USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 522 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 31 GLN : amide:sc= -10.5! C(o=-16!,f=-21!) USER MOD Set 1.2: A 41 GLN : amide:sc= -5.14! C(o=-16!,f=-20!) USER MOD Single : A 1 MET CE :methyl 135:sc= -0.317 (180deg=-0.639) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.183 (180deg=-0.891) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -109:sc= 0.36 USER MOD Single : A 9 THR OG1 : rot 6:sc= 0.753! 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 -77:sc= 0.0814 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 25 ASN : amide:sc=-0.00763 X(o=-0.0076,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.02) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.17! K(o=-2.2!,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0874) USER MOD Single : A 49 GLN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 55 THR OG1 : rot 136:sc= -2.09 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= -1.42 USER MOD Single : A 60 ASN : amide:sc= -2.21! C(o=-2.2!,f=-1.8!) USER MOD Single : A 62 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= -0.17! USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.53 USER MOD Single : A 68 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.984 -9.021 9.665 1.00 0.00 N ATOM 2 CA MET A 1 0.306 -8.413 9.387 1.00 0.00 C ATOM 3 C MET A 1 0.208 -6.887 9.403 1.00 0.00 C ATOM 4 O MET A 1 -0.837 -6.326 9.076 1.00 0.00 O ATOM 5 CB MET A 1 0.807 -8.880 8.019 1.00 0.00 C ATOM 6 CG MET A 1 -0.319 -8.847 6.983 1.00 0.00 C ATOM 7 SD MET A 1 0.272 -9.473 5.420 1.00 0.00 S ATOM 8 CE MET A 1 0.815 -7.952 4.661 1.00 0.00 C ATOM 0 H1 MET A 1 -0.974 -10.014 9.356 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.175 -8.978 10.686 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.728 -8.507 9.152 1.00 0.00 H new ATOM 0 HA MET A 1 1.006 -8.721 10.164 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.627 -8.242 7.691 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.203 -9.892 8.099 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.161 -9.446 7.329 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.683 -7.827 6.861 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.792 -8.103 4.202 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.098 -7.650 3.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.887 -7.172 5.419 1.00 0.00 H new ATOM 16 N GLN A 2 1.310 -6.258 9.784 1.00 0.00 N ATOM 17 CA GLN A 2 1.361 -4.807 9.846 1.00 0.00 C ATOM 18 C GLN A 2 2.331 -4.265 8.795 1.00 0.00 C ATOM 19 O GLN A 2 3.389 -4.848 8.561 1.00 0.00 O ATOM 20 CB GLN A 2 1.748 -4.332 11.247 1.00 0.00 C ATOM 21 CG GLN A 2 0.855 -4.972 12.311 1.00 0.00 C ATOM 22 CD GLN A 2 1.471 -4.828 13.705 1.00 0.00 C ATOM 23 OE1 GLN A 2 1.849 -5.793 14.348 1.00 0.00 O ATOM 24 NE2 GLN A 2 1.548 -3.571 14.133 1.00 0.00 N ATOM 0 H GLN A 2 2.175 -6.727 10.053 1.00 0.00 H new ATOM 0 HA GLN A 2 0.366 -4.418 9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.790 -4.582 11.444 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.665 -3.247 11.302 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.129 -4.503 12.294 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.709 -6.028 12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.212 -2.810 13.543 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.943 -3.368 15.051 1.00 0.00 H new ATOM 31 N ILE A 3 1.936 -3.155 8.189 1.00 0.00 N ATOM 32 CA ILE A 3 2.759 -2.527 7.168 1.00 0.00 C ATOM 33 C ILE A 3 2.823 -1.020 7.426 1.00 0.00 C ATOM 34 O ILE A 3 2.229 -0.525 8.382 1.00 0.00 O ATOM 35 CB ILE A 3 2.249 -2.891 5.772 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.758 -2.577 5.633 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.562 -4.351 5.437 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.500 -1.655 4.441 1.00 0.00 C ATOM 0 H ILE A 3 1.058 -2.674 8.385 1.00 0.00 H new ATOM 0 HA ILE A 3 3.781 -2.902 7.217 1.00 0.00 H new ATOM 0 HB ILE A 3 2.776 -2.274 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.198 -3.504 5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.395 -2.106 6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.189 -4.584 4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.640 -4.508 5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.080 -5.003 6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.568 -1.448 4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.042 -0.720 4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.841 -2.139 3.526 1.00 0.00 H new ATOM 49 N PHE A 4 3.550 -0.334 6.557 1.00 0.00 N ATOM 50 CA PHE A 4 3.701 1.106 6.679 1.00 0.00 C ATOM 51 C PHE A 4 3.669 1.779 5.305 1.00 0.00 C ATOM 52 O PHE A 4 3.407 1.127 4.296 1.00 0.00 O ATOM 53 CB PHE A 4 5.062 1.361 7.327 1.00 0.00 C ATOM 54 CG PHE A 4 5.317 0.528 8.586 1.00 0.00 C ATOM 55 CD1 PHE A 4 4.744 0.887 9.767 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.118 -0.569 8.525 1.00 0.00 C ATOM 57 CE1 PHE A 4 4.981 0.115 10.934 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.355 -1.341 9.692 1.00 0.00 C ATOM 59 CZ PHE A 4 5.782 -0.984 10.872 1.00 0.00 C ATOM 0 H PHE A 4 4.041 -0.749 5.765 1.00 0.00 H new ATOM 0 HA PHE A 4 2.885 1.516 7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.845 1.150 6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.140 2.418 7.581 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.109 1.759 9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.574 -0.853 7.588 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.526 0.399 11.871 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.991 -2.213 9.643 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.962 -1.572 11.760 1.00 0.00 H new ATOM 68 N VAL A 5 3.941 3.075 5.311 1.00 0.00 N ATOM 69 CA VAL A 5 3.947 3.844 4.078 1.00 0.00 C ATOM 70 C VAL A 5 4.726 5.144 4.295 1.00 0.00 C ATOM 71 O VAL A 5 4.713 5.703 5.391 1.00 0.00 O ATOM 72 CB VAL A 5 2.512 4.080 3.600 1.00 0.00 C ATOM 73 CG1 VAL A 5 1.646 4.645 4.727 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.485 4.995 2.375 1.00 0.00 C ATOM 0 H VAL A 5 4.159 3.612 6.150 1.00 0.00 H new ATOM 0 HA VAL A 5 4.452 3.290 3.286 1.00 0.00 H new ATOM 0 HB VAL A 5 2.094 3.117 3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.631 4.804 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.626 3.941 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.062 5.594 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.454 5.146 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.931 5.957 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.051 4.535 1.565 1.00 0.00 H new ATOM 84 N LYS A 6 5.383 5.587 3.234 1.00 0.00 N ATOM 85 CA LYS A 6 6.165 6.809 3.295 1.00 0.00 C ATOM 86 C LYS A 6 5.500 7.880 2.428 1.00 0.00 C ATOM 87 O LYS A 6 5.306 7.681 1.230 1.00 0.00 O ATOM 88 CB LYS A 6 7.622 6.533 2.920 1.00 0.00 C ATOM 89 CG LYS A 6 8.564 6.905 4.067 1.00 0.00 C ATOM 90 CD LYS A 6 9.857 7.527 3.536 1.00 0.00 C ATOM 91 CE LYS A 6 11.085 6.845 4.143 1.00 0.00 C ATOM 92 NZ LYS A 6 12.279 7.083 3.303 1.00 0.00 N ATOM 0 H LYS A 6 5.390 5.121 2.327 1.00 0.00 H new ATOM 0 HA LYS A 6 6.190 7.194 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.744 5.479 2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.886 7.102 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.067 7.607 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.798 6.016 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.888 7.439 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.875 8.591 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.259 7.226 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.905 5.774 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.103 6.613 3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.116 6.698 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.459 8.105 3.237 1.00 0.00 H new ATOM 102 N THR A 7 5.167 8.991 3.067 1.00 0.00 N ATOM 103 CA THR A 7 4.527 10.093 2.369 1.00 0.00 C ATOM 104 C THR A 7 5.561 11.153 1.984 1.00 0.00 C ATOM 105 O THR A 7 6.670 11.168 2.518 1.00 0.00 O ATOM 106 CB THR A 7 3.409 10.633 3.262 1.00 0.00 C ATOM 107 OG1 THR A 7 4.062 10.942 4.490 1.00 0.00 O ATOM 108 CG2 THR A 7 2.391 9.554 3.642 1.00 0.00 C ATOM 0 H THR A 7 5.328 9.152 4.061 1.00 0.00 H new ATOM 0 HA THR A 7 4.082 9.761 1.431 1.00 0.00 H new ATOM 0 HB THR A 7 2.899 11.450 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.789 10.298 5.177 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.619 9.990 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.934 9.151 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.895 8.753 4.182 1.00 0.00 H new ATOM 116 N LEU A 8 5.162 12.015 1.060 1.00 0.00 N ATOM 117 CA LEU A 8 6.040 13.076 0.597 1.00 0.00 C ATOM 118 C LEU A 8 6.537 13.883 1.799 1.00 0.00 C ATOM 119 O LEU A 8 7.629 14.447 1.764 1.00 0.00 O ATOM 120 CB LEU A 8 5.342 13.924 -0.467 1.00 0.00 C ATOM 121 CG LEU A 8 4.854 13.175 -1.708 1.00 0.00 C ATOM 122 CD1 LEU A 8 4.081 14.108 -2.643 1.00 0.00 C ATOM 123 CD2 LEU A 8 6.016 12.482 -2.423 1.00 0.00 C ATOM 0 H LEU A 8 4.242 12.000 0.620 1.00 0.00 H new ATOM 0 HA LEU A 8 6.920 12.656 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.487 14.418 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.029 14.708 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 8 4.163 12.396 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.745 13.550 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.217 14.515 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.730 14.924 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.641 11.957 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.750 13.227 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.486 11.768 -1.746 1.00 0.00 H new ATOM 134 N THR A 9 5.709 13.911 2.833 1.00 0.00 N ATOM 135 CA THR A 9 6.050 14.639 4.044 1.00 0.00 C ATOM 136 C THR A 9 6.944 13.785 4.946 1.00 0.00 C ATOM 137 O THR A 9 7.233 14.166 6.079 1.00 0.00 O ATOM 138 CB THR A 9 4.746 15.075 4.716 1.00 0.00 C ATOM 139 OG1 THR A 9 5.154 15.524 6.006 1.00 0.00 O ATOM 140 CG2 THR A 9 3.816 13.895 5.009 1.00 0.00 C ATOM 0 H THR A 9 4.804 13.442 2.857 1.00 0.00 H new ATOM 0 HA THR A 9 6.631 15.533 3.818 1.00 0.00 H new ATOM 0 HB THR A 9 4.231 15.794 4.078 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.132 15.510 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.906 14.259 5.486 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.561 13.392 4.076 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.318 13.193 5.674 1.00 0.00 H new ATOM 148 N GLY A 10 7.355 12.646 4.409 1.00 0.00 N ATOM 149 CA GLY A 10 8.210 11.735 5.152 1.00 0.00 C ATOM 150 C GLY A 10 7.544 11.301 6.460 1.00 0.00 C ATOM 151 O GLY A 10 8.141 11.405 7.530 1.00 0.00 O ATOM 0 H GLY A 10 7.112 12.333 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.429 10.858 4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.162 12.219 5.368 1.00 0.00 H new ATOM 155 N LYS A 11 6.315 10.823 6.330 1.00 0.00 N ATOM 156 CA LYS A 11 5.561 10.372 7.487 1.00 0.00 C ATOM 157 C LYS A 11 5.305 8.868 7.370 1.00 0.00 C ATOM 158 O LYS A 11 4.790 8.399 6.356 1.00 0.00 O ATOM 159 CB LYS A 11 4.287 11.201 7.653 1.00 0.00 C ATOM 160 CG LYS A 11 4.252 11.887 9.019 1.00 0.00 C ATOM 161 CD LYS A 11 3.785 13.339 8.894 1.00 0.00 C ATOM 162 CE LYS A 11 2.273 13.448 9.104 1.00 0.00 C ATOM 163 NZ LYS A 11 1.914 14.801 9.585 1.00 0.00 N ATOM 0 H LYS A 11 5.823 10.738 5.441 1.00 0.00 H new ATOM 0 HA LYS A 11 6.136 10.528 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.232 11.951 6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.414 10.558 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.583 11.343 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.244 11.858 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.303 13.956 9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.048 13.726 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.754 13.238 8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.945 12.700 9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.885 14.859 9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.395 14.987 10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.210 15.509 8.883 1.00 0.00 H new ATOM 173 N THR A 12 5.677 8.152 8.422 1.00 0.00 N ATOM 174 CA THR A 12 5.494 6.711 8.449 1.00 0.00 C ATOM 175 C THR A 12 4.155 6.357 9.098 1.00 0.00 C ATOM 176 O THR A 12 4.004 6.458 10.314 1.00 0.00 O ATOM 177 CB THR A 12 6.698 6.096 9.165 1.00 0.00 C ATOM 178 OG1 THR A 12 7.763 6.223 8.226 1.00 0.00 O ATOM 179 CG2 THR A 12 6.553 4.586 9.361 1.00 0.00 C ATOM 0 H THR A 12 6.104 8.543 9.261 1.00 0.00 H new ATOM 0 HA THR A 12 5.451 6.298 7.441 1.00 0.00 H new ATOM 0 HB THR A 12 6.829 6.577 10.134 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.584 5.850 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.434 4.199 9.874 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.666 4.380 9.959 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.456 4.101 8.390 1.00 0.00 H new ATOM 187 N ILE A 13 3.216 5.947 8.256 1.00 0.00 N ATOM 188 CA ILE A 13 1.894 5.577 8.733 1.00 0.00 C ATOM 189 C ILE A 13 1.767 4.052 8.734 1.00 0.00 C ATOM 190 O ILE A 13 1.986 3.407 7.710 1.00 0.00 O ATOM 191 CB ILE A 13 0.813 6.284 7.914 1.00 0.00 C ATOM 192 CG1 ILE A 13 0.576 7.706 8.430 1.00 0.00 C ATOM 193 CG2 ILE A 13 -0.478 5.463 7.886 1.00 0.00 C ATOM 194 CD1 ILE A 13 1.445 8.713 7.673 1.00 0.00 C ATOM 0 H ILE A 13 3.345 5.863 7.248 1.00 0.00 H new ATOM 0 HA ILE A 13 1.751 5.910 9.761 1.00 0.00 H new ATOM 0 HB ILE A 13 1.164 6.368 6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.476 7.968 8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.802 7.753 9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.230 5.988 7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.280 4.489 7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.844 5.326 8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.259 9.716 8.058 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.497 8.461 7.810 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.199 8.680 6.612 1.00 0.00 H new ATOM 205 N THR A 14 1.413 3.521 9.895 1.00 0.00 N ATOM 206 CA THR A 14 1.254 2.084 10.043 1.00 0.00 C ATOM 207 C THR A 14 -0.094 1.636 9.473 1.00 0.00 C ATOM 208 O THR A 14 -1.071 2.382 9.520 1.00 0.00 O ATOM 209 CB THR A 14 1.433 1.739 11.522 1.00 0.00 C ATOM 210 OG1 THR A 14 2.539 2.539 11.934 1.00 0.00 O ATOM 211 CG2 THR A 14 1.914 0.302 11.734 1.00 0.00 C ATOM 0 H THR A 14 1.232 4.060 10.742 1.00 0.00 H new ATOM 0 HA THR A 14 2.009 1.541 9.474 1.00 0.00 H new ATOM 0 HB THR A 14 0.489 1.887 12.046 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.372 2.136 11.611 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.025 0.109 12.801 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.185 -0.391 11.314 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.875 0.163 11.239 1.00 0.00 H new ATOM 219 N LEU A 15 -0.102 0.419 8.948 1.00 0.00 N ATOM 220 CA LEU A 15 -1.313 -0.138 8.371 1.00 0.00 C ATOM 221 C LEU A 15 -1.387 -1.631 8.694 1.00 0.00 C ATOM 222 O LEU A 15 -0.392 -2.345 8.580 1.00 0.00 O ATOM 223 CB LEU A 15 -1.385 0.172 6.874 1.00 0.00 C ATOM 224 CG LEU A 15 -1.073 1.616 6.472 1.00 0.00 C ATOM 225 CD1 LEU A 15 -0.527 1.682 5.045 1.00 0.00 C ATOM 226 CD2 LEU A 15 -2.298 2.513 6.661 1.00 0.00 C ATOM 0 H LEU A 15 0.711 -0.196 8.910 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.194 0.328 8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.691 -0.487 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.386 -0.075 6.520 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.292 1.994 7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.314 2.719 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.389 1.095 4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.267 1.279 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.050 3.533 6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.116 2.146 6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.601 2.499 7.708 1.00 0.00 H new ATOM 237 N GLU A 16 -2.577 -2.060 9.089 1.00 0.00 N ATOM 238 CA GLU A 16 -2.794 -3.456 9.429 1.00 0.00 C ATOM 239 C GLU A 16 -3.683 -4.126 8.380 1.00 0.00 C ATOM 240 O GLU A 16 -4.884 -4.292 8.593 1.00 0.00 O ATOM 241 CB GLU A 16 -3.397 -3.592 10.828 1.00 0.00 C ATOM 242 CG GLU A 16 -2.660 -4.658 11.643 1.00 0.00 C ATOM 243 CD GLU A 16 -3.613 -5.771 12.080 1.00 0.00 C ATOM 244 OE1 GLU A 16 -4.523 -5.459 12.880 1.00 0.00 O ATOM 245 OE2 GLU A 16 -3.412 -6.910 11.606 1.00 0.00 O ATOM 0 H GLU A 16 -3.401 -1.465 9.181 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.829 -3.963 9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.345 -2.634 11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.452 -3.855 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.851 -5.081 11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.204 -4.199 12.521 1.00 0.00 H new ATOM 250 N VAL A 17 -3.061 -4.493 7.270 1.00 0.00 N ATOM 251 CA VAL A 17 -3.782 -5.142 6.188 1.00 0.00 C ATOM 252 C VAL A 17 -3.463 -6.638 6.192 1.00 0.00 C ATOM 253 O VAL A 17 -2.747 -7.121 7.068 1.00 0.00 O ATOM 254 CB VAL A 17 -3.448 -4.464 4.857 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.084 -3.074 4.776 1.00 0.00 C ATOM 256 CG2 VAL A 17 -1.936 -4.387 4.645 1.00 0.00 C ATOM 0 H VAL A 17 -2.066 -4.353 7.096 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.858 -5.039 6.331 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.868 -5.073 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.832 -2.613 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.167 -3.164 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.707 -2.453 5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.726 -3.901 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.484 -3.812 5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.518 -5.394 4.639 1.00 0.00 H new ATOM 266 N GLU A 18 -4.009 -7.330 5.203 1.00 0.00 N ATOM 267 CA GLU A 18 -3.792 -8.761 5.083 1.00 0.00 C ATOM 268 C GLU A 18 -3.142 -9.088 3.737 1.00 0.00 C ATOM 269 O GLU A 18 -3.083 -8.238 2.849 1.00 0.00 O ATOM 270 CB GLU A 18 -5.103 -9.532 5.259 1.00 0.00 C ATOM 271 CG GLU A 18 -5.033 -10.462 6.472 1.00 0.00 C ATOM 272 CD GLU A 18 -5.900 -9.935 7.617 1.00 0.00 C ATOM 273 OE1 GLU A 18 -5.996 -8.694 7.732 1.00 0.00 O ATOM 274 OE2 GLU A 18 -6.448 -10.785 8.351 1.00 0.00 O ATOM 0 H GLU A 18 -4.601 -6.926 4.477 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.115 -9.073 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.928 -8.830 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.310 -10.114 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.366 -11.461 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.999 -10.553 6.806 1.00 0.00 H new ATOM 279 N PRO A 19 -2.655 -10.353 3.625 1.00 0.00 N ATOM 280 CA PRO A 19 -2.010 -10.802 2.403 1.00 0.00 C ATOM 281 C PRO A 19 -3.042 -11.064 1.304 1.00 0.00 C ATOM 282 O PRO A 19 -2.697 -11.121 0.124 1.00 0.00 O ATOM 283 CB PRO A 19 -1.237 -12.049 2.801 1.00 0.00 C ATOM 284 CG PRO A 19 -1.846 -12.515 4.114 1.00 0.00 C ATOM 285 CD PRO A 19 -2.707 -11.386 4.656 1.00 0.00 C ATOM 0 HA PRO A 19 -1.340 -10.053 1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.320 -12.821 2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.176 -11.830 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.446 -13.412 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.063 -12.774 4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.730 -11.718 4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.323 -11.016 5.607 1.00 0.00 H new ATOM 290 N SER A 20 -4.287 -11.216 1.729 1.00 0.00 N ATOM 291 CA SER A 20 -5.371 -11.472 0.796 1.00 0.00 C ATOM 292 C SER A 20 -6.030 -10.152 0.387 1.00 0.00 C ATOM 293 O SER A 20 -6.777 -10.104 -0.589 1.00 0.00 O ATOM 294 CB SER A 20 -6.410 -12.417 1.401 1.00 0.00 C ATOM 295 OG SER A 20 -5.839 -13.671 1.767 1.00 0.00 O ATOM 0 H SER A 20 -4.570 -11.167 2.708 1.00 0.00 H new ATOM 0 HA SER A 20 -4.954 -11.954 -0.088 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.856 -11.951 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.214 -12.580 0.683 1.00 0.00 H new ATOM 0 HG SER A 20 -6.533 -14.247 2.151 1.00 0.00 H new ATOM 300 N ASP A 21 -5.731 -9.115 1.153 1.00 0.00 N ATOM 301 CA ASP A 21 -6.284 -7.799 0.884 1.00 0.00 C ATOM 302 C ASP A 21 -5.792 -7.313 -0.481 1.00 0.00 C ATOM 303 O ASP A 21 -5.142 -8.060 -1.212 1.00 0.00 O ATOM 304 CB ASP A 21 -5.835 -6.786 1.936 1.00 0.00 C ATOM 305 CG ASP A 21 -6.896 -6.419 2.977 1.00 0.00 C ATOM 306 OD1 ASP A 21 -7.788 -5.620 2.620 1.00 0.00 O ATOM 307 OD2 ASP A 21 -6.790 -6.947 4.104 1.00 0.00 O ATOM 0 H ASP A 21 -5.111 -9.159 1.962 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.371 -7.880 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.963 -7.185 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.516 -5.876 1.429 1.00 0.00 H new ATOM 311 N THR A 22 -6.119 -6.066 -0.784 1.00 0.00 N ATOM 312 CA THR A 22 -5.717 -5.472 -2.048 1.00 0.00 C ATOM 313 C THR A 22 -5.094 -4.094 -1.815 1.00 0.00 C ATOM 314 O THR A 22 -5.112 -3.581 -0.697 1.00 0.00 O ATOM 315 CB THR A 22 -6.941 -5.438 -2.963 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.357 -6.799 -3.038 1.00 0.00 O ATOM 317 CG2 THR A 22 -6.583 -5.079 -4.407 1.00 0.00 C ATOM 0 H THR A 22 -6.658 -5.450 -0.176 1.00 0.00 H new ATOM 0 HA THR A 22 -4.944 -6.065 -2.536 1.00 0.00 H new ATOM 0 HB THR A 22 -7.662 -4.717 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.148 -6.868 -3.612 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.488 -5.069 -5.014 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.118 -4.094 -4.432 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.888 -5.819 -4.804 1.00 0.00 H new ATOM 325 N ILE A 23 -4.557 -3.534 -2.888 1.00 0.00 N ATOM 326 CA ILE A 23 -3.929 -2.225 -2.816 1.00 0.00 C ATOM 327 C ILE A 23 -5.008 -1.157 -2.631 1.00 0.00 C ATOM 328 O ILE A 23 -4.911 -0.320 -1.734 1.00 0.00 O ATOM 329 CB ILE A 23 -3.034 -1.992 -4.034 1.00 0.00 C ATOM 330 CG1 ILE A 23 -1.884 -2.999 -4.071 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.534 -0.546 -4.078 1.00 0.00 C ATOM 332 CD1 ILE A 23 -1.061 -2.938 -2.782 1.00 0.00 C ATOM 0 H ILE A 23 -4.543 -3.963 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.269 -2.165 -1.950 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.630 -2.154 -4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.281 -4.005 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.242 -2.792 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.900 -0.407 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.386 0.132 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.960 -0.332 -3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.249 -3.664 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.646 -1.937 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.701 -3.169 -1.930 1.00 0.00 H new ATOM 343 N GLU A 24 -6.012 -1.219 -3.493 1.00 0.00 N ATOM 344 CA GLU A 24 -7.108 -0.268 -3.436 1.00 0.00 C ATOM 345 C GLU A 24 -7.701 -0.225 -2.027 1.00 0.00 C ATOM 346 O GLU A 24 -8.296 0.776 -1.629 1.00 0.00 O ATOM 347 CB GLU A 24 -8.181 -0.604 -4.472 1.00 0.00 C ATOM 348 CG GLU A 24 -8.838 -1.952 -4.164 1.00 0.00 C ATOM 349 CD GLU A 24 -10.110 -2.145 -4.991 1.00 0.00 C ATOM 350 OE1 GLU A 24 -11.123 -1.507 -4.629 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.042 -2.924 -5.966 1.00 0.00 O ATOM 0 H GLU A 24 -6.089 -1.914 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.717 0.721 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.939 0.180 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.736 -0.631 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.137 -2.759 -4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.078 -2.009 -3.102 1.00 0.00 H new ATOM 356 N ASN A 25 -7.519 -1.324 -1.309 1.00 0.00 N ATOM 357 CA ASN A 25 -8.029 -1.424 0.049 1.00 0.00 C ATOM 358 C ASN A 25 -7.076 -0.699 1.002 1.00 0.00 C ATOM 359 O ASN A 25 -7.517 0.006 1.907 1.00 0.00 O ATOM 360 CB ASN A 25 -8.124 -2.885 0.494 1.00 0.00 C ATOM 361 CG ASN A 25 -9.559 -3.403 0.375 1.00 0.00 C ATOM 362 OD1 ASN A 25 -10.296 -3.491 1.343 1.00 0.00 O ATOM 363 ND2 ASN A 25 -9.912 -3.738 -0.862 1.00 0.00 N ATOM 0 H ASN A 25 -7.026 -2.153 -1.642 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.022 -0.975 0.071 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.461 -3.498 -0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.785 -2.977 1.526 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.850 -4.094 -1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.245 -3.639 -1.627 1.00 0.00 H new ATOM 369 N VAL A 26 -5.788 -0.899 0.764 1.00 0.00 N ATOM 370 CA VAL A 26 -4.770 -0.273 1.591 1.00 0.00 C ATOM 371 C VAL A 26 -4.857 1.246 1.437 1.00 0.00 C ATOM 372 O VAL A 26 -4.888 1.973 2.428 1.00 0.00 O ATOM 373 CB VAL A 26 -3.391 -0.833 1.234 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.282 -0.052 1.944 1.00 0.00 C ATOM 375 CG2 VAL A 26 -3.304 -2.325 1.557 1.00 0.00 C ATOM 0 H VAL A 26 -5.426 -1.485 0.011 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.937 -0.502 2.643 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.249 -0.715 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.312 -0.470 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.323 0.994 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.420 -0.124 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.314 -2.697 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.477 -2.477 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.059 -2.866 0.986 1.00 0.00 H new ATOM 385 N LYS A 27 -4.894 1.681 0.186 1.00 0.00 N ATOM 386 CA LYS A 27 -4.977 3.102 -0.110 1.00 0.00 C ATOM 387 C LYS A 27 -6.195 3.696 0.599 1.00 0.00 C ATOM 388 O LYS A 27 -6.093 4.733 1.252 1.00 0.00 O ATOM 389 CB LYS A 27 -4.972 3.334 -1.623 1.00 0.00 C ATOM 390 CG LYS A 27 -3.645 2.887 -2.241 1.00 0.00 C ATOM 391 CD LYS A 27 -3.849 2.391 -3.674 1.00 0.00 C ATOM 392 CE LYS A 27 -4.045 3.563 -4.637 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.950 3.178 -5.744 1.00 0.00 N ATOM 0 H LYS A 27 -4.868 1.075 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.100 3.623 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.794 2.785 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.138 4.391 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.939 3.718 -2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.207 2.093 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.987 1.801 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.717 1.733 -3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.459 4.417 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.081 3.876 -5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.073 3.985 -6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.540 2.377 -6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.874 2.901 -5.356 1.00 0.00 H new ATOM 403 N ALA A 28 -7.320 3.012 0.447 1.00 0.00 N ATOM 404 CA ALA A 28 -8.557 3.459 1.064 1.00 0.00 C ATOM 405 C ALA A 28 -8.308 3.744 2.547 1.00 0.00 C ATOM 406 O ALA A 28 -8.998 4.565 3.149 1.00 0.00 O ATOM 407 CB ALA A 28 -9.646 2.407 0.848 1.00 0.00 C ATOM 0 H ALA A 28 -7.400 2.151 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.902 4.384 0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.574 2.743 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.806 2.263 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.336 1.464 1.299 1.00 0.00 H new ATOM 413 N LYS A 29 -7.319 3.050 3.092 1.00 0.00 N ATOM 414 CA LYS A 29 -6.971 3.218 4.492 1.00 0.00 C ATOM 415 C LYS A 29 -6.139 4.491 4.657 1.00 0.00 C ATOM 416 O LYS A 29 -6.185 5.135 5.704 1.00 0.00 O ATOM 417 CB LYS A 29 -6.283 1.961 5.027 1.00 0.00 C ATOM 418 CG LYS A 29 -7.018 0.697 4.574 1.00 0.00 C ATOM 419 CD LYS A 29 -7.261 -0.248 5.752 1.00 0.00 C ATOM 420 CE LYS A 29 -5.976 -0.985 6.137 1.00 0.00 C ATOM 421 NZ LYS A 29 -5.614 -0.695 7.543 1.00 0.00 N ATOM 0 H LYS A 29 -6.748 2.371 2.589 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.870 3.343 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.251 1.931 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.250 1.996 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.970 0.969 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.433 0.187 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.630 0.318 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.034 -0.970 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.111 -2.058 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.164 -0.682 5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.904 -1.382 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.221 0.266 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.462 -0.764 8.141 1.00 0.00 H new ATOM 431 N ILE A 30 -5.399 4.817 3.608 1.00 0.00 N ATOM 432 CA ILE A 30 -4.558 6.001 3.623 1.00 0.00 C ATOM 433 C ILE A 30 -5.438 7.247 3.495 1.00 0.00 C ATOM 434 O ILE A 30 -5.051 8.331 3.927 1.00 0.00 O ATOM 435 CB ILE A 30 -3.473 5.902 2.549 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.880 4.492 2.498 1.00 0.00 C ATOM 437 CG2 ILE A 30 -2.397 6.969 2.757 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.291 4.095 3.852 1.00 0.00 C ATOM 0 H ILE A 30 -5.364 4.281 2.741 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.028 6.080 4.572 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.933 6.094 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.653 3.779 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.105 4.447 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.638 6.876 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.851 7.959 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.934 6.833 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.877 3.089 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.502 4.796 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.074 4.117 4.610 1.00 0.00 H new ATOM 449 N GLN A 31 -6.604 7.050 2.899 1.00 0.00 N ATOM 450 CA GLN A 31 -7.541 8.143 2.709 1.00 0.00 C ATOM 451 C GLN A 31 -7.974 8.713 4.061 1.00 0.00 C ATOM 452 O GLN A 31 -8.018 9.929 4.241 1.00 0.00 O ATOM 453 CB GLN A 31 -8.754 7.691 1.891 1.00 0.00 C ATOM 454 CG GLN A 31 -8.317 7.021 0.587 1.00 0.00 C ATOM 455 CD GLN A 31 -7.705 8.041 -0.375 1.00 0.00 C ATOM 456 OE1 GLN A 31 -8.341 8.993 -0.798 1.00 0.00 O ATOM 457 NE2 GLN A 31 -6.439 7.790 -0.698 1.00 0.00 N ATOM 0 H GLN A 31 -6.921 6.149 2.541 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.039 8.931 2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.354 6.996 2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.387 8.550 1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.591 6.237 0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.174 6.540 0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.965 6.975 -0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.942 8.412 -1.335 1.00 0.00 H new ATOM 464 N ASP A 32 -8.282 7.807 4.978 1.00 0.00 N ATOM 465 CA ASP A 32 -8.709 8.204 6.309 1.00 0.00 C ATOM 466 C ASP A 32 -7.485 8.325 7.218 1.00 0.00 C ATOM 467 O ASP A 32 -7.280 9.358 7.854 1.00 0.00 O ATOM 468 CB ASP A 32 -9.650 7.164 6.918 1.00 0.00 C ATOM 469 CG ASP A 32 -10.864 7.739 7.651 1.00 0.00 C ATOM 470 OD1 ASP A 32 -11.277 8.858 7.274 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.351 7.049 8.572 1.00 0.00 O ATOM 0 H ASP A 32 -8.244 6.799 4.825 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.231 9.157 6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.002 6.506 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.083 6.547 7.615 1.00 0.00 H new ATOM 475 N LYS A 33 -6.704 7.255 7.250 1.00 0.00 N ATOM 476 CA LYS A 33 -5.506 7.229 8.070 1.00 0.00 C ATOM 477 C LYS A 33 -4.856 8.615 8.063 1.00 0.00 C ATOM 478 O LYS A 33 -4.569 9.175 9.119 1.00 0.00 O ATOM 479 CB LYS A 33 -4.569 6.108 7.615 1.00 0.00 C ATOM 480 CG LYS A 33 -5.115 4.738 8.022 1.00 0.00 C ATOM 481 CD LYS A 33 -4.743 4.406 9.468 1.00 0.00 C ATOM 482 CE LYS A 33 -5.908 4.700 10.416 1.00 0.00 C ATOM 483 NZ LYS A 33 -6.148 3.549 11.315 1.00 0.00 N ATOM 0 H LYS A 33 -6.878 6.400 6.721 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.759 7.001 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.447 6.148 6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.581 6.255 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.199 4.727 7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.718 3.972 7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.465 3.355 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.871 4.989 9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.689 5.590 11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.808 4.913 9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.942 3.765 11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.378 2.708 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.293 3.364 11.878 1.00 0.00 H new ATOM 493 N GLU A 34 -4.642 9.126 6.859 1.00 0.00 N ATOM 494 CA GLU A 34 -4.032 10.434 6.700 1.00 0.00 C ATOM 495 C GLU A 34 -5.112 11.513 6.580 1.00 0.00 C ATOM 496 O GLU A 34 -5.030 12.552 7.232 1.00 0.00 O ATOM 497 CB GLU A 34 -3.096 10.459 5.491 1.00 0.00 C ATOM 498 CG GLU A 34 -1.656 10.748 5.918 1.00 0.00 C ATOM 499 CD GLU A 34 -1.244 12.170 5.532 1.00 0.00 C ATOM 500 OE1 GLU A 34 -1.529 13.082 6.338 1.00 0.00 O ATOM 501 OE2 GLU A 34 -0.654 12.315 4.439 1.00 0.00 O ATOM 0 H GLU A 34 -4.880 8.657 5.985 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.433 10.644 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.140 9.501 4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.429 11.219 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.560 10.618 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.983 10.031 5.449 1.00 0.00 H new ATOM 506 N GLY A 35 -6.098 11.227 5.742 1.00 0.00 N ATOM 507 CA GLY A 35 -7.191 12.159 5.529 1.00 0.00 C ATOM 508 C GLY A 35 -7.058 12.861 4.176 1.00 0.00 C ATOM 509 O GLY A 35 -7.623 13.934 3.970 1.00 0.00 O ATOM 0 H GLY A 35 -6.162 10.363 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.141 11.627 5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.202 12.901 6.328 1.00 0.00 H new ATOM 513 N ILE A 36 -6.306 12.226 3.287 1.00 0.00 N ATOM 514 CA ILE A 36 -6.091 12.776 1.960 1.00 0.00 C ATOM 515 C ILE A 36 -6.952 12.013 0.951 1.00 0.00 C ATOM 516 O ILE A 36 -7.180 10.815 1.106 1.00 0.00 O ATOM 517 CB ILE A 36 -4.600 12.781 1.617 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.869 13.897 2.365 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.386 12.869 0.104 1.00 0.00 C ATOM 520 CD1 ILE A 36 -2.573 13.380 2.993 1.00 0.00 C ATOM 0 H ILE A 36 -5.839 11.336 3.461 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.406 13.819 1.924 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.170 11.836 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.644 14.713 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.517 14.304 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.318 12.871 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.853 12.011 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.835 13.788 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.073 14.194 3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.804 12.581 3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.917 12.997 2.211 1.00 0.00 H new ATOM 531 N PRO A 37 -7.417 12.758 -0.087 1.00 0.00 N ATOM 532 CA PRO A 37 -8.247 12.165 -1.121 1.00 0.00 C ATOM 533 C PRO A 37 -7.410 11.304 -2.070 1.00 0.00 C ATOM 534 O PRO A 37 -6.189 11.436 -2.119 1.00 0.00 O ATOM 535 CB PRO A 37 -8.910 13.342 -1.818 1.00 0.00 C ATOM 536 CG PRO A 37 -8.077 14.562 -1.458 1.00 0.00 C ATOM 537 CD PRO A 37 -7.166 14.181 -0.304 1.00 0.00 C ATOM 0 HA PRO A 37 -8.996 11.484 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.937 13.192 -2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.942 13.462 -1.487 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.490 14.890 -2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.722 15.395 -1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.120 14.366 -0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.393 14.764 0.589 1.00 0.00 H new ATOM 542 N PRO A 38 -8.120 10.418 -2.819 1.00 0.00 N ATOM 543 CA PRO A 38 -7.455 9.536 -3.763 1.00 0.00 C ATOM 544 C PRO A 38 -7.021 10.299 -5.015 1.00 0.00 C ATOM 545 O PRO A 38 -6.462 9.714 -5.942 1.00 0.00 O ATOM 546 CB PRO A 38 -8.467 8.440 -4.057 1.00 0.00 C ATOM 547 CG PRO A 38 -9.817 8.996 -3.634 1.00 0.00 C ATOM 548 CD PRO A 38 -9.568 10.234 -2.788 1.00 0.00 C ATOM 0 HA PRO A 38 -6.533 9.113 -3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.466 8.181 -5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.229 7.530 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.418 9.246 -4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.375 8.252 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.086 11.102 -3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.928 10.096 -1.768 1.00 0.00 H new ATOM 553 N ASP A 39 -7.294 11.596 -5.003 1.00 0.00 N ATOM 554 CA ASP A 39 -6.938 12.447 -6.126 1.00 0.00 C ATOM 555 C ASP A 39 -5.421 12.646 -6.149 1.00 0.00 C ATOM 556 O ASP A 39 -4.830 12.821 -7.214 1.00 0.00 O ATOM 557 CB ASP A 39 -7.593 13.823 -6.004 1.00 0.00 C ATOM 558 CG ASP A 39 -8.722 14.093 -7.001 1.00 0.00 C ATOM 559 OD1 ASP A 39 -8.632 13.545 -8.122 1.00 0.00 O ATOM 560 OD2 ASP A 39 -9.649 14.840 -6.621 1.00 0.00 O ATOM 0 H ASP A 39 -7.758 12.078 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.285 11.962 -7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.987 13.933 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.826 14.587 -6.132 1.00 0.00 H new ATOM 564 N GLN A 40 -4.834 12.612 -4.962 1.00 0.00 N ATOM 565 CA GLN A 40 -3.397 12.786 -4.832 1.00 0.00 C ATOM 566 C GLN A 40 -2.801 11.666 -3.979 1.00 0.00 C ATOM 567 O GLN A 40 -2.006 11.924 -3.076 1.00 0.00 O ATOM 568 CB GLN A 40 -3.063 14.160 -4.246 1.00 0.00 C ATOM 569 CG GLN A 40 -3.941 15.249 -4.865 1.00 0.00 C ATOM 570 CD GLN A 40 -4.585 16.115 -3.780 1.00 0.00 C ATOM 571 OE1 GLN A 40 -4.322 17.299 -3.657 1.00 0.00 O ATOM 572 NE2 GLN A 40 -5.444 15.459 -3.003 1.00 0.00 N ATOM 0 H GLN A 40 -5.327 12.467 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.953 12.733 -5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.206 14.143 -3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.013 14.390 -4.425 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.340 15.874 -5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.717 14.791 -5.478 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.619 14.466 -3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.928 15.949 -2.250 1.00 0.00 H new ATOM 579 N GLN A 41 -3.209 10.445 -4.293 1.00 0.00 N ATOM 580 CA GLN A 41 -2.725 9.284 -3.566 1.00 0.00 C ATOM 581 C GLN A 41 -2.242 8.209 -4.543 1.00 0.00 C ATOM 582 O GLN A 41 -2.864 7.982 -5.580 1.00 0.00 O ATOM 583 CB GLN A 41 -3.805 8.731 -2.634 1.00 0.00 C ATOM 584 CG GLN A 41 -3.949 9.601 -1.385 1.00 0.00 C ATOM 585 CD GLN A 41 -3.630 8.803 -0.120 1.00 0.00 C ATOM 586 OE1 GLN A 41 -2.566 8.222 0.028 1.00 0.00 O ATOM 587 NE2 GLN A 41 -4.608 8.805 0.782 1.00 0.00 N ATOM 0 H GLN A 41 -3.869 10.235 -5.041 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.881 9.592 -2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.758 8.686 -3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.553 7.711 -2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.280 10.459 -1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.964 9.993 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.473 9.312 0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.493 8.300 1.661 1.00 0.00 H new ATOM 594 N ARG A 42 -1.137 7.577 -4.178 1.00 0.00 N ATOM 595 CA ARG A 42 -0.563 6.532 -5.009 1.00 0.00 C ATOM 596 C ARG A 42 0.366 5.643 -4.179 1.00 0.00 C ATOM 597 O ARG A 42 1.426 6.087 -3.739 1.00 0.00 O ATOM 598 CB ARG A 42 0.224 7.127 -6.179 1.00 0.00 C ATOM 599 CG ARG A 42 0.413 6.097 -7.293 1.00 0.00 C ATOM 600 CD ARG A 42 0.256 6.744 -8.670 1.00 0.00 C ATOM 601 NE ARG A 42 1.340 7.726 -8.896 1.00 0.00 N ATOM 602 CZ ARG A 42 2.606 7.394 -9.184 1.00 0.00 C ATOM 603 NH1 ARG A 42 2.954 6.103 -9.285 1.00 0.00 N ATOM 604 NH2 ARG A 42 3.523 8.352 -9.373 1.00 0.00 N ATOM 0 H ARG A 42 -0.623 7.768 -3.318 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.385 5.936 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.302 7.998 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.197 7.472 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.401 5.644 -7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.316 5.295 -7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.281 5.978 -9.445 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.713 7.238 -8.740 1.00 0.00 H new ATOM 0 HE ARG A 42 1.109 8.717 -8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.255 5.374 -9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.918 5.850 -9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.258 9.334 -9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.487 8.099 -9.592 1.00 0.00 H new ATOM 615 N LEU A 43 -0.065 4.406 -3.989 1.00 0.00 N ATOM 616 CA LEU A 43 0.714 3.451 -3.219 1.00 0.00 C ATOM 617 C LEU A 43 1.802 2.850 -4.113 1.00 0.00 C ATOM 618 O LEU A 43 1.537 2.476 -5.254 1.00 0.00 O ATOM 619 CB LEU A 43 -0.201 2.406 -2.577 1.00 0.00 C ATOM 620 CG LEU A 43 0.121 2.033 -1.129 1.00 0.00 C ATOM 621 CD1 LEU A 43 0.353 3.284 -0.279 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.967 1.133 -0.540 1.00 0.00 C ATOM 0 H LEU A 43 -0.945 4.042 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 43 1.219 3.950 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.226 2.775 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.165 1.500 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 43 1.050 1.462 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.580 2.991 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.189 3.852 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.545 3.902 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.714 0.882 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.923 1.656 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.040 0.218 -1.128 1.00 0.00 H new ATOM 633 N ILE A 44 3.003 2.776 -3.558 1.00 0.00 N ATOM 634 CA ILE A 44 4.133 2.227 -4.289 1.00 0.00 C ATOM 635 C ILE A 44 4.998 1.400 -3.337 1.00 0.00 C ATOM 636 O ILE A 44 5.460 1.905 -2.316 1.00 0.00 O ATOM 637 CB ILE A 44 4.899 3.341 -5.007 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.265 3.658 -6.363 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.382 2.990 -5.135 1.00 0.00 C ATOM 640 CD1 ILE A 44 5.284 4.295 -7.309 1.00 0.00 C ATOM 0 H ILE A 44 3.218 3.087 -2.611 1.00 0.00 H new ATOM 0 HA ILE A 44 3.788 1.553 -5.073 1.00 0.00 H new ATOM 0 HB ILE A 44 4.833 4.246 -4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.873 2.743 -6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.420 4.333 -6.225 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.904 3.797 -5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.811 2.854 -4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.490 2.068 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.808 4.510 -8.265 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.656 5.222 -6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.116 3.608 -7.464 1.00 0.00 H new ATOM 651 N PHE A 45 5.192 0.142 -3.706 1.00 0.00 N ATOM 652 CA PHE A 45 5.993 -0.760 -2.898 1.00 0.00 C ATOM 653 C PHE A 45 7.306 -1.107 -3.602 1.00 0.00 C ATOM 654 O PHE A 45 7.318 -1.379 -4.801 1.00 0.00 O ATOM 655 CB PHE A 45 5.175 -2.040 -2.710 1.00 0.00 C ATOM 656 CG PHE A 45 5.779 -3.023 -1.705 1.00 0.00 C ATOM 657 CD1 PHE A 45 6.174 -2.585 -0.479 1.00 0.00 C ATOM 658 CD2 PHE A 45 5.920 -4.334 -2.037 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.735 -3.498 0.453 1.00 0.00 C ATOM 660 CE2 PHE A 45 6.481 -5.247 -1.105 1.00 0.00 C ATOM 661 CZ PHE A 45 6.876 -4.809 0.120 1.00 0.00 C ATOM 0 H PHE A 45 4.808 -0.273 -4.555 1.00 0.00 H new ATOM 0 HA PHE A 45 6.236 -0.289 -1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.171 -1.772 -2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.073 -2.539 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.061 -1.544 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.605 -4.681 -3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.050 -3.151 1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.594 -6.288 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.302 -5.503 0.829 1.00 0.00 H new ATOM 670 N ALA A 46 8.380 -1.088 -2.826 1.00 0.00 N ATOM 671 CA ALA A 46 9.695 -1.398 -3.360 1.00 0.00 C ATOM 672 C ALA A 46 9.903 -0.631 -4.667 1.00 0.00 C ATOM 673 O ALA A 46 10.117 -1.233 -5.718 1.00 0.00 O ATOM 674 CB ALA A 46 9.828 -2.911 -3.545 1.00 0.00 C ATOM 0 H ALA A 46 8.366 -0.863 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 46 10.475 -1.085 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.815 -3.143 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.701 -3.408 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.063 -3.261 -4.238 1.00 0.00 H new ATOM 680 N GLY A 47 9.833 0.688 -4.560 1.00 0.00 N ATOM 681 CA GLY A 47 10.011 1.544 -5.720 1.00 0.00 C ATOM 682 C GLY A 47 9.373 0.922 -6.964 1.00 0.00 C ATOM 683 O GLY A 47 9.965 0.933 -8.042 1.00 0.00 O ATOM 0 H GLY A 47 9.655 1.185 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.565 2.520 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.074 1.708 -5.896 1.00 0.00 H new ATOM 687 N LYS A 48 8.172 0.395 -6.773 1.00 0.00 N ATOM 688 CA LYS A 48 7.448 -0.231 -7.865 1.00 0.00 C ATOM 689 C LYS A 48 5.978 0.191 -7.804 1.00 0.00 C ATOM 690 O LYS A 48 5.435 0.407 -6.722 1.00 0.00 O ATOM 691 CB LYS A 48 7.654 -1.747 -7.846 1.00 0.00 C ATOM 692 CG LYS A 48 6.476 -2.469 -8.506 1.00 0.00 C ATOM 693 CD LYS A 48 6.649 -3.987 -8.424 1.00 0.00 C ATOM 694 CE LYS A 48 7.753 -4.465 -9.369 1.00 0.00 C ATOM 695 NZ LYS A 48 8.987 -4.770 -8.610 1.00 0.00 N ATOM 0 H LYS A 48 7.683 0.389 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 48 7.838 0.108 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.578 -1.999 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.765 -2.090 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.546 -2.178 -8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.396 -2.164 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.892 -4.274 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.710 -4.478 -8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.421 -5.353 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.958 -3.698 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.800 -4.778 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.134 -4.044 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.895 -5.702 -8.158 1.00 0.00 H new ATOM 705 N GLN A 49 5.376 0.292 -8.980 1.00 0.00 N ATOM 706 CA GLN A 49 3.980 0.684 -9.074 1.00 0.00 C ATOM 707 C GLN A 49 3.076 -0.457 -8.604 1.00 0.00 C ATOM 708 O GLN A 49 3.380 -1.628 -8.828 1.00 0.00 O ATOM 709 CB GLN A 49 3.625 1.114 -10.499 1.00 0.00 C ATOM 710 CG GLN A 49 3.383 2.623 -10.573 1.00 0.00 C ATOM 711 CD GLN A 49 1.889 2.933 -10.695 1.00 0.00 C ATOM 712 OE1 GLN A 49 1.323 2.968 -11.775 1.00 0.00 O ATOM 713 NE2 GLN A 49 1.286 3.155 -9.531 1.00 0.00 N ATOM 0 H GLN A 49 5.829 0.109 -9.875 1.00 0.00 H new ATOM 0 HA GLN A 49 3.819 1.542 -8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.432 0.838 -11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.733 0.582 -10.831 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.786 3.104 -9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.916 3.039 -11.428 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.820 3.110 -8.663 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.289 3.370 -9.506 1.00 0.00 H new ATOM 720 N LEU A 50 1.982 -0.076 -7.961 1.00 0.00 N ATOM 721 CA LEU A 50 1.031 -1.053 -7.458 1.00 0.00 C ATOM 722 C LEU A 50 -0.212 -1.056 -8.351 1.00 0.00 C ATOM 723 O LEU A 50 -0.265 -0.338 -9.348 1.00 0.00 O ATOM 724 CB LEU A 50 0.727 -0.793 -5.981 1.00 0.00 C ATOM 725 CG LEU A 50 1.386 -1.747 -4.982 1.00 0.00 C ATOM 726 CD1 LEU A 50 2.745 -2.227 -5.498 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.491 -1.105 -3.598 1.00 0.00 C ATOM 0 H LEU A 50 1.733 0.896 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 50 1.456 -2.056 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.037 0.224 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.353 -0.839 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 50 0.752 -2.627 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.192 -2.903 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.611 -2.750 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.401 -1.369 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.963 -1.804 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.091 -0.198 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.494 -0.855 -3.236 1.00 0.00 H new ATOM 738 N GLU A 51 -1.180 -1.871 -7.959 1.00 0.00 N ATOM 739 CA GLU A 51 -2.419 -1.975 -8.711 1.00 0.00 C ATOM 740 C GLU A 51 -3.559 -2.425 -7.795 1.00 0.00 C ATOM 741 O GLU A 51 -3.340 -3.179 -6.848 1.00 0.00 O ATOM 742 CB GLU A 51 -2.261 -2.928 -9.898 1.00 0.00 C ATOM 743 CG GLU A 51 -1.844 -2.169 -11.159 1.00 0.00 C ATOM 744 CD GLU A 51 -2.321 -2.896 -12.419 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.541 -2.832 -12.682 1.00 0.00 O ATOM 746 OE2 GLU A 51 -1.454 -3.496 -13.089 1.00 0.00 O ATOM 0 H GLU A 51 -1.132 -2.465 -7.131 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.665 -0.990 -9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.515 -3.687 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.201 -3.450 -10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.260 -1.162 -11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.759 -2.065 -11.183 1.00 0.00 H new ATOM 751 N ASP A 52 -4.753 -1.944 -8.110 1.00 0.00 N ATOM 752 CA ASP A 52 -5.928 -2.286 -7.327 1.00 0.00 C ATOM 753 C ASP A 52 -6.356 -3.718 -7.656 1.00 0.00 C ATOM 754 O ASP A 52 -7.159 -4.311 -6.938 1.00 0.00 O ATOM 755 CB ASP A 52 -7.098 -1.356 -7.655 1.00 0.00 C ATOM 756 CG ASP A 52 -7.430 -1.233 -9.143 1.00 0.00 C ATOM 757 OD1 ASP A 52 -6.842 -0.333 -9.782 1.00 0.00 O ATOM 758 OD2 ASP A 52 -8.263 -2.041 -9.608 1.00 0.00 O ATOM 0 H ASP A 52 -4.932 -1.320 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.671 -2.185 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.984 -1.712 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.873 -0.363 -7.265 1.00 0.00 H new ATOM 762 N GLY A 53 -5.799 -4.232 -8.743 1.00 0.00 N ATOM 763 CA GLY A 53 -6.113 -5.583 -9.177 1.00 0.00 C ATOM 764 C GLY A 53 -5.115 -6.589 -8.600 1.00 0.00 C ATOM 765 O GLY A 53 -5.396 -7.786 -8.545 1.00 0.00 O ATOM 0 H GLY A 53 -5.132 -3.737 -9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.123 -5.845 -8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.097 -5.632 -10.266 1.00 0.00 H new ATOM 769 N ARG A 54 -3.970 -6.067 -8.185 1.00 0.00 N ATOM 770 CA ARG A 54 -2.929 -6.905 -7.614 1.00 0.00 C ATOM 771 C ARG A 54 -3.249 -7.229 -6.154 1.00 0.00 C ATOM 772 O ARG A 54 -4.346 -6.941 -5.676 1.00 0.00 O ATOM 773 CB ARG A 54 -1.565 -6.217 -7.689 1.00 0.00 C ATOM 774 CG ARG A 54 -0.760 -6.723 -8.888 1.00 0.00 C ATOM 775 CD ARG A 54 -0.355 -8.187 -8.697 1.00 0.00 C ATOM 776 NE ARG A 54 0.473 -8.635 -9.839 1.00 0.00 N ATOM 777 CZ ARG A 54 0.601 -9.914 -10.217 1.00 0.00 C ATOM 778 NH1 ARG A 54 -0.043 -10.879 -9.547 1.00 0.00 N ATOM 779 NH2 ARG A 54 1.375 -10.229 -11.265 1.00 0.00 N ATOM 0 H ARG A 54 -3.740 -5.074 -8.233 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.891 -7.827 -8.194 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.702 -5.138 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.010 -6.402 -6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.352 -6.621 -9.797 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.131 -6.109 -9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.201 -8.301 -7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.245 -8.811 -8.615 1.00 0.00 H new ATOM 0 HE ARG A 54 0.977 -7.926 -10.371 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.631 -10.640 -8.749 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.055 -11.853 -9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.867 -9.495 -11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.472 -11.203 -11.553 1.00 0.00 H new ATOM 790 N THR A 55 -2.273 -7.824 -5.484 1.00 0.00 N ATOM 791 CA THR A 55 -2.437 -8.190 -4.088 1.00 0.00 C ATOM 792 C THR A 55 -1.083 -8.203 -3.377 1.00 0.00 C ATOM 793 O THR A 55 -0.038 -8.272 -4.024 1.00 0.00 O ATOM 794 CB THR A 55 -3.164 -9.535 -4.034 1.00 0.00 C ATOM 795 OG1 THR A 55 -2.958 -10.093 -5.330 1.00 0.00 O ATOM 796 CG2 THR A 55 -4.682 -9.377 -3.934 1.00 0.00 C ATOM 0 H THR A 55 -1.365 -8.062 -5.883 1.00 0.00 H new ATOM 0 HA THR A 55 -3.041 -7.456 -3.555 1.00 0.00 H new ATOM 0 HB THR A 55 -2.802 -10.109 -3.181 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.723 -11.040 -5.245 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.149 -10.361 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.931 -8.825 -3.028 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.049 -8.832 -4.804 1.00 0.00 H new ATOM 804 N LEU A 56 -1.143 -8.136 -2.056 1.00 0.00 N ATOM 805 CA LEU A 56 0.067 -8.139 -1.250 1.00 0.00 C ATOM 806 C LEU A 56 0.805 -9.464 -1.453 1.00 0.00 C ATOM 807 O LEU A 56 1.996 -9.472 -1.765 1.00 0.00 O ATOM 808 CB LEU A 56 -0.264 -7.837 0.213 1.00 0.00 C ATOM 809 CG LEU A 56 -1.439 -6.888 0.454 1.00 0.00 C ATOM 810 CD1 LEU A 56 -1.489 -6.434 1.914 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.392 -5.702 -0.513 1.00 0.00 C ATOM 0 H LEU A 56 -2.011 -8.079 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 56 0.742 -7.345 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.474 -8.779 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.622 -7.413 0.685 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.363 -7.432 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.334 -5.760 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.604 -7.303 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.564 -5.915 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.238 -5.042 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.462 -5.151 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.442 -6.067 -1.539 1.00 0.00 H new ATOM 822 N SER A 57 0.071 -10.549 -1.266 1.00 0.00 N ATOM 823 CA SER A 57 0.641 -11.877 -1.425 1.00 0.00 C ATOM 824 C SER A 57 1.127 -12.068 -2.862 1.00 0.00 C ATOM 825 O SER A 57 1.910 -12.976 -3.141 1.00 0.00 O ATOM 826 CB SER A 57 -0.374 -12.960 -1.058 1.00 0.00 C ATOM 827 OG SER A 57 0.242 -14.234 -0.887 1.00 0.00 O ATOM 0 H SER A 57 -0.915 -10.537 -1.005 1.00 0.00 H new ATOM 0 HA SER A 57 1.489 -11.969 -0.746 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.887 -12.679 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.132 -13.026 -1.839 1.00 0.00 H new ATOM 0 HG SER A 57 -0.439 -14.898 -0.652 1.00 0.00 H new ATOM 832 N ASP A 58 0.644 -11.200 -3.738 1.00 0.00 N ATOM 833 CA ASP A 58 1.019 -11.262 -5.140 1.00 0.00 C ATOM 834 C ASP A 58 2.253 -10.387 -5.372 1.00 0.00 C ATOM 835 O ASP A 58 3.025 -10.630 -6.298 1.00 0.00 O ATOM 836 CB ASP A 58 -0.106 -10.739 -6.035 1.00 0.00 C ATOM 837 CG ASP A 58 -0.908 -11.821 -6.763 1.00 0.00 C ATOM 838 OD1 ASP A 58 -0.303 -12.874 -7.058 1.00 0.00 O ATOM 839 OD2 ASP A 58 -2.107 -11.568 -7.009 1.00 0.00 O ATOM 0 H ASP A 58 -0.005 -10.449 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 58 1.223 -12.303 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.790 -10.149 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.323 -10.065 -6.776 1.00 0.00 H new ATOM 843 N TYR A 59 2.400 -9.387 -4.516 1.00 0.00 N ATOM 844 CA TYR A 59 3.527 -8.476 -4.616 1.00 0.00 C ATOM 845 C TYR A 59 4.670 -8.913 -3.698 1.00 0.00 C ATOM 846 O TYR A 59 5.701 -8.246 -3.622 1.00 0.00 O ATOM 847 CB TYR A 59 3.010 -7.112 -4.152 1.00 0.00 C ATOM 848 CG TYR A 59 2.400 -6.265 -5.271 1.00 0.00 C ATOM 849 CD1 TYR A 59 3.016 -6.205 -6.505 1.00 0.00 C ATOM 850 CD2 TYR A 59 1.235 -5.560 -5.046 1.00 0.00 C ATOM 851 CE1 TYR A 59 2.443 -5.407 -7.557 1.00 0.00 C ATOM 852 CE2 TYR A 59 0.662 -4.762 -6.099 1.00 0.00 C ATOM 853 CZ TYR A 59 1.294 -4.725 -7.303 1.00 0.00 C ATOM 854 OH TYR A 59 0.752 -3.971 -8.297 1.00 0.00 O ATOM 0 H TYR A 59 1.757 -9.188 -3.750 1.00 0.00 H new ATOM 0 HA TYR A 59 3.911 -8.453 -5.636 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.260 -7.264 -3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.832 -6.558 -3.698 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.928 -6.757 -6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.753 -5.607 -4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.915 -5.351 -8.527 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.249 -4.205 -5.936 1.00 0.00 H new ATOM 0 HH TYR A 59 1.159 -4.217 -9.154 1.00 0.00 H new ATOM 863 N ASN A 60 4.450 -10.032 -3.023 1.00 0.00 N ATOM 864 CA ASN A 60 5.448 -10.566 -2.114 1.00 0.00 C ATOM 865 C ASN A 60 5.449 -9.743 -0.824 1.00 0.00 C ATOM 866 O ASN A 60 6.306 -9.935 0.038 1.00 0.00 O ATOM 867 CB ASN A 60 6.848 -10.489 -2.724 1.00 0.00 C ATOM 868 CG ASN A 60 6.819 -10.862 -4.209 1.00 0.00 C ATOM 869 OD1 ASN A 60 6.593 -11.999 -4.585 1.00 0.00 O ATOM 870 ND2 ASN A 60 7.061 -9.842 -5.027 1.00 0.00 N ATOM 0 H ASN A 60 3.594 -10.583 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 60 5.199 -11.608 -1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.245 -9.481 -2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.519 -11.161 -2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.065 -9.988 -6.037 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.243 -8.914 -4.645 1.00 0.00 H new ATOM 876 N ILE A 61 4.481 -8.843 -0.732 1.00 0.00 N ATOM 877 CA ILE A 61 4.359 -7.989 0.438 1.00 0.00 C ATOM 878 C ILE A 61 4.210 -8.862 1.686 1.00 0.00 C ATOM 879 O ILE A 61 3.463 -9.838 1.680 1.00 0.00 O ATOM 880 CB ILE A 61 3.223 -6.984 0.251 1.00 0.00 C ATOM 881 CG1 ILE A 61 3.628 -5.872 -0.720 1.00 0.00 C ATOM 882 CG2 ILE A 61 2.756 -6.426 1.597 1.00 0.00 C ATOM 883 CD1 ILE A 61 2.402 -5.102 -1.215 1.00 0.00 C ATOM 0 H ILE A 61 3.773 -8.686 -1.449 1.00 0.00 H new ATOM 0 HA ILE A 61 5.261 -7.392 0.571 1.00 0.00 H new ATOM 0 HB ILE A 61 2.376 -7.507 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.317 -5.187 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.159 -6.302 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.947 -5.713 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.400 -7.242 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.588 -5.924 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.718 -4.318 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.726 -5.785 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.887 -4.653 -0.366 1.00 0.00 H new ATOM 894 N GLN A 62 4.932 -8.476 2.727 1.00 0.00 N ATOM 895 CA GLN A 62 4.891 -9.210 3.980 1.00 0.00 C ATOM 896 C GLN A 62 4.630 -8.255 5.147 1.00 0.00 C ATOM 897 O GLN A 62 4.018 -7.203 4.967 1.00 0.00 O ATOM 898 CB GLN A 62 6.183 -10.000 4.198 1.00 0.00 C ATOM 899 CG GLN A 62 7.347 -9.066 4.531 1.00 0.00 C ATOM 900 CD GLN A 62 8.161 -9.604 5.710 1.00 0.00 C ATOM 901 OE1 GLN A 62 7.774 -10.543 6.387 1.00 0.00 O ATOM 902 NE2 GLN A 62 9.306 -8.961 5.916 1.00 0.00 N ATOM 0 H GLN A 62 5.549 -7.664 2.729 1.00 0.00 H new ATOM 0 HA GLN A 62 4.071 -9.926 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.043 -10.716 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.418 -10.574 3.302 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.992 -8.957 3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.965 -8.074 4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.570 -8.183 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.921 -9.246 6.678 1.00 0.00 H new ATOM 909 N LYS A 63 5.107 -8.655 6.316 1.00 0.00 N ATOM 910 CA LYS A 63 4.934 -7.848 7.511 1.00 0.00 C ATOM 911 C LYS A 63 6.029 -6.781 7.565 1.00 0.00 C ATOM 912 O LYS A 63 7.120 -6.978 7.030 1.00 0.00 O ATOM 913 CB LYS A 63 4.879 -8.737 8.755 1.00 0.00 C ATOM 914 CG LYS A 63 6.222 -9.431 8.992 1.00 0.00 C ATOM 915 CD LYS A 63 6.019 -10.885 9.422 1.00 0.00 C ATOM 916 CE LYS A 63 5.578 -10.968 10.884 1.00 0.00 C ATOM 917 NZ LYS A 63 5.633 -12.367 11.364 1.00 0.00 N ATOM 0 H LYS A 63 5.614 -9.528 6.461 1.00 0.00 H new ATOM 0 HA LYS A 63 3.979 -7.323 7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.618 -8.135 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.095 -9.485 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.819 -9.397 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.782 -8.896 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.270 -11.355 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.947 -11.441 9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.222 -10.340 11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.564 -10.582 10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.330 -12.405 12.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.000 -12.957 10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.607 -12.723 11.285 1.00 0.00 H new ATOM 927 N GLU A 64 5.702 -5.674 8.215 1.00 0.00 N ATOM 928 CA GLU A 64 6.644 -4.576 8.345 1.00 0.00 C ATOM 929 C GLU A 64 7.099 -4.100 6.964 1.00 0.00 C ATOM 930 O GLU A 64 8.265 -3.757 6.774 1.00 0.00 O ATOM 931 CB GLU A 64 7.842 -4.981 9.207 1.00 0.00 C ATOM 932 CG GLU A 64 7.436 -5.126 10.675 1.00 0.00 C ATOM 933 CD GLU A 64 8.619 -4.836 11.602 1.00 0.00 C ATOM 934 OE1 GLU A 64 9.181 -3.726 11.474 1.00 0.00 O ATOM 935 OE2 GLU A 64 8.934 -5.729 12.417 1.00 0.00 O ATOM 0 H GLU A 64 4.797 -5.514 8.658 1.00 0.00 H new ATOM 0 HA GLU A 64 6.141 -3.749 8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.253 -5.923 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.630 -4.233 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.618 -4.442 10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.066 -6.135 10.856 1.00 0.00 H new ATOM 940 N SER A 65 6.154 -4.095 6.034 1.00 0.00 N ATOM 941 CA SER A 65 6.443 -3.667 4.677 1.00 0.00 C ATOM 942 C SER A 65 5.980 -2.223 4.473 1.00 0.00 C ATOM 943 O SER A 65 4.788 -1.966 4.312 1.00 0.00 O ATOM 944 CB SER A 65 5.773 -4.587 3.654 1.00 0.00 C ATOM 945 OG SER A 65 5.857 -5.959 4.035 1.00 0.00 O ATOM 0 H SER A 65 5.188 -4.381 6.195 1.00 0.00 H new ATOM 0 HA SER A 65 7.521 -3.722 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.726 -4.305 3.543 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.244 -4.451 2.681 1.00 0.00 H new ATOM 0 HG SER A 65 5.175 -6.153 4.712 1.00 0.00 H new ATOM 950 N THR A 66 6.948 -1.318 4.488 1.00 0.00 N ATOM 951 CA THR A 66 6.655 0.094 4.306 1.00 0.00 C ATOM 952 C THR A 66 6.434 0.407 2.826 1.00 0.00 C ATOM 953 O THR A 66 7.266 0.071 1.985 1.00 0.00 O ATOM 954 CB THR A 66 7.794 0.898 4.934 1.00 0.00 C ATOM 955 OG1 THR A 66 7.868 0.412 6.272 1.00 0.00 O ATOM 956 CG2 THR A 66 7.448 2.379 5.095 1.00 0.00 C ATOM 0 H THR A 66 7.935 -1.535 4.623 1.00 0.00 H new ATOM 0 HA THR A 66 5.727 0.373 4.806 1.00 0.00 H new ATOM 0 HB THR A 66 8.688 0.799 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.583 0.880 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.291 2.903 5.545 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.233 2.811 4.118 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.573 2.481 5.737 1.00 0.00 H new ATOM 964 N LEU A 67 5.307 1.049 2.551 1.00 0.00 N ATOM 965 CA LEU A 67 4.967 1.411 1.185 1.00 0.00 C ATOM 966 C LEU A 67 5.501 2.814 0.886 1.00 0.00 C ATOM 967 O LEU A 67 6.208 3.401 1.705 1.00 0.00 O ATOM 968 CB LEU A 67 3.462 1.265 0.953 1.00 0.00 C ATOM 969 CG LEU A 67 2.904 -0.156 1.047 1.00 0.00 C ATOM 970 CD1 LEU A 67 2.779 -0.789 -0.340 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.744 -1.013 1.995 1.00 0.00 C ATOM 0 H LEU A 67 4.619 1.327 3.250 1.00 0.00 H new ATOM 0 HA LEU A 67 5.444 0.730 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.940 1.888 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.226 1.662 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 67 1.900 -0.102 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.380 -1.799 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.107 -0.190 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.761 -0.830 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.326 -2.018 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.769 -1.064 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.737 -0.568 2.990 1.00 0.00 H new ATOM 982 N HIS A 68 5.145 3.310 -0.289 1.00 0.00 N ATOM 983 CA HIS A 68 5.580 4.632 -0.707 1.00 0.00 C ATOM 984 C HIS A 68 4.388 5.412 -1.263 1.00 0.00 C ATOM 985 O HIS A 68 3.884 5.099 -2.340 1.00 0.00 O ATOM 986 CB HIS A 68 6.740 4.533 -1.700 1.00 0.00 C ATOM 987 CG HIS A 68 8.046 4.103 -1.077 1.00 0.00 C ATOM 988 ND1 HIS A 68 9.221 4.819 -1.228 1.00 0.00 N ATOM 989 CD2 HIS A 68 8.351 3.024 -0.300 1.00 0.00 C ATOM 990 CE1 HIS A 68 10.182 4.190 -0.568 1.00 0.00 C ATOM 991 NE2 HIS A 68 9.641 3.077 0.005 1.00 0.00 N ATOM 0 H HIS A 68 4.560 2.820 -0.966 1.00 0.00 H new ATOM 0 HA HIS A 68 5.961 5.183 0.153 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.473 3.825 -2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.879 5.502 -2.178 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.659 2.256 0.014 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.213 4.504 -0.496 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.145 2.397 0.574 1.00 0.00 H new ATOM 998 N LEU A 69 3.971 6.415 -0.503 1.00 0.00 N ATOM 999 CA LEU A 69 2.847 7.243 -0.906 1.00 0.00 C ATOM 1000 C LEU A 69 3.368 8.467 -1.663 1.00 0.00 C ATOM 1001 O LEU A 69 4.098 9.284 -1.104 1.00 0.00 O ATOM 1002 CB LEU A 69 1.978 7.592 0.303 1.00 0.00 C ATOM 1003 CG LEU A 69 1.106 8.842 0.164 1.00 0.00 C ATOM 1004 CD1 LEU A 69 0.252 8.777 -1.104 1.00 0.00 C ATOM 1005 CD2 LEU A 69 0.256 9.060 1.417 1.00 0.00 C ATOM 0 H LEU A 69 4.392 6.673 0.390 1.00 0.00 H new ATOM 0 HA LEU A 69 2.197 6.697 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.329 6.743 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.629 7.721 1.168 1.00 0.00 H new ATOM 0 HG LEU A 69 1.762 9.707 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.358 9.677 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.901 8.705 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.396 7.902 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.354 9.955 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.392 8.197 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.908 9.183 2.282 1.00 0.00 H new ATOM 1016 N VAL A 70 2.971 8.555 -2.925 1.00 0.00 N ATOM 1017 CA VAL A 70 3.389 9.665 -3.765 1.00 0.00 C ATOM 1018 C VAL A 70 2.150 10.380 -4.310 1.00 0.00 C ATOM 1019 O VAL A 70 1.023 9.970 -4.039 1.00 0.00 O ATOM 1020 CB VAL A 70 4.323 9.164 -4.868 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.661 8.703 -4.285 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.665 8.047 -5.679 1.00 0.00 C ATOM 0 H VAL A 70 2.365 7.876 -3.385 1.00 0.00 H new ATOM 0 HA VAL A 70 3.956 10.392 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 70 4.520 9.996 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.307 8.352 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.141 9.537 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.489 7.892 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.351 7.709 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.424 7.213 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.751 8.422 -6.139 1.00 0.00 H new ATOM 1032 N LEU A 71 2.402 11.437 -5.066 1.00 0.00 N ATOM 1033 CA LEU A 71 1.322 12.214 -5.651 1.00 0.00 C ATOM 1034 C LEU A 71 1.015 11.677 -7.051 1.00 0.00 C ATOM 1035 O LEU A 71 1.512 10.621 -7.439 1.00 0.00 O ATOM 1036 CB LEU A 71 1.660 13.706 -5.625 1.00 0.00 C ATOM 1037 CG LEU A 71 0.591 14.624 -5.030 1.00 0.00 C ATOM 1038 CD1 LEU A 71 0.222 14.188 -3.610 1.00 0.00 C ATOM 1039 CD2 LEU A 71 1.035 16.087 -5.082 1.00 0.00 C ATOM 0 H LEU A 71 3.339 11.775 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 71 0.412 12.107 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.582 13.840 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.863 14.031 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.310 14.538 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.540 14.857 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.165 13.169 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.108 14.227 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.257 16.719 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.956 16.208 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.208 16.378 -6.118 1.00 0.00 H new ATOM 1050 N ARG A 72 0.195 12.429 -7.771 1.00 0.00 N ATOM 1051 CA ARG A 72 -0.185 12.042 -9.119 1.00 0.00 C ATOM 1052 C ARG A 72 -0.099 13.245 -10.060 1.00 0.00 C ATOM 1053 O ARG A 72 -0.030 14.387 -9.610 1.00 0.00 O ATOM 1054 CB ARG A 72 -1.608 11.479 -9.150 1.00 0.00 C ATOM 1055 CG ARG A 72 -1.629 10.074 -9.753 1.00 0.00 C ATOM 1056 CD ARG A 72 -2.759 9.236 -9.151 1.00 0.00 C ATOM 1057 NE ARG A 72 -4.006 9.442 -9.921 1.00 0.00 N ATOM 1058 CZ ARG A 72 -4.199 9.001 -11.170 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -3.228 8.327 -11.801 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -5.364 9.234 -11.791 1.00 0.00 N ATOM 0 H ARG A 72 -0.217 13.304 -7.446 1.00 0.00 H new ATOM 0 HA ARG A 72 0.507 11.267 -9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.014 11.451 -8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.251 12.138 -9.733 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.756 10.140 -10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.672 9.583 -9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.486 8.181 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.915 9.515 -8.109 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.766 9.952 -9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.341 8.150 -11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.376 7.991 -12.753 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.104 9.747 -11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.511 8.898 -12.743 1.00 0.00 H new ATOM 1071 N LEU A 73 -0.105 12.947 -11.352 1.00 0.00 N ATOM 1072 CA LEU A 73 -0.028 13.990 -12.361 1.00 0.00 C ATOM 1073 C LEU A 73 -1.315 14.816 -12.333 1.00 0.00 C ATOM 1074 O LEU A 73 -2.168 14.614 -11.471 1.00 0.00 O ATOM 1075 CB LEU A 73 0.287 13.387 -13.732 1.00 0.00 C ATOM 1076 CG LEU A 73 -0.649 12.272 -14.205 1.00 0.00 C ATOM 1077 CD1 LEU A 73 -0.075 10.894 -13.866 1.00 0.00 C ATOM 1078 CD2 LEU A 73 -2.058 12.461 -13.638 1.00 0.00 C ATOM 0 H LEU A 73 -0.162 11.998 -11.723 1.00 0.00 H new ATOM 0 HA LEU A 73 0.794 14.672 -12.142 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.269 14.187 -14.472 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.304 12.996 -13.710 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.728 12.330 -15.291 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.759 10.120 -14.213 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.891 10.771 -14.357 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.053 10.809 -12.787 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.703 11.655 -13.990 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.017 12.444 -12.549 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.459 13.418 -13.971 1.00 0.00 H new ATOM 1089 N ARG A 74 -1.414 15.729 -13.288 1.00 0.00 N ATOM 1090 CA ARG A 74 -2.584 16.588 -13.384 1.00 0.00 C ATOM 1091 C ARG A 74 -3.857 15.779 -13.128 1.00 0.00 C ATOM 1092 O ARG A 74 -4.152 14.831 -13.854 1.00 0.00 O ATOM 1093 CB ARG A 74 -2.673 17.244 -14.763 1.00 0.00 C ATOM 1094 CG ARG A 74 -2.734 16.189 -15.869 1.00 0.00 C ATOM 1095 CD ARG A 74 -1.651 16.434 -16.921 1.00 0.00 C ATOM 1096 NE ARG A 74 -2.216 16.272 -18.279 1.00 0.00 N ATOM 1097 CZ ARG A 74 -1.481 16.209 -19.397 1.00 0.00 C ATOM 1098 NH1 ARG A 74 -0.145 16.293 -19.325 1.00 0.00 N ATOM 1099 NH2 ARG A 74 -2.080 16.060 -20.585 1.00 0.00 N ATOM 0 H ARG A 74 -0.704 15.893 -14.002 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.487 17.368 -12.629 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.558 17.878 -14.811 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.809 17.890 -14.919 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.608 15.196 -15.437 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.716 16.209 -16.342 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.242 17.438 -16.806 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.827 15.735 -16.776 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.230 16.204 -18.369 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.311 16.405 -18.419 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.416 16.245 -20.176 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.096 15.994 -20.639 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.520 16.012 -21.436 1.00 0.00 H new ATOM 1110 N GLY A 75 -4.578 16.184 -12.093 1.00 0.00 N ATOM 1111 CA GLY A 75 -5.813 15.509 -11.731 1.00 0.00 C ATOM 1112 C GLY A 75 -6.907 16.520 -11.379 1.00 0.00 C ATOM 1113 O GLY A 75 -7.546 16.409 -10.333 1.00 0.00 O ATOM 0 H GLY A 75 -4.331 16.971 -11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.145 14.882 -12.558 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.636 14.849 -10.882 1.00 0.00 H new ATOM 1117 N GLY A 76 -7.089 17.482 -12.271 1.00 0.00 N ATOM 1118 CA GLY A 76 -8.094 18.511 -12.067 1.00 0.00 C ATOM 1119 C GLY A 76 -8.322 19.317 -13.348 1.00 0.00 C ATOM 1120 O GLY A 76 -9.434 19.355 -13.872 1.00 0.00 O ATOM 0 H GLY A 76 -6.557 17.571 -13.137 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.031 18.052 -11.750 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.779 19.178 -11.265 1.00 0.00 H new TER 1124 GLY A 76