LEU A 69 1.605 2.266 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.414 2.970 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.257 4.026 2.550 1.00 0.00 H new ATOM 0 HG LEU A 69 0.963 5.616 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.105 5.363 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.245 4.068 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.505 3.743 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.286 6.454 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.984 4.904 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.150 5.949 1.945 1.00 0.00 H new ATOM 1113 N VAL A 70 3.731 3.411 0.123 1.00 0.00 N ATOM 1114 CA VAL A 70 4.872 4.182 -0.339 1.00 0.00 C ATOM 1115 C VAL A 70 4.707 4.487 -1.830 1.00 0.00 C ATOM 1116 O VAL A 70 3.884 3.870 -2.505 1.00 0.00 O ATOM 1117 CB VAL A 70 6.171 3.438 -0.021 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.712 2.726 -1.263 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.216 4.387 0.567 1.00 0.00 C ATOM 0 H VAL A 70 3.656 2.477 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 70 4.924 5.137 0.184 1.00 0.00 H new ATOM 0 HB VAL A 70 5.949 2.680 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.635 2.205 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.975 2.006 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.911 3.459 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.129 3.833 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.433 5.178 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.831 4.827 1.487 1.00 0.00 H new