USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 6 LYS NZ :NH3+ -123:sc= -0.959 (180deg=-0.198) USER MOD Set 1.2: A 26 HIS :FLIP no HE2:sc= -2.16! C(o=-6.2!,f=-3.1!) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0457 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.156 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 151:sc= -1 (180deg=-1.85!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 22 THR OG1 : rot -79:sc= 1.06 USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= 1.29 (180deg=1.07) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= -0.0302 (180deg=-0.164) USER MOD Single : A 36 SER OG : rot 79:sc= 1.31 USER MOD Single : A 42 HIS : no HD1:sc= 1.12 K(o=1.1,f=-5.2!) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0482) USER MOD Single : A 48 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.25) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -2.44 F(o=-5.7!,f=-2.4) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.202 -25.598 -9.606 1.00 0.00 N ATOM 2 CA GLY A 1 18.597 -25.948 -9.290 1.00 0.00 C ATOM 3 C GLY A 1 19.000 -25.431 -7.930 1.00 0.00 C ATOM 4 O GLY A 1 18.146 -25.312 -7.049 1.00 0.00 O ATOM 0 H1 GLY A 1 16.690 -26.451 -9.908 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.744 -25.200 -8.761 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.186 -24.895 -10.372 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.718 -27.031 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.259 -25.533 -10.050 1.00 0.00 H new ATOM 10 N PRO A 2 20.299 -25.096 -7.733 1.00 0.00 N ATOM 11 CA PRO A 2 20.828 -24.632 -6.432 1.00 0.00 C ATOM 12 C PRO A 2 20.064 -23.430 -5.889 1.00 0.00 C ATOM 13 O PRO A 2 19.792 -23.344 -4.691 1.00 0.00 O ATOM 14 CB PRO A 2 22.272 -24.235 -6.765 1.00 0.00 C ATOM 15 CG PRO A 2 22.616 -25.083 -7.940 1.00 0.00 C ATOM 16 CD PRO A 2 21.362 -25.150 -8.760 1.00 0.00 C ATOM 0 HA PRO A 2 20.742 -25.397 -5.660 1.00 0.00 H new ATOM 0 HB2 PRO A 2 22.350 -23.174 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 2 22.942 -24.424 -5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 2 23.437 -24.649 -8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.935 -26.077 -7.628 1.00 0.00 H new ATOM 0 HD2 PRO A 2 21.291 -24.318 -9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.311 -26.066 -9.348 1.00 0.00 H new ATOM 24 N LEU A 3 19.717 -22.516 -6.768 1.00 0.00 N ATOM 25 CA LEU A 3 18.920 -21.374 -6.399 1.00 0.00 C ATOM 26 C LEU A 3 17.647 -21.352 -7.215 1.00 0.00 C ATOM 27 O LEU A 3 17.643 -21.751 -8.380 1.00 0.00 O ATOM 28 CB LEU A 3 19.688 -20.062 -6.623 1.00 0.00 C ATOM 29 CG LEU A 3 20.974 -19.867 -5.817 1.00 0.00 C ATOM 30 CD1 LEU A 3 21.645 -18.561 -6.206 1.00 0.00 C ATOM 31 CD2 LEU A 3 20.671 -19.879 -4.325 1.00 0.00 C ATOM 0 H LEU A 3 19.979 -22.546 -7.753 1.00 0.00 H new ATOM 0 HA LEU A 3 18.682 -21.459 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.937 -19.991 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.017 -19.233 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 3 21.653 -20.690 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 3 22.559 -18.434 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 3 21.890 -18.580 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 3 20.969 -17.730 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 3 21.596 -19.739 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 3 19.978 -19.072 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 3 20.223 -20.834 -4.052 1.00 0.00 H new ATOM 43 N GLY A 4 16.567 -20.904 -6.601 1.00 0.00 N ATOM 44 CA GLY A 4 15.337 -20.679 -7.330 1.00 0.00 C ATOM 45 C GLY A 4 15.398 -19.345 -8.043 1.00 0.00 C ATOM 46 O GLY A 4 14.563 -18.474 -7.830 1.00 0.00 O ATOM 0 H GLY A 4 16.518 -20.690 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.180 -21.480 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.489 -20.697 -6.645 1.00 0.00 H new ATOM 50 N SER A 5 16.408 -19.199 -8.873 1.00 0.00 N ATOM 51 CA SER A 5 16.723 -17.961 -9.532 1.00 0.00 C ATOM 52 C SER A 5 15.738 -17.642 -10.652 1.00 0.00 C ATOM 53 O SER A 5 15.083 -18.538 -11.209 1.00 0.00 O ATOM 54 CB SER A 5 18.155 -18.038 -10.047 1.00 0.00 C ATOM 55 OG SER A 5 18.368 -19.253 -10.753 1.00 0.00 O ATOM 0 H SER A 5 17.045 -19.959 -9.110 1.00 0.00 H new ATOM 0 HA SER A 5 16.636 -17.143 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.358 -17.190 -10.702 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.852 -17.970 -9.212 1.00 0.00 H new ATOM 0 HG SER A 5 19.292 -19.285 -11.078 1.00 0.00 H new ATOM 61 N LYS A 6 15.658 -16.373 -10.996 1.00 0.00 N ATOM 62 CA LYS A 6 14.680 -15.883 -11.937 1.00 0.00 C ATOM 63 C LYS A 6 15.194 -16.006 -13.382 1.00 0.00 C ATOM 64 O LYS A 6 15.426 -15.013 -14.075 1.00 0.00 O ATOM 65 CB LYS A 6 14.316 -14.437 -11.583 1.00 0.00 C ATOM 66 CG LYS A 6 13.165 -13.849 -12.378 1.00 0.00 C ATOM 67 CD LYS A 6 12.851 -12.444 -11.914 1.00 0.00 C ATOM 68 CE LYS A 6 11.706 -11.839 -12.706 1.00 0.00 C ATOM 69 NZ LYS A 6 10.445 -12.593 -12.528 1.00 0.00 N ATOM 0 H LYS A 6 16.275 -15.650 -10.626 1.00 0.00 H new ATOM 0 HA LYS A 6 13.779 -16.493 -11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.066 -14.391 -10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.196 -13.811 -11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.418 -13.838 -13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.282 -14.479 -12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.594 -12.458 -10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.738 -11.819 -12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.557 -10.805 -12.394 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.969 -11.818 -13.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.093 -12.905 -13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.619 -13.424 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.736 -11.981 -12.076 1.00 0.00 H new ATOM 83 N TYR A 7 15.406 -17.238 -13.801 1.00 0.00 N ATOM 84 CA TYR A 7 15.760 -17.557 -15.179 1.00 0.00 C ATOM 85 C TYR A 7 14.641 -18.349 -15.818 1.00 0.00 C ATOM 86 O TYR A 7 14.806 -18.952 -16.871 1.00 0.00 O ATOM 87 CB TYR A 7 17.070 -18.347 -15.257 1.00 0.00 C ATOM 88 CG TYR A 7 18.292 -17.592 -14.792 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.940 -16.689 -15.627 1.00 0.00 C ATOM 90 CD2 TYR A 7 18.803 -17.790 -13.527 1.00 0.00 C ATOM 91 CE1 TYR A 7 20.066 -16.009 -15.202 1.00 0.00 C ATOM 92 CE2 TYR A 7 19.922 -17.116 -13.095 1.00 0.00 C ATOM 93 CZ TYR A 7 20.550 -16.229 -13.930 1.00 0.00 C ATOM 94 OH TYR A 7 21.678 -15.559 -13.492 1.00 0.00 O ATOM 0 H TYR A 7 15.338 -18.055 -13.194 1.00 0.00 H new ATOM 0 HA TYR A 7 15.905 -16.620 -15.717 1.00 0.00 H new ATOM 0 HB2 TYR A 7 16.969 -19.252 -14.657 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.226 -18.664 -16.288 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.558 -16.516 -16.622 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.316 -18.488 -12.862 1.00 0.00 H new ATOM 0 HE1 TYR A 7 20.562 -15.312 -15.861 1.00 0.00 H new ATOM 0 HE2 TYR A 7 20.305 -17.286 -12.099 1.00 0.00 H new ATOM 0 HH TYR A 7 21.883 -15.829 -12.572 1.00 0.00 H new ATOM 104 N GLU A 8 13.510 -18.364 -15.163 1.00 0.00 N ATOM 105 CA GLU A 8 12.382 -19.095 -15.656 1.00 0.00 C ATOM 106 C GLU A 8 11.342 -18.149 -16.221 1.00 0.00 C ATOM 107 O GLU A 8 10.796 -17.307 -15.500 1.00 0.00 O ATOM 108 CB GLU A 8 11.786 -19.964 -14.553 1.00 0.00 C ATOM 109 CG GLU A 8 10.625 -20.835 -15.000 1.00 0.00 C ATOM 110 CD GLU A 8 10.122 -21.714 -13.890 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.403 -21.210 -13.009 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.455 -22.922 -13.879 1.00 0.00 O ATOM 0 H GLU A 8 13.349 -17.874 -14.283 1.00 0.00 H new ATOM 0 HA GLU A 8 12.717 -19.750 -16.460 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.570 -20.604 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.449 -19.319 -13.741 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.813 -20.202 -15.357 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.939 -21.455 -15.840 1.00 0.00 H new ATOM 119 N CYS A 9 11.098 -18.275 -17.510 1.00 0.00 N ATOM 120 CA CYS A 9 10.045 -17.553 -18.183 1.00 0.00 C ATOM 121 C CYS A 9 8.706 -18.154 -17.766 1.00 0.00 C ATOM 122 O CYS A 9 8.381 -19.273 -18.152 1.00 0.00 O ATOM 123 CB CYS A 9 10.258 -17.679 -19.696 1.00 0.00 C ATOM 124 SG CYS A 9 8.945 -16.995 -20.763 1.00 0.00 S ATOM 0 H CYS A 9 11.633 -18.889 -18.124 1.00 0.00 H new ATOM 0 HA CYS A 9 10.055 -16.496 -17.915 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.196 -17.186 -19.951 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.378 -18.735 -19.937 1.00 0.00 H new ATOM 129 N PRO A 10 7.921 -17.427 -16.959 1.00 0.00 N ATOM 130 CA PRO A 10 6.704 -17.963 -16.336 1.00 0.00 C ATOM 131 C PRO A 10 5.598 -18.281 -17.338 1.00 0.00 C ATOM 132 O PRO A 10 4.681 -19.037 -17.038 1.00 0.00 O ATOM 133 CB PRO A 10 6.275 -16.843 -15.386 1.00 0.00 C ATOM 134 CG PRO A 10 6.838 -15.611 -15.997 1.00 0.00 C ATOM 135 CD PRO A 10 8.148 -16.017 -16.594 1.00 0.00 C ATOM 0 HA PRO A 10 6.893 -18.916 -15.843 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.190 -16.786 -15.302 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.664 -17.003 -14.381 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.168 -15.210 -16.758 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.974 -14.830 -15.249 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.401 -15.410 -17.464 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.967 -15.911 -15.882 1.00 0.00 H new ATOM 143 N ILE A 11 5.686 -17.701 -18.526 1.00 0.00 N ATOM 144 CA ILE A 11 4.709 -17.949 -19.573 1.00 0.00 C ATOM 145 C ILE A 11 4.773 -19.406 -20.057 1.00 0.00 C ATOM 146 O ILE A 11 3.744 -20.061 -20.244 1.00 0.00 O ATOM 147 CB ILE A 11 4.864 -16.949 -20.748 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.495 -15.535 -20.268 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.997 -17.355 -21.940 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.788 -14.440 -21.268 1.00 0.00 C ATOM 0 H ILE A 11 6.428 -17.052 -18.789 1.00 0.00 H new ATOM 0 HA ILE A 11 3.720 -17.788 -19.145 1.00 0.00 H new ATOM 0 HB ILE A 11 5.902 -16.959 -21.080 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.433 -15.513 -20.024 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.038 -15.324 -19.347 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.128 -16.634 -22.747 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.294 -18.345 -22.286 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.950 -17.376 -21.638 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.498 -13.477 -20.848 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.854 -14.430 -21.495 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.224 -14.622 -22.183 1.00 0.00 H new ATOM 162 N CYS A 12 5.978 -19.910 -20.249 1.00 0.00 N ATOM 163 CA CYS A 12 6.158 -21.287 -20.679 1.00 0.00 C ATOM 164 C CYS A 12 6.492 -22.192 -19.495 1.00 0.00 C ATOM 165 O CYS A 12 6.226 -23.400 -19.522 1.00 0.00 O ATOM 166 CB CYS A 12 7.259 -21.370 -21.732 1.00 0.00 C ATOM 167 SG CYS A 12 8.846 -20.627 -21.224 1.00 0.00 S ATOM 0 H CYS A 12 6.845 -19.390 -20.115 1.00 0.00 H new ATOM 0 HA CYS A 12 5.221 -21.632 -21.116 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.426 -22.417 -21.983 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.914 -20.875 -22.640 1.00 0.00 H new ATOM 172 N LEU A 13 7.065 -21.592 -18.454 1.00 0.00 N ATOM 173 CA LEU A 13 7.527 -22.305 -17.262 1.00 0.00 C ATOM 174 C LEU A 13 8.597 -23.333 -17.613 1.00 0.00 C ATOM 175 O LEU A 13 8.736 -24.364 -16.950 1.00 0.00 O ATOM 176 CB LEU A 13 6.354 -22.958 -16.521 1.00 0.00 C ATOM 177 CG LEU A 13 5.370 -21.995 -15.859 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.138 -22.737 -15.369 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.042 -21.279 -14.697 1.00 0.00 C ATOM 0 H LEU A 13 7.224 -20.585 -18.413 1.00 0.00 H new ATOM 0 HA LEU A 13 7.979 -21.574 -16.592 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.805 -23.582 -17.226 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.756 -23.621 -15.755 1.00 0.00 H new ATOM 0 HG LEU A 13 5.058 -21.259 -16.600 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.451 -22.032 -14.901 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.644 -23.219 -16.213 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.434 -23.493 -14.641 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.332 -20.595 -14.232 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.375 -22.012 -13.962 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.901 -20.717 -15.064 1.00 0.00 H new ATOM 191 N MET A 14 9.355 -23.046 -18.657 1.00 0.00 N ATOM 192 CA MET A 14 10.475 -23.892 -19.029 1.00 0.00 C ATOM 193 C MET A 14 11.776 -23.289 -18.504 1.00 0.00 C ATOM 194 O MET A 14 12.399 -23.822 -17.584 1.00 0.00 O ATOM 195 CB MET A 14 10.567 -24.061 -20.556 1.00 0.00 C ATOM 196 CG MET A 14 9.391 -24.780 -21.194 1.00 0.00 C ATOM 197 SD MET A 14 9.623 -25.066 -22.968 1.00 0.00 S ATOM 198 CE MET A 14 9.584 -23.388 -23.609 1.00 0.00 C ATOM 0 H MET A 14 9.216 -22.236 -19.261 1.00 0.00 H new ATOM 0 HA MET A 14 10.316 -24.875 -18.585 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.661 -23.075 -21.011 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.480 -24.609 -20.792 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.240 -25.736 -20.693 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.485 -24.193 -21.040 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.191 -23.329 -24.512 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.556 -23.112 -23.844 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.981 -22.703 -22.860 1.00 0.00 H new ATOM 208 N ALA A 15 12.142 -22.152 -19.086 1.00 0.00 N ATOM 209 CA ALA A 15 13.379 -21.434 -18.810 1.00 0.00 C ATOM 210 C ALA A 15 13.417 -20.249 -19.754 1.00 0.00 C ATOM 211 O ALA A 15 12.383 -19.900 -20.320 1.00 0.00 O ATOM 212 CB ALA A 15 14.587 -22.333 -19.059 1.00 0.00 C ATOM 0 H ALA A 15 11.564 -21.689 -19.788 1.00 0.00 H new ATOM 0 HA ALA A 15 13.414 -21.114 -17.769 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.502 -21.780 -18.848 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.532 -23.205 -18.408 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.591 -22.657 -20.100 1.00 0.00 H new ATOM 218 N LEU A 16 14.574 -19.642 -19.937 1.00 0.00 N ATOM 219 CA LEU A 16 14.703 -18.572 -20.906 1.00 0.00 C ATOM 220 C LEU A 16 15.340 -19.129 -22.159 1.00 0.00 C ATOM 221 O LEU A 16 16.420 -19.726 -22.096 1.00 0.00 O ATOM 222 CB LEU A 16 15.610 -17.465 -20.362 1.00 0.00 C ATOM 223 CG LEU A 16 15.208 -16.833 -19.035 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.196 -15.747 -18.639 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.800 -16.286 -19.101 1.00 0.00 C ATOM 0 H LEU A 16 15.431 -19.869 -19.432 1.00 0.00 H new ATOM 0 HA LEU A 16 13.715 -18.162 -21.115 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.615 -17.873 -20.253 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.667 -16.675 -21.111 1.00 0.00 H new ATOM 0 HG LEU A 16 15.229 -17.608 -18.269 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.892 -15.308 -17.689 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.191 -16.180 -18.537 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.214 -14.974 -19.407 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.537 -15.840 -18.142 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.741 -15.528 -19.882 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.106 -17.095 -19.327 1.00 0.00 H new ATOM 237 N ARG A 17 14.691 -18.969 -23.293 1.00 0.00 N ATOM 238 CA ARG A 17 15.298 -19.426 -24.523 1.00 0.00 C ATOM 239 C ARG A 17 16.169 -18.320 -25.117 1.00 0.00 C ATOM 240 O ARG A 17 17.396 -18.401 -25.056 1.00 0.00 O ATOM 241 CB ARG A 17 14.259 -19.936 -25.520 1.00 0.00 C ATOM 242 CG ARG A 17 14.877 -20.739 -26.662 1.00 0.00 C ATOM 243 CD ARG A 17 13.824 -21.293 -27.602 1.00 0.00 C ATOM 244 NE ARG A 17 13.149 -20.247 -28.364 1.00 0.00 N ATOM 245 CZ ARG A 17 12.123 -20.446 -29.191 1.00 0.00 C ATOM 246 NH1 ARG A 17 11.576 -21.654 -29.308 1.00 0.00 N ATOM 247 NH2 ARG A 17 11.643 -19.428 -29.883 1.00 0.00 N ATOM 0 H ARG A 17 13.771 -18.539 -23.389 1.00 0.00 H new ATOM 0 HA ARG A 17 15.938 -20.278 -24.293 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.534 -20.558 -24.995 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.712 -19.088 -25.933 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.564 -20.104 -27.221 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.464 -21.560 -26.251 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.291 -21.996 -28.291 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.086 -21.853 -27.027 1.00 0.00 H new ATOM 0 HE ARG A 17 13.488 -19.291 -28.255 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.942 -22.435 -28.763 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.791 -21.799 -29.943 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.057 -18.502 -29.781 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.858 -19.569 -30.519 1.00 0.00 H new ATOM 261 N GLU A 18 15.554 -17.278 -25.659 1.00 0.00 N ATOM 262 CA GLU A 18 16.321 -16.156 -26.186 1.00 0.00 C ATOM 263 C GLU A 18 16.746 -15.211 -25.076 1.00 0.00 C ATOM 264 O GLU A 18 17.641 -14.398 -25.257 1.00 0.00 O ATOM 265 CB GLU A 18 15.551 -15.386 -27.260 1.00 0.00 C ATOM 266 CG GLU A 18 15.229 -16.196 -28.495 1.00 0.00 C ATOM 267 CD GLU A 18 13.981 -17.044 -28.346 1.00 0.00 C ATOM 268 OE1 GLU A 18 13.376 -17.063 -27.254 1.00 0.00 O ATOM 269 OE2 GLU A 18 13.582 -17.676 -29.344 1.00 0.00 O ATOM 0 H GLU A 18 14.542 -17.185 -25.745 1.00 0.00 H new ATOM 0 HA GLU A 18 17.212 -16.579 -26.650 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.620 -15.017 -26.829 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.135 -14.513 -27.554 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.102 -15.521 -29.341 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.075 -16.843 -28.727 1.00 0.00 H new ATOM 276 N ALA A 19 16.097 -15.361 -23.922 1.00 0.00 N ATOM 277 CA ALA A 19 16.339 -14.522 -22.749 1.00 0.00 C ATOM 278 C ALA A 19 16.217 -13.040 -23.083 1.00 0.00 C ATOM 279 O ALA A 19 17.222 -12.336 -23.254 1.00 0.00 O ATOM 280 CB ALA A 19 17.687 -14.831 -22.098 1.00 0.00 C ATOM 0 H ALA A 19 15.383 -16.074 -23.774 1.00 0.00 H new ATOM 0 HA ALA A 19 15.563 -14.762 -22.023 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.828 -14.186 -21.230 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.708 -15.874 -21.782 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.487 -14.653 -22.816 1.00 0.00 H new ATOM 286 N VAL A 20 15.003 -12.572 -23.194 1.00 0.00 N ATOM 287 CA VAL A 20 14.766 -11.179 -23.462 1.00 0.00 C ATOM 288 C VAL A 20 14.357 -10.461 -22.176 1.00 0.00 C ATOM 289 O VAL A 20 13.329 -10.768 -21.563 1.00 0.00 O ATOM 290 CB VAL A 20 13.729 -10.954 -24.612 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.274 -11.499 -25.931 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.385 -11.610 -24.305 1.00 0.00 C ATOM 0 H VAL A 20 14.159 -13.138 -23.103 1.00 0.00 H new ATOM 0 HA VAL A 20 15.700 -10.746 -23.819 1.00 0.00 H new ATOM 0 HB VAL A 20 13.568 -9.879 -24.696 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.542 -11.336 -26.722 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.201 -10.984 -26.182 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.468 -12.567 -25.831 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.695 -11.429 -25.129 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.525 -12.683 -24.178 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.974 -11.186 -23.388 1.00 0.00 H new ATOM 302 N GLN A 21 15.211 -9.560 -21.733 1.00 0.00 N ATOM 303 CA GLN A 21 14.990 -8.819 -20.515 1.00 0.00 C ATOM 304 C GLN A 21 14.037 -7.654 -20.752 1.00 0.00 C ATOM 305 O GLN A 21 14.140 -6.939 -21.750 1.00 0.00 O ATOM 306 CB GLN A 21 16.333 -8.342 -19.945 1.00 0.00 C ATOM 307 CG GLN A 21 16.265 -7.694 -18.576 1.00 0.00 C ATOM 308 CD GLN A 21 17.636 -7.281 -18.081 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.367 -8.081 -17.492 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.000 -6.042 -18.320 1.00 0.00 N ATOM 0 H GLN A 21 16.080 -9.323 -22.212 1.00 0.00 H new ATOM 0 HA GLN A 21 14.520 -9.474 -19.782 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.009 -9.195 -19.891 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.773 -7.630 -20.644 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.616 -6.820 -18.619 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.816 -8.389 -17.866 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.367 -5.410 -18.810 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.916 -5.712 -18.015 1.00 0.00 H new ATOM 319 N THR A 22 13.108 -7.488 -19.848 1.00 0.00 N ATOM 320 CA THR A 22 12.137 -6.418 -19.896 1.00 0.00 C ATOM 321 C THR A 22 12.585 -5.295 -18.953 1.00 0.00 C ATOM 322 O THR A 22 13.309 -5.558 -17.978 1.00 0.00 O ATOM 323 CB THR A 22 10.750 -6.946 -19.456 1.00 0.00 C ATOM 324 OG1 THR A 22 10.853 -7.491 -18.140 1.00 0.00 O ATOM 325 CG2 THR A 22 10.273 -8.042 -20.401 1.00 0.00 C ATOM 0 H THR A 22 13.000 -8.102 -19.041 1.00 0.00 H new ATOM 0 HA THR A 22 12.063 -6.037 -20.915 1.00 0.00 H new ATOM 0 HB THR A 22 10.038 -6.121 -19.475 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.242 -8.389 -18.187 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.296 -8.402 -20.077 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.195 -7.642 -21.412 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.986 -8.867 -20.391 1.00 0.00 H new ATOM 333 N PRO A 23 12.169 -4.039 -19.208 1.00 0.00 N ATOM 334 CA PRO A 23 12.608 -2.875 -18.411 1.00 0.00 C ATOM 335 C PRO A 23 12.169 -2.948 -16.948 1.00 0.00 C ATOM 336 O PRO A 23 12.800 -2.355 -16.071 1.00 0.00 O ATOM 337 CB PRO A 23 11.947 -1.686 -19.113 1.00 0.00 C ATOM 338 CG PRO A 23 10.791 -2.278 -19.839 1.00 0.00 C ATOM 339 CD PRO A 23 11.242 -3.636 -20.285 1.00 0.00 C ATOM 0 HA PRO A 23 13.695 -2.812 -18.367 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.622 -0.932 -18.396 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.638 -1.196 -19.799 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.917 -2.349 -19.191 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.507 -1.661 -20.691 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.406 -4.329 -20.381 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.739 -3.600 -21.255 1.00 0.00 H new ATOM 347 N CYS A 24 11.099 -3.684 -16.684 1.00 0.00 N ATOM 348 CA CYS A 24 10.613 -3.845 -15.330 1.00 0.00 C ATOM 349 C CYS A 24 11.478 -4.823 -14.531 1.00 0.00 C ATOM 350 O CYS A 24 11.395 -4.874 -13.305 1.00 0.00 O ATOM 351 CB CYS A 24 9.135 -4.239 -15.319 1.00 0.00 C ATOM 352 SG CYS A 24 8.647 -5.394 -16.638 1.00 0.00 S ATOM 0 H CYS A 24 10.554 -4.177 -17.392 1.00 0.00 H new ATOM 0 HA CYS A 24 10.693 -2.879 -14.831 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.900 -4.690 -14.355 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.531 -3.335 -15.404 1.00 0.00 H new ATOM 357 N GLY A 25 12.304 -5.595 -15.230 1.00 0.00 N ATOM 358 CA GLY A 25 13.229 -6.489 -14.556 1.00 0.00 C ATOM 359 C GLY A 25 12.847 -7.951 -14.659 1.00 0.00 C ATOM 360 O GLY A 25 13.247 -8.764 -13.825 1.00 0.00 O ATOM 0 H GLY A 25 12.350 -5.618 -16.249 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.225 -6.352 -14.978 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.287 -6.211 -13.504 1.00 0.00 H new ATOM 364 N HIS A 26 12.078 -8.297 -15.671 1.00 0.00 N ATOM 365 CA HIS A 26 11.680 -9.691 -15.872 1.00 0.00 C ATOM 366 C HIS A 26 12.333 -10.204 -17.129 1.00 0.00 C ATOM 367 O HIS A 26 12.677 -9.420 -18.009 1.00 0.00 O ATOM 368 CB HIS A 26 10.169 -9.829 -16.031 1.00 0.00 C ATOM 369 CG HIS A 26 9.372 -9.199 -14.952 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.761 -8.010 -14.922 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 9.128 -9.790 -13.736 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 8.157 -7.881 -13.712 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 8.392 -8.976 -13.003 1.00 0.00 N flip ATOM 0 H HIS A 26 11.715 -7.645 -16.366 1.00 0.00 H new ATOM 0 HA HIS A 26 11.991 -10.261 -14.997 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.876 -9.389 -16.984 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.918 -10.889 -16.078 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.750 -7.322 -15.675 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.481 -10.763 -13.429 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.581 -7.029 -13.383 1.00 0.00 H new ATOM 380 N ARG A 27 12.509 -11.490 -17.223 1.00 0.00 N ATOM 381 CA ARG A 27 13.096 -12.074 -18.405 1.00 0.00 C ATOM 382 C ARG A 27 12.187 -13.160 -18.959 1.00 0.00 C ATOM 383 O ARG A 27 11.619 -13.953 -18.197 1.00 0.00 O ATOM 384 CB ARG A 27 14.509 -12.583 -18.096 1.00 0.00 C ATOM 385 CG ARG A 27 15.467 -11.444 -17.746 1.00 0.00 C ATOM 386 CD ARG A 27 16.849 -11.916 -17.344 1.00 0.00 C ATOM 387 NE ARG A 27 16.838 -12.648 -16.077 1.00 0.00 N ATOM 388 CZ ARG A 27 17.927 -12.958 -15.370 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.131 -12.548 -15.773 1.00 0.00 N ATOM 390 NH2 ARG A 27 17.814 -13.669 -14.260 1.00 0.00 N ATOM 0 H ARG A 27 12.256 -12.160 -16.497 1.00 0.00 H new ATOM 0 HA ARG A 27 13.194 -11.315 -19.181 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.466 -13.288 -17.266 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.894 -13.128 -18.958 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.555 -10.778 -18.604 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.041 -10.859 -16.931 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.254 -12.556 -18.128 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.514 -11.056 -17.259 1.00 0.00 H new ATOM 0 HE ARG A 27 15.934 -12.942 -15.708 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.223 -11.995 -16.625 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.960 -12.788 -15.229 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.895 -13.980 -13.945 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.646 -13.906 -13.719 1.00 0.00 H new ATOM 404 N PHE A 28 12.037 -13.173 -20.273 1.00 0.00 N ATOM 405 CA PHE A 28 11.129 -14.091 -20.967 1.00 0.00 C ATOM 406 C PHE A 28 11.796 -14.604 -22.244 1.00 0.00 C ATOM 407 O PHE A 28 12.923 -14.211 -22.562 1.00 0.00 O ATOM 408 CB PHE A 28 9.823 -13.371 -21.367 1.00 0.00 C ATOM 409 CG PHE A 28 8.986 -12.816 -20.237 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.016 -13.596 -19.621 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.155 -11.510 -19.811 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.234 -13.078 -18.602 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.379 -10.990 -18.790 1.00 0.00 C ATOM 414 CZ PHE A 28 7.417 -11.773 -18.186 1.00 0.00 C ATOM 0 H PHE A 28 12.542 -12.545 -20.899 1.00 0.00 H new ATOM 0 HA PHE A 28 10.901 -14.915 -20.291 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.077 -12.551 -22.038 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.209 -14.069 -21.936 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.870 -14.617 -19.940 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.902 -10.889 -20.282 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.481 -13.694 -18.133 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.527 -9.970 -18.466 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.809 -11.367 -17.391 1.00 0.00 H new ATOM 424 N CYS A 29 11.127 -15.497 -22.948 1.00 0.00 N ATOM 425 CA CYS A 29 11.561 -15.913 -24.279 1.00 0.00 C ATOM 426 C CYS A 29 10.873 -15.009 -25.312 1.00 0.00 C ATOM 427 O CYS A 29 9.831 -14.405 -25.004 1.00 0.00 O ATOM 428 CB CYS A 29 11.156 -17.360 -24.525 1.00 0.00 C ATOM 429 SG CYS A 29 11.484 -18.467 -23.116 1.00 0.00 S ATOM 0 H CYS A 29 10.275 -15.954 -22.623 1.00 0.00 H new ATOM 0 HA CYS A 29 12.645 -15.831 -24.362 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.093 -17.394 -24.762 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.689 -17.733 -25.399 1.00 0.00 H new ATOM 434 N LYS A 30 11.402 -14.931 -26.537 1.00 0.00 N ATOM 435 CA LYS A 30 10.851 -13.988 -27.535 1.00 0.00 C ATOM 436 C LYS A 30 9.534 -14.524 -28.104 1.00 0.00 C ATOM 437 O LYS A 30 8.833 -13.836 -28.838 1.00 0.00 O ATOM 438 CB LYS A 30 11.806 -13.758 -28.712 1.00 0.00 C ATOM 439 CG LYS A 30 11.811 -14.919 -29.673 1.00 0.00 C ATOM 440 CD LYS A 30 12.653 -14.685 -30.906 1.00 0.00 C ATOM 441 CE LYS A 30 12.600 -15.915 -31.799 1.00 0.00 C ATOM 442 NZ LYS A 30 13.329 -15.745 -33.070 1.00 0.00 N ATOM 0 H LYS A 30 12.190 -15.490 -26.863 1.00 0.00 H new ATOM 0 HA LYS A 30 10.698 -13.044 -27.011 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.516 -12.851 -29.242 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.815 -13.597 -28.333 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.179 -15.805 -29.156 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.786 -15.130 -29.979 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.288 -13.813 -31.448 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.684 -14.474 -30.621 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.017 -16.765 -31.260 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.559 -16.154 -32.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.710 -16.663 -33.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.680 -15.379 -33.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.111 -15.073 -32.934 1.00 0.00 H new ATOM 456 N ALA A 31 9.193 -15.739 -27.751 1.00 0.00 N ATOM 457 CA ALA A 31 8.019 -16.369 -28.321 1.00 0.00 C ATOM 458 C ALA A 31 6.981 -16.538 -27.251 1.00 0.00 C ATOM 459 O ALA A 31 5.876 -17.014 -27.500 1.00 0.00 O ATOM 460 CB ALA A 31 8.388 -17.714 -28.933 1.00 0.00 C ATOM 0 H ALA A 31 9.704 -16.310 -27.078 1.00 0.00 H new ATOM 0 HA ALA A 31 7.614 -15.739 -29.113 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.497 -18.177 -29.358 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.129 -17.565 -29.718 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.802 -18.363 -28.162 1.00 0.00 H new ATOM 466 N CYS A 32 7.342 -16.113 -26.058 1.00 0.00 N ATOM 467 CA CYS A 32 6.445 -16.120 -24.949 1.00 0.00 C ATOM 468 C CYS A 32 5.899 -14.711 -24.695 1.00 0.00 C ATOM 469 O CYS A 32 4.712 -14.467 -24.856 1.00 0.00 O ATOM 470 CB CYS A 32 7.151 -16.680 -23.719 1.00 0.00 C ATOM 471 SG CYS A 32 7.933 -18.313 -23.991 1.00 0.00 S ATOM 0 H CYS A 32 8.272 -15.754 -25.842 1.00 0.00 H new ATOM 0 HA CYS A 32 5.595 -16.764 -25.174 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.914 -15.972 -23.397 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.430 -16.764 -22.906 1.00 0.00 H new ATOM 476 N ILE A 33 6.781 -13.772 -24.329 1.00 0.00 N ATOM 477 CA ILE A 33 6.337 -12.409 -24.001 1.00 0.00 C ATOM 478 C ILE A 33 5.791 -11.668 -25.232 1.00 0.00 C ATOM 479 O ILE A 33 4.753 -11.029 -25.159 1.00 0.00 O ATOM 480 CB ILE A 33 7.439 -11.567 -23.277 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.869 -10.245 -22.737 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.636 -11.297 -24.184 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.803 -10.421 -21.673 1.00 0.00 C ATOM 0 H ILE A 33 7.787 -13.925 -24.253 1.00 0.00 H new ATOM 0 HA ILE A 33 5.516 -12.527 -23.294 1.00 0.00 H new ATOM 0 HB ILE A 33 7.786 -12.163 -22.433 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.685 -9.651 -22.325 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.449 -9.677 -23.567 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.378 -10.710 -23.643 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.079 -12.244 -24.494 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.308 -10.744 -25.064 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.452 -9.443 -21.344 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.967 -10.986 -22.085 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.222 -10.961 -20.824 1.00 0.00 H new ATOM 495 N ILE A 34 6.462 -11.817 -26.370 1.00 0.00 N ATOM 496 CA ILE A 34 6.066 -11.137 -27.602 1.00 0.00 C ATOM 497 C ILE A 34 4.685 -11.597 -28.060 1.00 0.00 C ATOM 498 O ILE A 34 3.829 -10.784 -28.421 1.00 0.00 O ATOM 499 CB ILE A 34 7.128 -11.309 -28.727 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.404 -10.551 -28.356 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.607 -10.877 -30.093 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.561 -10.752 -29.315 1.00 0.00 C ATOM 0 H ILE A 34 7.289 -12.407 -26.466 1.00 0.00 H new ATOM 0 HA ILE A 34 6.007 -10.071 -27.383 1.00 0.00 H new ATOM 0 HB ILE A 34 7.355 -12.372 -28.810 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.175 -9.487 -28.302 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.718 -10.861 -27.359 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.387 -11.018 -30.841 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.738 -11.479 -30.358 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.323 -9.825 -30.058 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.422 -10.177 -28.972 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.823 -11.809 -29.353 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.272 -10.414 -30.310 1.00 0.00 H new ATOM 514 N LYS A 35 4.453 -12.891 -27.984 1.00 0.00 N ATOM 515 CA LYS A 35 3.206 -13.470 -28.448 1.00 0.00 C ATOM 516 C LYS A 35 2.096 -13.278 -27.393 1.00 0.00 C ATOM 517 O LYS A 35 0.939 -13.611 -27.620 1.00 0.00 O ATOM 518 CB LYS A 35 3.423 -14.968 -28.735 1.00 0.00 C ATOM 519 CG LYS A 35 2.206 -15.708 -29.272 1.00 0.00 C ATOM 520 CD LYS A 35 1.810 -15.219 -30.655 1.00 0.00 C ATOM 521 CE LYS A 35 0.525 -15.883 -31.135 1.00 0.00 C ATOM 522 NZ LYS A 35 0.635 -17.362 -31.171 1.00 0.00 N ATOM 0 H LYS A 35 5.115 -13.567 -27.603 1.00 0.00 H new ATOM 0 HA LYS A 35 2.891 -12.967 -29.363 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.236 -15.070 -29.453 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.747 -15.455 -27.815 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.419 -16.776 -29.312 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.369 -15.575 -28.587 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.677 -14.137 -30.635 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.614 -15.428 -31.360 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.296 -15.598 -30.477 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.278 -15.515 -32.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.201 -17.761 -31.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.492 -17.634 -31.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.691 -17.730 -30.200 1.00 0.00 H new ATOM 536 N SER A 36 2.444 -12.708 -26.259 1.00 0.00 N ATOM 537 CA SER A 36 1.457 -12.453 -25.229 1.00 0.00 C ATOM 538 C SER A 36 1.111 -10.971 -25.145 1.00 0.00 C ATOM 539 O SER A 36 0.048 -10.603 -24.647 1.00 0.00 O ATOM 540 CB SER A 36 1.945 -12.968 -23.874 1.00 0.00 C ATOM 541 OG SER A 36 2.180 -14.369 -23.926 1.00 0.00 O ATOM 0 H SER A 36 3.393 -12.414 -26.027 1.00 0.00 H new ATOM 0 HA SER A 36 0.549 -12.993 -25.499 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.862 -12.450 -23.591 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.204 -12.746 -23.106 1.00 0.00 H new ATOM 0 HG SER A 36 3.041 -14.540 -24.361 1.00 0.00 H new ATOM 547 N ILE A 37 1.965 -10.121 -25.697 1.00 0.00 N ATOM 548 CA ILE A 37 1.759 -8.692 -25.564 1.00 0.00 C ATOM 549 C ILE A 37 1.182 -8.098 -26.825 1.00 0.00 C ATOM 550 O ILE A 37 0.705 -6.978 -26.823 1.00 0.00 O ATOM 551 CB ILE A 37 3.062 -7.938 -25.190 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.150 -8.159 -26.249 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.550 -8.336 -23.805 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.427 -7.392 -25.991 1.00 0.00 C ATOM 0 H ILE A 37 2.791 -10.392 -26.231 1.00 0.00 H new ATOM 0 HA ILE A 37 1.047 -8.566 -24.749 1.00 0.00 H new ATOM 0 HB ILE A 37 2.835 -6.872 -25.165 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.382 -9.223 -26.300 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.757 -7.871 -27.224 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.465 -7.791 -23.571 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.785 -8.095 -23.067 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.750 -9.407 -23.784 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.144 -7.603 -26.784 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.212 -6.324 -25.971 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.847 -7.696 -25.032 1.00 0.00 H new ATOM 566 N ARG A 38 1.203 -8.845 -27.904 1.00 0.00 N ATOM 567 CA ARG A 38 0.554 -8.378 -29.112 1.00 0.00 C ATOM 568 C ARG A 38 -0.750 -9.121 -29.322 1.00 0.00 C ATOM 569 O ARG A 38 -1.476 -8.874 -30.278 1.00 0.00 O ATOM 570 CB ARG A 38 1.460 -8.510 -30.334 1.00 0.00 C ATOM 571 CG ARG A 38 1.748 -9.932 -30.764 1.00 0.00 C ATOM 572 CD ARG A 38 2.679 -9.937 -31.950 1.00 0.00 C ATOM 573 NE ARG A 38 2.942 -11.278 -32.466 1.00 0.00 N ATOM 574 CZ ARG A 38 3.992 -11.574 -33.242 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.896 -10.631 -33.527 1.00 0.00 N ATOM 576 NH2 ARG A 38 4.139 -12.796 -33.735 1.00 0.00 N ATOM 0 H ARG A 38 1.651 -9.759 -27.974 1.00 0.00 H new ATOM 0 HA ARG A 38 0.340 -7.316 -28.988 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.000 -7.980 -31.168 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.406 -8.011 -30.122 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.195 -10.486 -29.939 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.817 -10.438 -31.020 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.249 -9.326 -32.744 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.623 -9.472 -31.665 1.00 0.00 H new ATOM 0 HE ARG A 38 2.293 -12.026 -32.223 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.785 -9.688 -33.153 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.697 -10.854 -34.118 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.450 -13.518 -33.524 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.941 -13.015 -34.326 1.00 0.00 H new ATOM 590 N ASP A 39 -1.062 -10.009 -28.399 1.00 0.00 N ATOM 591 CA ASP A 39 -2.244 -10.852 -28.524 1.00 0.00 C ATOM 592 C ASP A 39 -3.240 -10.514 -27.435 1.00 0.00 C ATOM 593 O ASP A 39 -4.401 -10.246 -27.718 1.00 0.00 O ATOM 594 CB ASP A 39 -1.857 -12.335 -28.454 1.00 0.00 C ATOM 595 CG ASP A 39 -3.026 -13.267 -28.706 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.339 -13.532 -29.885 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.634 -13.748 -27.730 1.00 0.00 O ATOM 0 H ASP A 39 -0.516 -10.169 -27.552 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.706 -10.664 -29.493 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.076 -12.535 -29.187 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.435 -12.548 -27.472 1.00 0.00 H new ATOM 602 N ALA A 40 -2.787 -10.502 -26.197 1.00 0.00 N ATOM 603 CA ALA A 40 -3.634 -10.081 -25.093 1.00 0.00 C ATOM 604 C ALA A 40 -3.644 -8.564 -25.013 1.00 0.00 C ATOM 605 O ALA A 40 -4.644 -7.910 -25.322 1.00 0.00 O ATOM 606 CB ALA A 40 -3.135 -10.679 -23.787 1.00 0.00 C ATOM 0 H ALA A 40 -1.842 -10.777 -25.929 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.650 -10.436 -25.264 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.779 -10.355 -22.969 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.153 -11.767 -23.854 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.115 -10.344 -23.600 1.00 0.00 H new ATOM 612 N GLY A 41 -2.523 -8.014 -24.623 1.00 0.00 N ATOM 613 CA GLY A 41 -2.353 -6.593 -24.542 1.00 0.00 C ATOM 614 C GLY A 41 -0.928 -6.302 -24.215 1.00 0.00 C ATOM 615 O GLY A 41 -0.216 -7.200 -23.768 1.00 0.00 O ATOM 0 H GLY A 41 -1.697 -8.548 -24.351 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.627 -6.125 -25.487 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.009 -6.177 -23.778 1.00 0.00 H new ATOM 619 N HIS A 42 -0.492 -5.082 -24.409 1.00 0.00 N ATOM 620 CA HIS A 42 0.905 -4.765 -24.174 1.00 0.00 C ATOM 621 C HIS A 42 1.202 -4.551 -22.704 1.00 0.00 C ATOM 622 O HIS A 42 1.404 -3.426 -22.243 1.00 0.00 O ATOM 623 CB HIS A 42 1.404 -3.601 -25.038 1.00 0.00 C ATOM 624 CG HIS A 42 1.628 -3.973 -26.471 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.648 -3.906 -27.439 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.734 -4.429 -27.099 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.142 -4.305 -28.590 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.404 -4.625 -28.414 1.00 0.00 N ATOM 0 H HIS A 42 -1.068 -4.301 -24.723 1.00 0.00 H new ATOM 0 HA HIS A 42 1.471 -5.641 -24.489 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.680 -2.788 -24.991 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.336 -3.222 -24.619 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.699 -4.606 -26.648 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.601 -4.360 -29.523 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.036 -4.964 -29.139 1.00 0.00 H new ATOM 637 N LYS A 43 1.194 -5.644 -21.971 1.00 0.00 N ATOM 638 CA LYS A 43 1.533 -5.654 -20.574 1.00 0.00 C ATOM 639 C LYS A 43 2.258 -6.950 -20.256 1.00 0.00 C ATOM 640 O LYS A 43 2.023 -7.971 -20.910 1.00 0.00 O ATOM 641 CB LYS A 43 0.272 -5.548 -19.683 1.00 0.00 C ATOM 642 CG LYS A 43 -0.630 -6.789 -19.708 1.00 0.00 C ATOM 643 CD LYS A 43 -1.773 -6.690 -18.705 1.00 0.00 C ATOM 644 CE LYS A 43 -2.877 -5.758 -19.172 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.688 -6.363 -20.257 1.00 0.00 N ATOM 0 H LYS A 43 0.947 -6.562 -22.340 1.00 0.00 H new ATOM 0 HA LYS A 43 2.168 -4.792 -20.367 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.583 -5.361 -18.655 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.311 -4.684 -20.002 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.039 -6.919 -20.710 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.033 -7.674 -19.490 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.189 -7.683 -18.533 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.384 -6.338 -17.750 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.524 -5.510 -18.330 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.439 -4.824 -19.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.519 -5.766 -20.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.113 -6.436 -21.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.001 -7.312 -19.969 1.00 0.00 H new ATOM 659 N CYS A 44 3.138 -6.918 -19.289 1.00 0.00 N ATOM 660 CA CYS A 44 3.714 -8.135 -18.789 1.00 0.00 C ATOM 661 C CYS A 44 2.760 -8.732 -17.754 1.00 0.00 C ATOM 662 O CYS A 44 2.408 -8.079 -16.774 1.00 0.00 O ATOM 663 CB CYS A 44 5.105 -7.861 -18.214 1.00 0.00 C ATOM 664 SG CYS A 44 5.260 -6.246 -17.380 1.00 0.00 S ATOM 0 H CYS A 44 3.469 -6.066 -18.835 1.00 0.00 H new ATOM 0 HA CYS A 44 3.846 -8.860 -19.592 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.355 -8.650 -17.505 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.837 -7.913 -19.020 1.00 0.00 H new ATOM 669 N PRO A 45 2.325 -9.982 -17.959 1.00 0.00 N ATOM 670 CA PRO A 45 1.229 -10.587 -17.176 1.00 0.00 C ATOM 671 C PRO A 45 1.532 -10.729 -15.683 1.00 0.00 C ATOM 672 O PRO A 45 0.612 -10.762 -14.855 1.00 0.00 O ATOM 673 CB PRO A 45 1.051 -11.965 -17.827 1.00 0.00 C ATOM 674 CG PRO A 45 2.365 -12.245 -18.468 1.00 0.00 C ATOM 675 CD PRO A 45 2.855 -10.919 -18.970 1.00 0.00 C ATOM 0 HA PRO A 45 0.338 -9.959 -17.199 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.800 -12.725 -17.087 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.245 -11.957 -18.561 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.066 -12.678 -17.754 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.259 -12.959 -19.284 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.943 -10.883 -19.027 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.476 -10.697 -19.968 1.00 0.00 H new ATOM 683 N VAL A 46 2.803 -10.816 -15.341 1.00 0.00 N ATOM 684 CA VAL A 46 3.209 -11.021 -13.959 1.00 0.00 C ATOM 685 C VAL A 46 3.007 -9.784 -13.062 1.00 0.00 C ATOM 686 O VAL A 46 2.534 -9.907 -11.929 1.00 0.00 O ATOM 687 CB VAL A 46 4.657 -11.562 -13.845 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.737 -12.957 -14.442 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.644 -10.639 -14.546 1.00 0.00 C ATOM 0 H VAL A 46 3.577 -10.748 -16.002 1.00 0.00 H new ATOM 0 HA VAL A 46 2.533 -11.787 -13.579 1.00 0.00 H new ATOM 0 HB VAL A 46 4.923 -11.604 -12.789 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.758 -13.331 -14.358 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.062 -13.622 -13.904 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.449 -12.920 -15.493 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.652 -11.043 -14.450 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.383 -10.562 -15.602 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.605 -9.650 -14.089 1.00 0.00 H new ATOM 699 N ASP A 47 3.353 -8.609 -13.557 1.00 0.00 N ATOM 700 CA ASP A 47 3.249 -7.375 -12.761 1.00 0.00 C ATOM 701 C ASP A 47 2.321 -6.350 -13.401 1.00 0.00 C ATOM 702 O ASP A 47 2.227 -5.229 -12.929 1.00 0.00 O ATOM 703 CB ASP A 47 4.639 -6.752 -12.525 1.00 0.00 C ATOM 704 CG ASP A 47 5.421 -6.513 -13.804 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.445 -7.382 -14.688 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.056 -5.456 -13.952 1.00 0.00 O ATOM 0 H ASP A 47 3.709 -8.472 -14.503 1.00 0.00 H new ATOM 0 HA ASP A 47 2.817 -7.659 -11.801 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.519 -5.805 -11.999 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.216 -7.408 -11.873 1.00 0.00 H new ATOM 711 N ASN A 48 1.650 -6.751 -14.482 1.00 0.00 N ATOM 712 CA ASN A 48 0.639 -5.929 -15.203 1.00 0.00 C ATOM 713 C ASN A 48 1.120 -4.521 -15.569 1.00 0.00 C ATOM 714 O ASN A 48 0.340 -3.557 -15.572 1.00 0.00 O ATOM 715 CB ASN A 48 -0.765 -5.916 -14.529 1.00 0.00 C ATOM 716 CG ASN A 48 -0.797 -5.425 -13.088 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.913 -4.226 -12.823 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.732 -6.347 -12.150 1.00 0.00 N ATOM 0 H ASN A 48 1.786 -7.671 -14.900 1.00 0.00 H new ATOM 0 HA ASN A 48 0.511 -6.453 -16.150 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.428 -5.287 -15.123 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.172 -6.927 -14.559 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.778 -6.079 -11.167 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.636 -7.330 -12.406 1.00 0.00 H new ATOM 725 N GLU A 49 2.383 -4.414 -15.920 1.00 0.00 N ATOM 726 CA GLU A 49 2.952 -3.156 -16.377 1.00 0.00 C ATOM 727 C GLU A 49 2.969 -3.105 -17.885 1.00 0.00 C ATOM 728 O GLU A 49 3.011 -4.141 -18.537 1.00 0.00 O ATOM 729 CB GLU A 49 4.361 -2.948 -15.823 1.00 0.00 C ATOM 730 CG GLU A 49 4.397 -2.639 -14.339 1.00 0.00 C ATOM 731 CD GLU A 49 3.708 -1.331 -14.026 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.125 -0.288 -14.571 1.00 0.00 O ATOM 733 OE2 GLU A 49 2.732 -1.329 -13.253 1.00 0.00 O ATOM 0 H GLU A 49 3.045 -5.190 -15.898 1.00 0.00 H new ATOM 0 HA GLU A 49 2.323 -2.349 -16.002 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.951 -3.845 -16.012 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.838 -2.132 -16.366 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.915 -3.446 -13.787 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.432 -2.596 -14.001 1.00 0.00 H new ATOM 740 N ILE A 50 2.928 -1.905 -18.432 1.00 0.00 N ATOM 741 CA ILE A 50 2.899 -1.723 -19.866 1.00 0.00 C ATOM 742 C ILE A 50 4.217 -2.191 -20.459 1.00 0.00 C ATOM 743 O ILE A 50 5.290 -1.713 -20.080 1.00 0.00 O ATOM 744 CB ILE A 50 2.648 -0.239 -20.247 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.326 0.258 -19.643 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.641 -0.065 -21.762 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.104 -0.511 -20.098 1.00 0.00 C ATOM 0 H ILE A 50 2.914 -1.036 -17.897 1.00 0.00 H new ATOM 0 HA ILE A 50 2.077 -2.314 -20.269 1.00 0.00 H new ATOM 0 HB ILE A 50 3.461 0.360 -19.837 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.393 0.201 -18.557 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.195 1.309 -19.900 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.464 0.982 -22.007 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.604 -0.375 -22.168 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.851 -0.678 -22.195 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.785 -0.095 -19.624 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.008 -0.434 -21.181 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.208 -1.559 -19.817 1.00 0.00 H new ATOM 759 N LEU A 51 4.137 -3.133 -21.361 1.00 0.00 N ATOM 760 CA LEU A 51 5.314 -3.712 -21.938 1.00 0.00 C ATOM 761 C LEU A 51 5.382 -3.291 -23.400 1.00 0.00 C ATOM 762 O LEU A 51 4.492 -3.601 -24.190 1.00 0.00 O ATOM 763 CB LEU A 51 5.237 -5.253 -21.797 1.00 0.00 C ATOM 764 CG LEU A 51 6.548 -6.062 -21.902 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.282 -5.835 -23.215 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.456 -5.756 -20.727 1.00 0.00 C ATOM 0 H LEU A 51 3.259 -3.516 -21.712 1.00 0.00 H new ATOM 0 HA LEU A 51 6.215 -3.369 -21.429 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.784 -5.477 -20.831 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.555 -5.624 -22.562 1.00 0.00 H new ATOM 0 HG LEU A 51 6.268 -7.115 -21.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.195 -6.430 -23.229 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.642 -6.132 -24.046 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.536 -4.779 -23.312 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.375 -6.335 -20.817 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.696 -4.693 -20.720 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.951 -6.020 -19.798 1.00 0.00 H new ATOM 778 N LEU A 52 6.431 -2.578 -23.745 1.00 0.00 N ATOM 779 CA LEU A 52 6.630 -2.113 -25.103 1.00 0.00 C ATOM 780 C LEU A 52 7.585 -3.047 -25.823 1.00 0.00 C ATOM 781 O LEU A 52 8.626 -3.420 -25.268 1.00 0.00 O ATOM 782 CB LEU A 52 7.167 -0.666 -25.133 1.00 0.00 C ATOM 783 CG LEU A 52 6.246 0.465 -24.608 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.897 0.449 -25.305 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.081 0.421 -23.092 1.00 0.00 C ATOM 0 H LEU A 52 7.169 -2.304 -23.096 1.00 0.00 H new ATOM 0 HA LEU A 52 5.666 -2.114 -25.612 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.090 -0.641 -24.554 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.431 -0.430 -26.164 1.00 0.00 H new ATOM 0 HG LEU A 52 6.739 1.407 -24.848 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.276 1.254 -24.914 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.039 0.589 -26.377 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.406 -0.508 -25.126 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.427 1.233 -22.773 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.642 -0.533 -22.801 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.056 0.532 -22.617 1.00 0.00 H new ATOM 797 N GLU A 53 7.243 -3.412 -27.048 1.00 0.00 N ATOM 798 CA GLU A 53 7.985 -4.410 -27.807 1.00 0.00 C ATOM 799 C GLU A 53 9.402 -3.940 -28.125 1.00 0.00 C ATOM 800 O GLU A 53 10.336 -4.736 -28.140 1.00 0.00 O ATOM 801 CB GLU A 53 7.241 -4.766 -29.098 1.00 0.00 C ATOM 802 CG GLU A 53 5.907 -5.460 -28.862 1.00 0.00 C ATOM 803 CD GLU A 53 5.187 -5.825 -30.137 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.853 -5.985 -31.180 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.941 -5.939 -30.109 1.00 0.00 O ATOM 0 H GLU A 53 6.442 -3.025 -27.546 1.00 0.00 H new ATOM 0 HA GLU A 53 8.063 -5.302 -27.185 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.070 -3.855 -29.672 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.874 -5.412 -29.706 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.075 -6.364 -28.277 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.268 -4.809 -28.266 1.00 0.00 H new ATOM 812 N ASN A 54 9.560 -2.652 -28.377 1.00 0.00 N ATOM 813 CA ASN A 54 10.875 -2.091 -28.710 1.00 0.00 C ATOM 814 C ASN A 54 11.856 -2.173 -27.552 1.00 0.00 C ATOM 815 O ASN A 54 13.060 -2.289 -27.765 1.00 0.00 O ATOM 816 CB ASN A 54 10.778 -0.663 -29.251 1.00 0.00 C ATOM 817 CG ASN A 54 10.139 -0.602 -30.623 1.00 0.00 C ATOM 818 OD1 ASN A 54 8.940 -0.345 -30.756 1.00 0.00 O ATOM 819 ND2 ASN A 54 10.917 -0.857 -31.646 1.00 0.00 N ATOM 0 H ASN A 54 8.802 -1.970 -28.360 1.00 0.00 H new ATOM 0 HA ASN A 54 11.270 -2.717 -29.510 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.199 -0.054 -28.557 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.776 -0.228 -29.300 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.535 -0.847 -32.592 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.904 -1.065 -31.496 1.00 0.00 H new ATOM 826 N GLN A 55 11.346 -2.108 -26.328 1.00 0.00 N ATOM 827 CA GLN A 55 12.192 -2.216 -25.140 1.00 0.00 C ATOM 828 C GLN A 55 12.786 -3.610 -24.975 1.00 0.00 C ATOM 829 O GLN A 55 13.766 -3.788 -24.259 1.00 0.00 O ATOM 830 CB GLN A 55 11.489 -1.772 -23.861 1.00 0.00 C ATOM 831 CG GLN A 55 11.226 -0.277 -23.788 1.00 0.00 C ATOM 832 CD GLN A 55 10.597 0.140 -22.477 1.00 0.00 C ATOM 833 OE1 GLN A 55 9.292 0.183 -22.430 1.00 0.00 O flip ATOM 834 NE2 GLN A 55 11.296 0.436 -21.517 1.00 0.00 N flip ATOM 0 H GLN A 55 10.354 -1.981 -26.130 1.00 0.00 H new ATOM 0 HA GLN A 55 13.014 -1.521 -25.310 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.540 -2.302 -23.777 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.095 -2.066 -23.004 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.165 0.260 -23.923 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.571 0.013 -24.610 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.312 0.390 -21.593 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.862 0.729 -20.641 1.00 0.00 H new ATOM 843 N LEU A 56 12.175 -4.594 -25.615 1.00 0.00 N ATOM 844 CA LEU A 56 12.672 -5.956 -25.560 1.00 0.00 C ATOM 845 C LEU A 56 13.991 -6.073 -26.302 1.00 0.00 C ATOM 846 O LEU A 56 14.190 -5.438 -27.345 1.00 0.00 O ATOM 847 CB LEU A 56 11.653 -6.932 -26.164 1.00 0.00 C ATOM 848 CG LEU A 56 10.349 -7.124 -25.392 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.375 -7.958 -26.205 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.624 -7.798 -24.060 1.00 0.00 C ATOM 0 H LEU A 56 11.334 -4.473 -26.179 1.00 0.00 H new ATOM 0 HA LEU A 56 12.829 -6.213 -24.512 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.407 -6.589 -27.169 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.133 -7.905 -26.268 1.00 0.00 H new ATOM 0 HG LEU A 56 9.905 -6.146 -25.208 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.450 -8.087 -25.643 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.160 -7.452 -27.146 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.815 -8.934 -26.410 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.687 -7.930 -23.519 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.083 -8.771 -24.233 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.299 -7.178 -23.471 1.00 0.00 H new ATOM 862 N PHE A 57 14.891 -6.864 -25.746 1.00 0.00 N ATOM 863 CA PHE A 57 16.176 -7.123 -26.366 1.00 0.00 C ATOM 864 C PHE A 57 15.986 -7.848 -27.691 1.00 0.00 C ATOM 865 O PHE A 57 15.134 -8.738 -27.803 1.00 0.00 O ATOM 866 CB PHE A 57 17.078 -7.949 -25.440 1.00 0.00 C ATOM 867 CG PHE A 57 17.688 -7.174 -24.303 1.00 0.00 C ATOM 868 CD1 PHE A 57 16.906 -6.683 -23.277 1.00 0.00 C ATOM 869 CD2 PHE A 57 19.055 -6.948 -24.261 1.00 0.00 C ATOM 870 CE1 PHE A 57 17.470 -5.982 -22.231 1.00 0.00 C ATOM 871 CE2 PHE A 57 19.626 -6.245 -23.219 1.00 0.00 C ATOM 872 CZ PHE A 57 18.832 -5.765 -22.202 1.00 0.00 C ATOM 0 H PHE A 57 14.752 -7.343 -24.856 1.00 0.00 H new ATOM 0 HA PHE A 57 16.661 -6.164 -26.550 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.496 -8.774 -25.029 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.879 -8.389 -26.033 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.839 -6.850 -23.293 1.00 0.00 H new ATOM 0 HD2 PHE A 57 19.682 -7.327 -25.054 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.846 -5.603 -21.435 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.692 -6.072 -23.202 1.00 0.00 H new ATOM 0 HZ PHE A 57 19.275 -5.219 -21.382 1.00 0.00 H new ATOM 882 N PRO A 58 16.760 -7.477 -28.709 1.00 0.00 N ATOM 883 CA PRO A 58 16.657 -8.083 -30.024 1.00 0.00 C ATOM 884 C PRO A 58 17.134 -9.531 -30.032 1.00 0.00 C ATOM 885 O PRO A 58 17.992 -9.929 -29.232 1.00 0.00 O ATOM 886 CB PRO A 58 17.551 -7.199 -30.893 1.00 0.00 C ATOM 887 CG PRO A 58 18.560 -6.666 -29.944 1.00 0.00 C ATOM 888 CD PRO A 58 17.816 -6.446 -28.659 1.00 0.00 C ATOM 0 HA PRO A 58 15.627 -8.132 -30.377 1.00 0.00 H new ATOM 0 HB2 PRO A 58 18.019 -7.770 -31.694 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.983 -6.397 -31.364 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.382 -7.369 -29.808 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.994 -5.736 -30.312 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.463 -6.572 -27.791 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.397 -5.441 -28.601 1.00 0.00 H new ATOM 896 N ASP A 59 16.557 -10.311 -30.912 1.00 0.00 N ATOM 897 CA ASP A 59 16.908 -11.710 -31.071 1.00 0.00 C ATOM 898 C ASP A 59 18.208 -11.835 -31.855 1.00 0.00 C ATOM 899 O ASP A 59 18.306 -11.358 -32.988 1.00 0.00 O ATOM 900 CB ASP A 59 15.783 -12.428 -31.804 1.00 0.00 C ATOM 901 CG ASP A 59 16.039 -13.905 -32.003 1.00 0.00 C ATOM 902 OD1 ASP A 59 16.632 -14.549 -31.122 1.00 0.00 O ATOM 903 OD2 ASP A 59 15.626 -14.437 -33.054 1.00 0.00 O ATOM 0 H ASP A 59 15.823 -9.995 -31.546 1.00 0.00 H new ATOM 0 HA ASP A 59 17.049 -12.164 -30.090 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.856 -12.300 -31.245 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.636 -11.959 -32.777 1.00 0.00 H new ATOM 908 N ASN A 60 19.200 -12.457 -31.255 1.00 0.00 N ATOM 909 CA ASN A 60 20.507 -12.568 -31.879 1.00 0.00 C ATOM 910 C ASN A 60 20.568 -13.778 -32.795 1.00 0.00 C ATOM 911 O ASN A 60 20.542 -14.926 -32.339 1.00 0.00 O ATOM 912 CB ASN A 60 21.621 -12.636 -30.831 1.00 0.00 C ATOM 913 CG ASN A 60 23.011 -12.647 -31.453 1.00 0.00 C ATOM 914 OD1 ASN A 60 23.225 -12.112 -32.544 1.00 0.00 O ATOM 915 ND2 ASN A 60 23.957 -13.248 -30.771 1.00 0.00 N ATOM 0 H ASN A 60 19.130 -12.894 -30.336 1.00 0.00 H new ATOM 0 HA ASN A 60 20.662 -11.671 -32.479 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.535 -11.782 -30.159 1.00 0.00 H new ATOM 0 HB3 ASN A 60 21.491 -13.533 -30.226 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.907 -13.284 -31.140 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.742 -13.679 -29.872 1.00 0.00 H new ATOM 922 N PHE A 61 20.629 -13.512 -34.082 1.00 0.00 N ATOM 923 CA PHE A 61 20.677 -14.549 -35.096 1.00 0.00 C ATOM 924 C PHE A 61 22.061 -15.143 -35.241 1.00 0.00 C ATOM 925 O PHE A 61 23.074 -14.462 -35.044 1.00 0.00 O ATOM 926 CB PHE A 61 20.190 -14.024 -36.446 1.00 0.00 C ATOM 927 CG PHE A 61 18.716 -13.785 -36.495 1.00 0.00 C ATOM 928 CD1 PHE A 61 17.851 -14.821 -36.800 1.00 0.00 C ATOM 929 CD2 PHE A 61 18.192 -12.537 -36.227 1.00 0.00 C ATOM 930 CE1 PHE A 61 16.492 -14.614 -36.843 1.00 0.00 C ATOM 931 CE2 PHE A 61 16.830 -12.321 -36.264 1.00 0.00 C ATOM 932 CZ PHE A 61 15.981 -13.359 -36.571 1.00 0.00 C ATOM 0 H PHE A 61 20.647 -12.564 -34.459 1.00 0.00 H new ATOM 0 HA PHE A 61 20.007 -15.341 -34.762 1.00 0.00 H new ATOM 0 HB2 PHE A 61 20.709 -13.093 -36.674 1.00 0.00 H new ATOM 0 HB3 PHE A 61 20.461 -14.738 -37.224 1.00 0.00 H new ATOM 0 HD1 PHE A 61 18.248 -15.804 -37.007 1.00 0.00 H new ATOM 0 HD2 PHE A 61 18.856 -11.720 -35.986 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.827 -15.429 -37.088 1.00 0.00 H new ATOM 0 HE2 PHE A 61 16.431 -11.340 -36.053 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.914 -13.193 -36.599 1.00 0.00 H new ATOM 942 N ALA A 62 22.092 -16.415 -35.564 1.00 0.00 N ATOM 943 CA ALA A 62 23.313 -17.131 -35.820 1.00 0.00 C ATOM 944 C ALA A 62 23.152 -17.900 -37.120 1.00 0.00 C ATOM 945 O ALA A 62 22.032 -18.145 -37.560 1.00 0.00 O ATOM 946 CB ALA A 62 23.628 -18.076 -34.667 1.00 0.00 C ATOM 0 H ALA A 62 21.253 -16.988 -35.657 1.00 0.00 H new ATOM 0 HA ALA A 62 24.145 -16.432 -35.908 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.555 -18.610 -34.877 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.740 -17.503 -33.747 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.815 -18.793 -34.551 1.00 0.00 H new ATOM 952 N LYS A 63 24.247 -18.246 -37.743 1.00 0.00 N ATOM 953 CA LYS A 63 24.195 -18.959 -39.001 1.00 0.00 C ATOM 954 C LYS A 63 23.861 -20.417 -38.736 1.00 0.00 C ATOM 955 O LYS A 63 22.704 -20.820 -38.958 1.00 0.00 O ATOM 956 CB LYS A 63 25.531 -18.849 -39.722 1.00 0.00 C ATOM 957 CG LYS A 63 25.538 -19.405 -41.134 1.00 0.00 C ATOM 958 CD LYS A 63 26.923 -19.297 -41.752 1.00 0.00 C ATOM 959 CE LYS A 63 27.372 -17.852 -41.878 1.00 0.00 C ATOM 960 NZ LYS A 63 28.743 -17.739 -42.433 1.00 0.00 N ATOM 961 OXT LYS A 63 24.758 -21.158 -38.260 1.00 0.00 O ATOM 0 H LYS A 63 25.188 -18.048 -37.404 1.00 0.00 H new ATOM 0 HA LYS A 63 23.424 -18.520 -39.635 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.823 -17.800 -39.758 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.288 -19.371 -39.137 1.00 0.00 H new ATOM 0 HG2 LYS A 63 25.222 -20.448 -41.120 1.00 0.00 H new ATOM 0 HG3 LYS A 63 24.818 -18.862 -41.747 1.00 0.00 H new ATOM 0 HD2 LYS A 63 27.638 -19.848 -41.141 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.919 -19.764 -42.737 1.00 0.00 H new ATOM 0 HE2 LYS A 63 26.676 -17.311 -42.520 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.338 -17.376 -40.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.008 -16.736 -42.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.412 -18.232 -41.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.771 -18.170 -43.379 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.362 -18.773 -22.337 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.673 -6.224 -15.651 1.00 0.00 ZN