USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 135:sc= 0.0635 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.186 K(o=0.19,f=-1.3) USER MOD Single : A 23 MET CE :methyl -115:sc=-0.000543 (180deg=-0.0887) USER MOD Single : A 24 TYR OH : rot 35:sc= 1.23 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0227 K(o=-0.023,f=-3.1!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.514 K(o=-0.51,f=-0.013) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 141:sc= 1.27 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.466 18.914 8.799 1.00 0.00 N ATOM 2 CA VAL A 1 4.061 19.349 8.964 1.00 0.00 C ATOM 3 C VAL A 1 3.129 18.418 8.268 1.00 0.00 C ATOM 4 O VAL A 1 3.499 17.816 7.261 1.00 0.00 O ATOM 5 CB VAL A 1 3.882 20.784 8.564 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.960 20.992 7.041 1.00 0.00 C ATOM 7 CG2 VAL A 1 2.559 21.354 9.102 1.00 0.00 C ATOM 0 H1 VAL A 1 6.058 19.735 8.560 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.805 18.490 9.686 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.524 18.211 8.035 1.00 0.00 H new ATOM 0 HA VAL A 1 3.805 19.302 10.022 1.00 0.00 H new ATOM 0 HB VAL A 1 4.714 21.327 9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.824 22.049 6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.934 20.664 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.177 20.410 6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.460 22.395 8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.725 20.777 8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 1 2.553 21.295 10.190 1.00 0.00 H new ATOM 19 N VAL A 2 1.896 18.217 8.768 1.00 0.00 N ATOM 20 CA VAL A 2 0.883 17.465 8.096 1.00 0.00 C ATOM 21 C VAL A 2 -0.314 18.348 8.002 1.00 0.00 C ATOM 22 O VAL A 2 -0.853 18.771 9.023 1.00 0.00 O ATOM 23 CB VAL A 2 0.501 16.197 8.799 1.00 0.00 C ATOM 24 CG1 VAL A 2 -0.584 15.437 8.017 1.00 0.00 C ATOM 25 CG2 VAL A 2 1.736 15.292 8.949 1.00 0.00 C ATOM 0 H VAL A 2 1.595 18.590 9.668 1.00 0.00 H new ATOM 0 HA VAL A 2 1.271 17.162 7.123 1.00 0.00 H new ATOM 0 HB VAL A 2 0.108 16.461 9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.842 14.522 8.549 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.471 16.064 7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.209 15.186 7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.453 14.372 9.460 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.133 15.052 7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.499 15.810 9.530 1.00 0.00 H new ATOM 35 N SER A 3 -0.780 18.682 6.785 1.00 0.00 N ATOM 36 CA SER A 3 -2.053 19.310 6.616 1.00 0.00 C ATOM 37 C SER A 3 -2.840 18.595 5.571 1.00 0.00 C ATOM 38 O SER A 3 -3.973 18.190 5.819 1.00 0.00 O ATOM 39 CB SER A 3 -1.930 20.813 6.316 1.00 0.00 C ATOM 40 OG SER A 3 -3.193 21.455 6.206 1.00 0.00 O ATOM 0 H SER A 3 -0.273 18.516 5.916 1.00 0.00 H new ATOM 0 HA SER A 3 -2.591 19.239 7.561 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.352 21.291 7.107 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.375 20.950 5.388 1.00 0.00 H new ATOM 0 HG SER A 3 -3.060 22.407 6.017 1.00 0.00 H new ATOM 46 N HIS A 4 -2.284 18.379 4.366 1.00 0.00 N ATOM 47 CA HIS A 4 -2.910 17.569 3.367 1.00 0.00 C ATOM 48 C HIS A 4 -2.028 16.475 2.871 1.00 0.00 C ATOM 49 O HIS A 4 -0.801 16.537 2.931 1.00 0.00 O ATOM 50 CB HIS A 4 -3.444 18.392 2.182 1.00 0.00 C ATOM 51 CG HIS A 4 -4.594 19.258 2.605 1.00 0.00 C ATOM 52 ND1 HIS A 4 -4.458 20.581 2.933 1.00 0.00 N ATOM 53 CD2 HIS A 4 -5.893 18.933 2.844 1.00 0.00 C ATOM 54 CE1 HIS A 4 -5.622 21.053 3.339 1.00 0.00 C ATOM 55 NE2 HIS A 4 -6.504 20.072 3.297 1.00 0.00 N ATOM 0 H HIS A 4 -1.387 18.772 4.080 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.761 17.111 3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.646 19.014 1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.763 17.722 1.383 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.353 17.966 2.704 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.819 22.068 3.652 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.486 20.150 3.561 1.00 0.00 H new ATOM 64 N PHE A 5 -2.669 15.402 2.375 1.00 0.00 N ATOM 65 CA PHE A 5 -2.023 14.283 1.761 1.00 0.00 C ATOM 66 C PHE A 5 -2.681 13.964 0.463 1.00 0.00 C ATOM 67 O PHE A 5 -3.819 14.352 0.200 1.00 0.00 O ATOM 68 CB PHE A 5 -1.912 13.073 2.702 1.00 0.00 C ATOM 69 CG PHE A 5 -3.240 12.579 3.164 1.00 0.00 C ATOM 70 CD1 PHE A 5 -3.887 13.169 4.225 1.00 0.00 C ATOM 71 CD2 PHE A 5 -3.828 11.512 2.526 1.00 0.00 C ATOM 72 CE1 PHE A 5 -5.117 12.710 4.635 1.00 0.00 C ATOM 73 CE2 PHE A 5 -5.047 11.035 2.947 1.00 0.00 C ATOM 74 CZ PHE A 5 -5.697 11.639 3.997 1.00 0.00 C ATOM 0 H PHE A 5 -3.684 15.310 2.403 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.990 14.559 1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.387 12.267 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.309 13.346 3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.426 13.999 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.329 11.046 1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.627 13.190 5.457 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.494 10.185 2.452 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.661 11.273 4.320 1.00 0.00 H new ATOM 84 N ASN A 6 -1.982 13.233 -0.425 1.00 0.00 N ATOM 85 CA ASN A 6 -2.515 12.805 -1.680 1.00 0.00 C ATOM 86 C ASN A 6 -2.061 11.399 -1.870 1.00 0.00 C ATOM 87 O ASN A 6 -0.919 11.153 -2.257 1.00 0.00 O ATOM 88 CB ASN A 6 -2.002 13.672 -2.842 1.00 0.00 C ATOM 89 CG ASN A 6 -2.676 15.037 -2.851 1.00 0.00 C ATOM 90 OD1 ASN A 6 -2.191 16.027 -2.305 1.00 0.00 O ATOM 91 ND2 ASN A 6 -3.849 15.110 -3.536 1.00 0.00 N ATOM 0 H ASN A 6 -1.021 12.932 -0.265 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.602 12.892 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.923 13.797 -2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.190 13.165 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.345 15.999 -3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.233 14.276 -3.981 1.00 0.00 H new ATOM 98 N ASP A 7 -2.927 10.412 -1.577 1.00 0.00 N ATOM 99 CA ASP A 7 -2.548 9.034 -1.526 1.00 0.00 C ATOM 100 C ASP A 7 -3.324 8.167 -2.457 1.00 0.00 C ATOM 101 O ASP A 7 -3.992 8.658 -3.366 1.00 0.00 O ATOM 102 CB ASP A 7 -2.476 8.546 -0.069 1.00 0.00 C ATOM 103 CG ASP A 7 -3.786 8.436 0.696 1.00 0.00 C ATOM 104 OD1 ASP A 7 -4.887 8.733 0.162 1.00 0.00 O ATOM 105 OD2 ASP A 7 -3.714 8.025 1.885 1.00 0.00 O ATOM 0 H ASP A 7 -3.913 10.575 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.535 8.946 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.000 7.566 -0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.820 9.221 0.481 1.00 0.00 H new ATOM 110 N CYS A 8 -3.203 6.837 -2.305 1.00 0.00 N ATOM 111 CA CYS A 8 -3.699 5.822 -3.183 1.00 0.00 C ATOM 112 C CYS A 8 -5.135 5.966 -3.551 1.00 0.00 C ATOM 113 O CYS A 8 -5.979 5.781 -2.675 1.00 0.00 O ATOM 114 CB CYS A 8 -3.452 4.427 -2.585 1.00 0.00 C ATOM 115 SG CYS A 8 -1.886 3.667 -3.104 1.00 0.00 S ATOM 0 H CYS A 8 -2.718 6.439 -1.501 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.139 5.946 -4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.465 4.502 -1.498 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.274 3.770 -2.869 1.00 0.00 H new ATOM 120 N PRO A 9 -5.516 6.311 -4.745 1.00 0.00 N ATOM 121 CA PRO A 9 -6.779 6.942 -4.991 1.00 0.00 C ATOM 122 C PRO A 9 -7.923 5.998 -5.140 1.00 0.00 C ATOM 123 O PRO A 9 -7.729 4.784 -5.161 1.00 0.00 O ATOM 124 CB PRO A 9 -6.550 7.703 -6.295 1.00 0.00 C ATOM 125 CG PRO A 9 -5.553 6.820 -7.062 1.00 0.00 C ATOM 126 CD PRO A 9 -4.646 6.359 -5.911 1.00 0.00 C ATOM 0 HA PRO A 9 -7.065 7.565 -4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.479 7.834 -6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.145 8.698 -6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.040 5.985 -7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.006 7.377 -7.823 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.210 5.382 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.818 7.052 -5.758 1.00 0.00 H new ATOM 134 N LEU A 10 -9.142 6.551 -5.264 1.00 0.00 N ATOM 135 CA LEU A 10 -10.360 5.844 -5.517 1.00 0.00 C ATOM 136 C LEU A 10 -10.441 5.284 -6.895 1.00 0.00 C ATOM 137 O LEU A 10 -11.010 4.219 -7.128 1.00 0.00 O ATOM 138 CB LEU A 10 -11.581 6.760 -5.333 1.00 0.00 C ATOM 139 CG LEU A 10 -11.673 7.503 -3.990 1.00 0.00 C ATOM 140 CD1 LEU A 10 -12.985 8.304 -3.926 1.00 0.00 C ATOM 141 CD2 LEU A 10 -11.569 6.568 -2.773 1.00 0.00 C ATOM 0 H LEU A 10 -9.286 7.557 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.363 5.026 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.579 7.499 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.482 6.159 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.817 8.176 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.045 8.828 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.009 9.028 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.832 7.624 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.641 7.154 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.380 5.840 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.612 6.046 -2.796 1.00 0.00 H new ATOM 153 N SER A 11 -9.868 6.002 -7.877 1.00 0.00 N ATOM 154 CA SER A 11 -9.689 5.598 -9.238 1.00 0.00 C ATOM 155 C SER A 11 -8.650 4.536 -9.362 1.00 0.00 C ATOM 156 O SER A 11 -8.013 4.170 -8.375 1.00 0.00 O ATOM 157 CB SER A 11 -9.324 6.794 -10.133 1.00 0.00 C ATOM 158 OG SER A 11 -10.397 7.725 -10.139 1.00 0.00 O ATOM 0 H SER A 11 -9.501 6.938 -7.705 1.00 0.00 H new ATOM 0 HA SER A 11 -10.641 5.189 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.415 7.272 -9.767 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.118 6.453 -11.148 1.00 0.00 H new ATOM 0 HG SER A 11 -10.165 8.488 -10.708 1.00 0.00 H new ATOM 164 N HIS A 12 -8.462 3.931 -10.548 1.00 0.00 N ATOM 165 CA HIS A 12 -7.622 2.786 -10.712 1.00 0.00 C ATOM 166 C HIS A 12 -6.194 2.949 -10.321 1.00 0.00 C ATOM 167 O HIS A 12 -5.624 4.040 -10.316 1.00 0.00 O ATOM 168 CB HIS A 12 -7.646 2.218 -12.142 1.00 0.00 C ATOM 169 CG HIS A 12 -8.961 1.635 -12.567 1.00 0.00 C ATOM 170 ND1 HIS A 12 -9.069 0.977 -13.763 1.00 0.00 N ATOM 171 CD2 HIS A 12 -10.171 1.528 -11.954 1.00 0.00 C ATOM 172 CE1 HIS A 12 -10.287 0.481 -13.881 1.00 0.00 C ATOM 173 NE2 HIS A 12 -10.970 0.803 -12.798 1.00 0.00 N ATOM 0 H HIS A 12 -8.904 4.244 -11.412 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.077 2.093 -10.005 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.375 3.012 -12.838 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.880 1.447 -12.224 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.447 1.934 -10.992 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.660 -0.090 -14.719 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.942 0.551 -12.618 1.00 0.00 H new ATOM 182 N ASP A 13 -5.566 1.820 -9.948 1.00 0.00 N ATOM 183 CA ASP A 13 -4.315 1.716 -9.265 1.00 0.00 C ATOM 184 C ASP A 13 -3.114 2.124 -10.048 1.00 0.00 C ATOM 185 O ASP A 13 -3.072 2.039 -11.275 1.00 0.00 O ATOM 186 CB ASP A 13 -4.198 0.325 -8.620 1.00 0.00 C ATOM 187 CG ASP A 13 -4.542 -0.838 -9.540 1.00 0.00 C ATOM 188 OD1 ASP A 13 -5.670 -0.897 -10.097 1.00 0.00 O ATOM 189 OD2 ASP A 13 -3.703 -1.771 -9.656 1.00 0.00 O ATOM 0 H ASP A 13 -5.969 0.903 -10.142 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.324 2.469 -8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.179 0.193 -8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.854 0.287 -7.750 1.00 0.00 H new ATOM 194 N GLY A 14 -2.107 2.662 -9.338 1.00 0.00 N ATOM 195 CA GLY A 14 -0.976 3.324 -9.910 1.00 0.00 C ATOM 196 C GLY A 14 0.328 2.710 -9.537 1.00 0.00 C ATOM 197 O GLY A 14 0.858 1.859 -10.250 1.00 0.00 O ATOM 0 H GLY A 14 -2.080 2.634 -8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.073 3.318 -10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.979 4.368 -9.595 1.00 0.00 H new ATOM 201 N TYR A 15 0.910 3.137 -8.402 1.00 0.00 N ATOM 202 CA TYR A 15 2.170 2.651 -7.932 1.00 0.00 C ATOM 203 C TYR A 15 1.986 1.486 -7.020 1.00 0.00 C ATOM 204 O TYR A 15 2.585 0.436 -7.240 1.00 0.00 O ATOM 205 CB TYR A 15 2.972 3.764 -7.236 1.00 0.00 C ATOM 206 CG TYR A 15 4.298 3.306 -6.735 1.00 0.00 C ATOM 207 CD1 TYR A 15 5.120 2.565 -7.551 1.00 0.00 C ATOM 208 CD2 TYR A 15 4.675 3.525 -5.430 1.00 0.00 C ATOM 209 CE1 TYR A 15 6.266 1.991 -7.053 1.00 0.00 C ATOM 210 CE2 TYR A 15 5.844 2.993 -4.939 1.00 0.00 C ATOM 211 CZ TYR A 15 6.638 2.215 -5.748 1.00 0.00 C ATOM 212 OH TYR A 15 7.830 1.641 -5.256 1.00 0.00 O ATOM 0 H TYR A 15 0.492 3.841 -7.794 1.00 0.00 H new ATOM 0 HA TYR A 15 2.740 2.318 -8.800 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.119 4.588 -7.934 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.390 4.154 -6.401 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.863 2.433 -8.592 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.046 4.121 -4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.875 1.364 -7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.138 3.186 -3.918 1.00 0.00 H new ATOM 0 HH TYR A 15 7.952 1.895 -4.317 1.00 0.00 H new ATOM 222 N CYS A 16 1.122 1.596 -5.996 1.00 0.00 N ATOM 223 CA CYS A 16 0.839 0.491 -5.133 1.00 0.00 C ATOM 224 C CYS A 16 -0.459 -0.134 -5.513 1.00 0.00 C ATOM 225 O CYS A 16 -1.468 0.523 -5.765 1.00 0.00 O ATOM 226 CB CYS A 16 0.871 0.812 -3.629 1.00 0.00 C ATOM 227 SG CYS A 16 2.572 0.914 -3.000 1.00 0.00 S ATOM 0 H CYS A 16 0.618 2.452 -5.765 1.00 0.00 H new ATOM 0 HA CYS A 16 1.657 -0.213 -5.283 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.359 1.757 -3.448 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.326 0.043 -3.081 1.00 0.00 H new ATOM 232 N LEU A 17 -0.441 -1.478 -5.572 1.00 0.00 N ATOM 233 CA LEU A 17 -1.471 -2.317 -6.102 1.00 0.00 C ATOM 234 C LEU A 17 -1.540 -3.564 -5.291 1.00 0.00 C ATOM 235 O LEU A 17 -0.706 -3.810 -4.421 1.00 0.00 O ATOM 236 CB LEU A 17 -1.206 -2.654 -7.580 1.00 0.00 C ATOM 237 CG LEU A 17 0.206 -3.167 -7.904 1.00 0.00 C ATOM 238 CD1 LEU A 17 0.175 -4.493 -8.682 1.00 0.00 C ATOM 239 CD2 LEU A 17 1.009 -2.110 -8.682 1.00 0.00 C ATOM 0 H LEU A 17 0.352 -2.016 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.423 -1.788 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.928 -3.407 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.394 -1.761 -8.176 1.00 0.00 H new ATOM 0 HG LEU A 17 0.702 -3.355 -6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.195 -4.817 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.334 -5.252 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.358 -4.351 -9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.005 -2.497 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.497 -1.879 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.095 -1.204 -8.082 1.00 0.00 H new ATOM 251 N HIS A 18 -2.576 -4.390 -5.524 1.00 0.00 N ATOM 252 CA HIS A 18 -2.752 -5.703 -4.983 1.00 0.00 C ATOM 253 C HIS A 18 -2.784 -5.803 -3.497 1.00 0.00 C ATOM 254 O HIS A 18 -2.213 -6.716 -2.901 1.00 0.00 O ATOM 255 CB HIS A 18 -1.780 -6.706 -5.627 1.00 0.00 C ATOM 256 CG HIS A 18 -2.333 -8.094 -5.760 1.00 0.00 C ATOM 257 ND1 HIS A 18 -2.570 -8.889 -4.669 1.00 0.00 N ATOM 258 CD2 HIS A 18 -2.820 -8.762 -6.839 1.00 0.00 C ATOM 259 CE1 HIS A 18 -3.196 -9.983 -5.061 1.00 0.00 C ATOM 260 NE2 HIS A 18 -3.341 -9.939 -6.372 1.00 0.00 N ATOM 0 H HIS A 18 -3.346 -4.119 -6.135 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.769 -5.978 -5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.500 -6.341 -6.615 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.868 -6.745 -5.032 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -2.305 -8.670 -3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.800 -8.429 -7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.533 -10.781 -4.416 1.00 0.00 H new ATOM 269 N ASP A 19 -3.491 -4.853 -2.858 1.00 0.00 N ATOM 270 CA ASP A 19 -3.659 -4.652 -1.452 1.00 0.00 C ATOM 271 C ASP A 19 -2.474 -4.067 -0.765 1.00 0.00 C ATOM 272 O ASP A 19 -2.299 -4.181 0.447 1.00 0.00 O ATOM 273 CB ASP A 19 -4.282 -5.847 -0.712 1.00 0.00 C ATOM 274 CG ASP A 19 -5.781 -5.883 -0.967 1.00 0.00 C ATOM 275 OD1 ASP A 19 -6.231 -6.236 -2.090 1.00 0.00 O ATOM 276 OD2 ASP A 19 -6.547 -5.536 -0.029 1.00 0.00 O ATOM 0 H ASP A 19 -4.001 -4.148 -3.390 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.416 -3.870 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.823 -6.776 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.087 -5.767 0.357 1.00 0.00 H new ATOM 281 N GLY A 20 -1.689 -3.275 -1.518 1.00 0.00 N ATOM 282 CA GLY A 20 -0.751 -2.333 -0.994 1.00 0.00 C ATOM 283 C GLY A 20 -1.408 -1.013 -0.775 1.00 0.00 C ATOM 284 O GLY A 20 -2.098 -0.490 -1.647 1.00 0.00 O ATOM 0 H GLY A 20 -1.710 -3.293 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.341 -2.703 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.085 -2.220 -1.684 1.00 0.00 H new ATOM 288 N VAL A 21 -1.209 -0.418 0.415 1.00 0.00 N ATOM 289 CA VAL A 21 -1.778 0.833 0.811 1.00 0.00 C ATOM 290 C VAL A 21 -0.693 1.854 0.848 1.00 0.00 C ATOM 291 O VAL A 21 0.147 1.870 1.745 1.00 0.00 O ATOM 292 CB VAL A 21 -2.468 0.752 2.141 1.00 0.00 C ATOM 293 CG1 VAL A 21 -3.083 2.108 2.526 1.00 0.00 C ATOM 294 CG2 VAL A 21 -3.579 -0.309 2.069 1.00 0.00 C ATOM 0 H VAL A 21 -0.620 -0.832 1.138 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.541 1.112 0.084 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.733 0.479 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.577 2.022 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.297 2.860 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.812 2.404 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.084 -0.373 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.299 -0.030 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.142 -1.277 1.824 1.00 0.00 H new ATOM 304 N CYS A 22 -0.643 2.753 -0.151 1.00 0.00 N ATOM 305 CA CYS A 22 0.329 3.800 -0.194 1.00 0.00 C ATOM 306 C CYS A 22 -0.137 5.020 0.524 1.00 0.00 C ATOM 307 O CYS A 22 -1.313 5.374 0.462 1.00 0.00 O ATOM 308 CB CYS A 22 0.775 4.164 -1.621 1.00 0.00 C ATOM 309 SG CYS A 22 -0.423 5.011 -2.690 1.00 0.00 S ATOM 0 H CYS A 22 -1.288 2.753 -0.941 1.00 0.00 H new ATOM 0 HA CYS A 22 1.202 3.399 0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.661 4.795 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.080 3.245 -2.122 1.00 0.00 H new ATOM 314 N MET A 23 0.776 5.706 1.234 1.00 0.00 N ATOM 315 CA MET A 23 0.491 6.929 1.919 1.00 0.00 C ATOM 316 C MET A 23 1.561 7.927 1.635 1.00 0.00 C ATOM 317 O MET A 23 2.669 7.860 2.165 1.00 0.00 O ATOM 318 CB MET A 23 0.312 6.724 3.432 1.00 0.00 C ATOM 319 CG MET A 23 -0.958 5.936 3.765 1.00 0.00 C ATOM 320 SD MET A 23 -1.229 5.594 5.530 1.00 0.00 S ATOM 321 CE MET A 23 -0.022 4.242 5.659 1.00 0.00 C ATOM 0 H MET A 23 1.744 5.400 1.335 1.00 0.00 H new ATOM 0 HA MET A 23 -0.460 7.308 1.545 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.179 6.197 3.830 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.275 7.695 3.926 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.817 6.488 3.384 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.926 4.987 3.230 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.542 3.311 5.884 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.512 4.140 4.714 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.688 4.463 6.456 1.00 0.00 H new ATOM 331 N TYR A 24 1.255 8.890 0.748 1.00 0.00 N ATOM 332 CA TYR A 24 2.117 9.966 0.364 1.00 0.00 C ATOM 333 C TYR A 24 1.633 11.245 0.954 1.00 0.00 C ATOM 334 O TYR A 24 0.575 11.769 0.606 1.00 0.00 O ATOM 335 CB TYR A 24 2.212 10.080 -1.166 1.00 0.00 C ATOM 336 CG TYR A 24 3.453 10.744 -1.652 1.00 0.00 C ATOM 337 CD1 TYR A 24 3.729 12.068 -1.404 1.00 0.00 C ATOM 338 CD2 TYR A 24 4.329 10.015 -2.421 1.00 0.00 C ATOM 339 CE1 TYR A 24 4.891 12.643 -1.861 1.00 0.00 C ATOM 340 CE2 TYR A 24 5.480 10.589 -2.907 1.00 0.00 C ATOM 341 CZ TYR A 24 5.778 11.897 -2.602 1.00 0.00 C ATOM 342 OH TYR A 24 6.997 12.444 -3.053 1.00 0.00 O ATOM 0 H TYR A 24 0.354 8.920 0.271 1.00 0.00 H new ATOM 0 HA TYR A 24 3.116 9.757 0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.155 9.081 -1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.349 10.636 -1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.024 12.664 -0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.111 8.981 -2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.107 13.678 -1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.150 10.013 -3.528 1.00 0.00 H new ATOM 0 HH TYR A 24 7.345 13.066 -2.380 1.00 0.00 H new ATOM 352 N ILE A 25 2.425 11.828 1.872 1.00 0.00 N ATOM 353 CA ILE A 25 2.118 13.087 2.479 1.00 0.00 C ATOM 354 C ILE A 25 3.009 14.103 1.850 1.00 0.00 C ATOM 355 O ILE A 25 4.199 14.204 2.141 1.00 0.00 O ATOM 356 CB ILE A 25 2.309 13.051 3.967 1.00 0.00 C ATOM 357 CG1 ILE A 25 1.539 11.904 4.644 1.00 0.00 C ATOM 358 CG2 ILE A 25 1.801 14.393 4.519 1.00 0.00 C ATOM 359 CD1 ILE A 25 2.305 10.587 4.762 1.00 0.00 C ATOM 0 H ILE A 25 3.298 11.416 2.200 1.00 0.00 H new ATOM 0 HA ILE A 25 1.069 13.335 2.317 1.00 0.00 H new ATOM 0 HB ILE A 25 3.365 12.884 4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.245 12.225 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.622 11.723 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.922 14.410 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.374 15.208 4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.747 14.513 4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.677 9.843 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.576 10.234 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.209 10.743 5.351 1.00 0.00 H new ATOM 371 N GLU A 26 2.450 14.927 0.946 1.00 0.00 N ATOM 372 CA GLU A 26 3.132 15.912 0.164 1.00 0.00 C ATOM 373 C GLU A 26 3.717 16.998 1.000 1.00 0.00 C ATOM 374 O GLU A 26 4.796 17.514 0.718 1.00 0.00 O ATOM 375 CB GLU A 26 2.147 16.465 -0.879 1.00 0.00 C ATOM 376 CG GLU A 26 2.662 17.524 -1.855 1.00 0.00 C ATOM 377 CD GLU A 26 3.655 17.031 -2.899 1.00 0.00 C ATOM 378 OE1 GLU A 26 3.405 15.981 -3.549 1.00 0.00 O ATOM 379 OE2 GLU A 26 4.636 17.773 -3.174 1.00 0.00 O ATOM 0 H GLU A 26 1.450 14.902 0.748 1.00 0.00 H new ATOM 0 HA GLU A 26 3.979 15.444 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.772 15.625 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.296 16.887 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.808 17.962 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.132 18.323 -1.281 1.00 0.00 H new ATOM 386 N ALA A 27 3.066 17.329 2.131 1.00 0.00 N ATOM 387 CA ALA A 27 3.521 18.216 3.156 1.00 0.00 C ATOM 388 C ALA A 27 4.911 17.993 3.643 1.00 0.00 C ATOM 389 O ALA A 27 5.678 18.925 3.877 1.00 0.00 O ATOM 390 CB ALA A 27 2.571 18.057 4.356 1.00 0.00 C ATOM 0 H ALA A 27 2.146 16.943 2.343 1.00 0.00 H new ATOM 0 HA ALA A 27 3.524 19.211 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.887 18.720 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.556 18.313 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.596 17.025 4.706 1.00 0.00 H new ATOM 396 N LEU A 28 5.275 16.709 3.814 1.00 0.00 N ATOM 397 CA LEU A 28 6.556 16.243 4.249 1.00 0.00 C ATOM 398 C LEU A 28 7.446 15.874 3.112 1.00 0.00 C ATOM 399 O LEU A 28 8.645 16.142 3.160 1.00 0.00 O ATOM 400 CB LEU A 28 6.369 15.013 5.152 1.00 0.00 C ATOM 401 CG LEU A 28 5.872 15.386 6.560 1.00 0.00 C ATOM 402 CD1 LEU A 28 4.787 14.405 7.034 1.00 0.00 C ATOM 403 CD2 LEU A 28 7.034 15.452 7.564 1.00 0.00 C ATOM 0 H LEU A 28 4.627 15.942 3.635 1.00 0.00 H new ATOM 0 HA LEU A 28 7.031 17.060 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.657 14.330 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.316 14.479 5.234 1.00 0.00 H new ATOM 0 HG LEU A 28 5.429 16.380 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.451 14.688 8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.943 14.435 6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.197 13.395 7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.649 15.718 8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.525 14.480 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.753 16.205 7.240 1.00 0.00 H new ATOM 415 N ASP A 29 6.879 15.200 2.095 1.00 0.00 N ATOM 416 CA ASP A 29 7.538 14.549 1.005 1.00 0.00 C ATOM 417 C ASP A 29 8.202 13.291 1.447 1.00 0.00 C ATOM 418 O ASP A 29 9.114 12.752 0.821 1.00 0.00 O ATOM 419 CB ASP A 29 8.401 15.520 0.183 1.00 0.00 C ATOM 420 CG ASP A 29 8.884 14.932 -1.135 1.00 0.00 C ATOM 421 OD1 ASP A 29 8.033 14.552 -1.983 1.00 0.00 O ATOM 422 OD2 ASP A 29 10.125 14.858 -1.342 1.00 0.00 O ATOM 0 H ASP A 29 5.866 15.103 2.032 1.00 0.00 H new ATOM 0 HA ASP A 29 6.789 14.217 0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.826 16.423 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.265 15.819 0.777 1.00 0.00 H new ATOM 427 N LYS A 30 7.737 12.733 2.579 1.00 0.00 N ATOM 428 CA LYS A 30 8.180 11.488 3.124 1.00 0.00 C ATOM 429 C LYS A 30 7.037 10.533 3.098 1.00 0.00 C ATOM 430 O LYS A 30 5.960 10.822 3.617 1.00 0.00 O ATOM 431 CB LYS A 30 8.682 11.605 4.573 1.00 0.00 C ATOM 432 CG LYS A 30 9.841 12.585 4.769 1.00 0.00 C ATOM 433 CD LYS A 30 11.003 12.347 3.802 1.00 0.00 C ATOM 434 CE LYS A 30 12.184 13.271 4.109 1.00 0.00 C ATOM 435 NZ LYS A 30 13.164 13.286 3.001 1.00 0.00 N ATOM 0 H LYS A 30 7.012 13.175 3.144 1.00 0.00 H new ATOM 0 HA LYS A 30 9.018 11.146 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.851 11.914 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.995 10.619 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.473 13.603 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.207 12.505 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.326 11.308 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.666 12.512 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.819 14.283 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.675 12.943 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.951 13.922 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.530 12.325 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.701 13.622 2.133 1.00 0.00 H new ATOM 449 N TYR A 31 7.240 9.367 2.457 1.00 0.00 N ATOM 450 CA TYR A 31 6.152 8.495 2.136 1.00 0.00 C ATOM 451 C TYR A 31 6.397 7.056 2.433 1.00 0.00 C ATOM 452 O TYR A 31 7.491 6.658 2.831 1.00 0.00 O ATOM 453 CB TYR A 31 5.603 8.765 0.725 1.00 0.00 C ATOM 454 CG TYR A 31 6.475 8.334 -0.404 1.00 0.00 C ATOM 455 CD1 TYR A 31 7.574 9.066 -0.789 1.00 0.00 C ATOM 456 CD2 TYR A 31 6.089 7.250 -1.156 1.00 0.00 C ATOM 457 CE1 TYR A 31 8.291 8.702 -1.904 1.00 0.00 C ATOM 458 CE2 TYR A 31 6.785 6.897 -2.288 1.00 0.00 C ATOM 459 CZ TYR A 31 7.898 7.617 -2.652 1.00 0.00 C ATOM 460 OH TYR A 31 8.644 7.257 -3.793 1.00 0.00 O ATOM 0 H TYR A 31 8.156 9.029 2.162 1.00 0.00 H new ATOM 0 HA TYR A 31 5.352 8.750 2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.640 8.263 0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.416 9.834 0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.875 9.929 -0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.230 6.669 -0.854 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.164 9.269 -2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.459 6.060 -2.887 1.00 0.00 H new ATOM 0 HH TYR A 31 8.240 6.469 -4.213 1.00 0.00 H new ATOM 470 N ALA A 32 5.347 6.226 2.300 1.00 0.00 N ATOM 471 CA ALA A 32 5.390 4.827 2.594 1.00 0.00 C ATOM 472 C ALA A 32 4.420 4.062 1.762 1.00 0.00 C ATOM 473 O ALA A 32 3.460 4.615 1.228 1.00 0.00 O ATOM 474 CB ALA A 32 5.051 4.600 4.077 1.00 0.00 C ATOM 0 H ALA A 32 4.433 6.541 1.975 1.00 0.00 H new ATOM 0 HA ALA A 32 6.397 4.473 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.084 3.533 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.776 5.123 4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.052 4.983 4.284 1.00 0.00 H new ATOM 480 N CYS A 33 4.632 2.744 1.598 1.00 0.00 N ATOM 481 CA CYS A 33 3.631 1.821 1.161 1.00 0.00 C ATOM 482 C CYS A 33 3.556 0.678 2.114 1.00 0.00 C ATOM 483 O CYS A 33 4.554 -0.006 2.338 1.00 0.00 O ATOM 484 CB CYS A 33 3.856 1.314 -0.273 1.00 0.00 C ATOM 485 SG CYS A 33 2.412 0.503 -1.020 1.00 0.00 S ATOM 0 H CYS A 33 5.535 2.304 1.777 1.00 0.00 H new ATOM 0 HA CYS A 33 2.683 2.359 1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.149 2.155 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.690 0.612 -0.270 1.00 0.00 H new ATOM 490 N ASN A 34 2.383 0.409 2.716 1.00 0.00 N ATOM 491 CA ASN A 34 2.191 -0.679 3.622 1.00 0.00 C ATOM 492 C ASN A 34 1.528 -1.809 2.911 1.00 0.00 C ATOM 493 O ASN A 34 0.721 -1.609 2.005 1.00 0.00 O ATOM 494 CB ASN A 34 1.387 -0.222 4.851 1.00 0.00 C ATOM 495 CG ASN A 34 1.540 -1.172 6.030 1.00 0.00 C ATOM 496 OD1 ASN A 34 2.337 -2.109 6.001 1.00 0.00 O ATOM 497 ND2 ASN A 34 0.770 -0.934 7.125 1.00 0.00 N ATOM 0 H ASN A 34 1.542 0.967 2.567 1.00 0.00 H new ATOM 0 HA ASN A 34 3.158 -1.028 3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.715 0.775 5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.333 -0.145 4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.847 -1.538 7.943 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.116 -0.152 7.128 1.00 0.00 H new ATOM 504 N CYS A 35 1.842 -3.060 3.292 1.00 0.00 N ATOM 505 CA CYS A 35 1.259 -4.249 2.753 1.00 0.00 C ATOM 506 C CYS A 35 0.632 -5.029 3.857 1.00 0.00 C ATOM 507 O CYS A 35 0.735 -4.695 5.036 1.00 0.00 O ATOM 508 CB CYS A 35 2.303 -5.117 2.030 1.00 0.00 C ATOM 509 SG CYS A 35 2.387 -4.798 0.244 1.00 0.00 S ATOM 0 H CYS A 35 2.538 -3.251 4.013 1.00 0.00 H new ATOM 0 HA CYS A 35 0.506 -3.959 2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.283 -4.937 2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.068 -6.169 2.194 1.00 0.00 H new ATOM 514 N VAL A 36 -0.080 -6.112 3.494 1.00 0.00 N ATOM 515 CA VAL A 36 -0.642 -7.074 4.389 1.00 0.00 C ATOM 516 C VAL A 36 0.308 -8.204 4.600 1.00 0.00 C ATOM 517 O VAL A 36 1.308 -8.357 3.902 1.00 0.00 O ATOM 518 CB VAL A 36 -1.983 -7.558 3.921 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.070 -6.663 4.541 1.00 0.00 C ATOM 520 CG2 VAL A 36 -2.089 -7.515 2.387 1.00 0.00 C ATOM 0 H VAL A 36 -0.274 -6.327 2.516 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.807 -6.584 5.348 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.114 -8.594 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.052 -7.001 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.013 -6.721 5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.916 -5.631 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.072 -7.872 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.951 -6.491 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.319 -8.152 1.951 1.00 0.00 H new ATOM 530 N VAL A 37 0.064 -9.041 5.625 1.00 0.00 N ATOM 531 CA VAL A 37 0.953 -10.078 6.046 1.00 0.00 C ATOM 532 C VAL A 37 0.744 -11.334 5.273 1.00 0.00 C ATOM 533 O VAL A 37 -0.371 -11.843 5.159 1.00 0.00 O ATOM 534 CB VAL A 37 0.882 -10.340 7.522 1.00 0.00 C ATOM 535 CG1 VAL A 37 2.094 -11.176 7.963 1.00 0.00 C ATOM 536 CG2 VAL A 37 0.894 -9.002 8.280 1.00 0.00 C ATOM 0 H VAL A 37 -0.788 -8.992 6.183 1.00 0.00 H new ATOM 0 HA VAL A 37 1.959 -9.715 5.835 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.036 -10.885 7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.036 -11.363 9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.094 -12.126 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.012 -10.633 7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.842 -9.191 9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.813 -8.462 8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.035 -8.404 7.975 1.00 0.00 H new ATOM 546 N GLY A 38 1.819 -11.892 4.688 1.00 0.00 N ATOM 547 CA GLY A 38 1.787 -13.027 3.819 1.00 0.00 C ATOM 548 C GLY A 38 1.818 -12.656 2.376 1.00 0.00 C ATOM 549 O GLY A 38 1.374 -13.418 1.519 1.00 0.00 O ATOM 0 H GLY A 38 2.762 -11.531 4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.637 -13.672 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.886 -13.607 4.020 1.00 0.00 H new ATOM 553 N TYR A 39 2.335 -11.453 2.069 1.00 0.00 N ATOM 554 CA TYR A 39 2.381 -10.886 0.756 1.00 0.00 C ATOM 555 C TYR A 39 3.735 -10.283 0.602 1.00 0.00 C ATOM 556 O TYR A 39 4.177 -9.482 1.425 1.00 0.00 O ATOM 557 CB TYR A 39 1.324 -9.791 0.538 1.00 0.00 C ATOM 558 CG TYR A 39 -0.056 -10.355 0.538 1.00 0.00 C ATOM 559 CD1 TYR A 39 -0.724 -10.565 1.721 1.00 0.00 C ATOM 560 CD2 TYR A 39 -0.695 -10.629 -0.648 1.00 0.00 C ATOM 561 CE1 TYR A 39 -2.020 -11.025 1.730 1.00 0.00 C ATOM 562 CE2 TYR A 39 -1.995 -11.077 -0.651 1.00 0.00 C ATOM 563 CZ TYR A 39 -2.659 -11.272 0.537 1.00 0.00 C ATOM 564 OH TYR A 39 -4.000 -11.711 0.533 1.00 0.00 O ATOM 0 H TYR A 39 2.744 -10.842 2.776 1.00 0.00 H new ATOM 0 HA TYR A 39 2.176 -11.669 0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.411 -9.039 1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.512 -9.286 -0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.224 -10.366 2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.173 -10.492 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.532 -11.191 2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.495 -11.276 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.300 -11.837 -0.391 1.00 0.00 H new ATOM 574 N ILE A 40 4.475 -10.673 -0.450 1.00 0.00 N ATOM 575 CA ILE A 40 5.820 -10.238 -0.663 1.00 0.00 C ATOM 576 C ILE A 40 5.947 -9.679 -2.038 1.00 0.00 C ATOM 577 O ILE A 40 5.051 -9.770 -2.876 1.00 0.00 O ATOM 578 CB ILE A 40 6.850 -11.290 -0.377 1.00 0.00 C ATOM 579 CG1 ILE A 40 6.686 -12.538 -1.260 1.00 0.00 C ATOM 580 CG2 ILE A 40 6.797 -11.630 1.123 1.00 0.00 C ATOM 581 CD1 ILE A 40 7.759 -13.595 -0.997 1.00 0.00 C ATOM 0 H ILE A 40 4.130 -11.307 -1.171 1.00 0.00 H new ATOM 0 HA ILE A 40 6.030 -9.453 0.063 1.00 0.00 H new ATOM 0 HB ILE A 40 7.835 -10.896 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.702 -12.974 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.722 -12.243 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.540 -12.394 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.008 -10.734 1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.805 -12.003 1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.592 -14.453 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.743 -13.172 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.707 -13.915 0.044 1.00 0.00 H new ATOM 593 N GLY A 41 7.080 -9.006 -2.309 1.00 0.00 N ATOM 594 CA GLY A 41 7.255 -8.220 -3.490 1.00 0.00 C ATOM 595 C GLY A 41 6.846 -6.802 -3.286 1.00 0.00 C ATOM 596 O GLY A 41 5.963 -6.475 -2.493 1.00 0.00 O ATOM 0 H GLY A 41 7.893 -9.009 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.301 -8.255 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.670 -8.652 -4.302 1.00 0.00 H new ATOM 600 N GLU A 42 7.471 -5.882 -4.041 1.00 0.00 N ATOM 601 CA GLU A 42 7.292 -4.467 -3.928 1.00 0.00 C ATOM 602 C GLU A 42 5.888 -4.019 -4.143 1.00 0.00 C ATOM 603 O GLU A 42 5.349 -3.176 -3.429 1.00 0.00 O ATOM 604 CB GLU A 42 8.198 -3.757 -4.948 1.00 0.00 C ATOM 605 CG GLU A 42 8.394 -2.262 -4.694 1.00 0.00 C ATOM 606 CD GLU A 42 9.180 -2.021 -3.413 1.00 0.00 C ATOM 607 OE1 GLU A 42 10.356 -2.470 -3.357 1.00 0.00 O ATOM 608 OE2 GLU A 42 8.646 -1.408 -2.450 1.00 0.00 O ATOM 0 H GLU A 42 8.137 -6.139 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 42 7.556 -4.205 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.174 -4.243 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.776 -3.891 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.920 -1.813 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.423 -1.771 -4.626 1.00 0.00 H new ATOM 615 N ARG A 43 5.226 -4.630 -5.143 1.00 0.00 N ATOM 616 CA ARG A 43 3.885 -4.323 -5.533 1.00 0.00 C ATOM 617 C ARG A 43 2.893 -5.290 -4.984 1.00 0.00 C ATOM 618 O ARG A 43 1.834 -5.509 -5.569 1.00 0.00 O ATOM 619 CB ARG A 43 3.808 -4.150 -7.060 1.00 0.00 C ATOM 620 CG ARG A 43 4.632 -5.097 -7.934 1.00 0.00 C ATOM 621 CD ARG A 43 4.752 -4.587 -9.372 1.00 0.00 C ATOM 622 NE ARG A 43 5.786 -5.417 -10.051 1.00 0.00 N ATOM 623 CZ ARG A 43 6.508 -5.021 -11.138 1.00 0.00 C ATOM 624 NH1 ARG A 43 6.553 -3.721 -11.548 1.00 0.00 N ATOM 625 NH2 ARG A 43 7.246 -5.937 -11.833 1.00 0.00 N ATOM 0 H ARG A 43 5.645 -5.371 -5.704 1.00 0.00 H new ATOM 0 HA ARG A 43 3.603 -3.369 -5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.763 -4.248 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.111 -3.130 -7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.628 -5.213 -7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.169 -6.084 -7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.796 -4.666 -9.889 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.035 -3.534 -9.384 1.00 0.00 H new ATOM 0 HE ARG A 43 5.967 -6.348 -9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.035 -3.007 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.105 -3.463 -12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.256 -6.913 -11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.787 -5.644 -12.647 1.00 0.00 H new ATOM 639 N CYS A 44 3.181 -5.876 -3.809 1.00 0.00 N ATOM 640 CA CYS A 44 2.314 -6.688 -3.013 1.00 0.00 C ATOM 641 C CYS A 44 1.765 -7.879 -3.721 1.00 0.00 C ATOM 642 O CYS A 44 0.660 -8.361 -3.479 1.00 0.00 O ATOM 643 CB CYS A 44 1.211 -5.850 -2.343 1.00 0.00 C ATOM 644 SG CYS A 44 1.042 -6.092 -0.551 1.00 0.00 S ATOM 0 H CYS A 44 4.101 -5.772 -3.380 1.00 0.00 H new ATOM 0 HA CYS A 44 2.946 -7.101 -2.227 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.410 -4.796 -2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.258 -6.086 -2.817 1.00 0.00 H new ATOM 649 N GLN A 45 2.552 -8.390 -4.684 1.00 0.00 N ATOM 650 CA GLN A 45 2.106 -9.245 -5.741 1.00 0.00 C ATOM 651 C GLN A 45 2.022 -10.683 -5.359 1.00 0.00 C ATOM 652 O GLN A 45 1.052 -11.386 -5.634 1.00 0.00 O ATOM 653 CB GLN A 45 3.128 -9.075 -6.877 1.00 0.00 C ATOM 654 CG GLN A 45 2.903 -9.921 -8.132 1.00 0.00 C ATOM 655 CD GLN A 45 1.604 -9.544 -8.832 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.749 -10.357 -9.180 1.00 0.00 O ATOM 657 NE2 GLN A 45 1.471 -8.207 -9.049 1.00 0.00 N ATOM 0 H GLN A 45 3.553 -8.197 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 45 1.092 -8.962 -6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.139 -8.025 -7.171 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.118 -9.306 -6.483 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.740 -9.787 -8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.879 -10.977 -7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.203 -7.566 -8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.639 -7.846 -9.516 1.00 0.00 H new ATOM 666 N TYR A 46 3.095 -11.189 -4.727 1.00 0.00 N ATOM 667 CA TYR A 46 3.309 -12.589 -4.523 1.00 0.00 C ATOM 668 C TYR A 46 2.747 -12.955 -3.192 1.00 0.00 C ATOM 669 O TYR A 46 2.935 -12.246 -2.205 1.00 0.00 O ATOM 670 CB TYR A 46 4.806 -12.941 -4.524 1.00 0.00 C ATOM 671 CG TYR A 46 5.435 -12.653 -5.843 1.00 0.00 C ATOM 672 CD1 TYR A 46 5.849 -11.381 -6.158 1.00 0.00 C ATOM 673 CD2 TYR A 46 5.643 -13.670 -6.746 1.00 0.00 C ATOM 674 CE1 TYR A 46 6.489 -11.126 -7.349 1.00 0.00 C ATOM 675 CE2 TYR A 46 6.271 -13.423 -7.944 1.00 0.00 C ATOM 676 CZ TYR A 46 6.705 -12.152 -8.238 1.00 0.00 C ATOM 677 OH TYR A 46 7.394 -11.892 -9.443 1.00 0.00 O ATOM 0 H TYR A 46 3.839 -10.605 -4.345 1.00 0.00 H new ATOM 0 HA TYR A 46 2.826 -13.134 -5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.315 -12.372 -3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.933 -13.996 -4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.670 -10.573 -5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.310 -14.670 -6.512 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.820 -10.125 -7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.423 -14.225 -8.652 1.00 0.00 H new ATOM 0 HH TYR A 46 7.467 -12.719 -9.963 1.00 0.00 H new ATOM 687 N ARG A 47 2.039 -14.095 -3.101 1.00 0.00 N ATOM 688 CA ARG A 47 1.485 -14.520 -1.853 1.00 0.00 C ATOM 689 C ARG A 47 2.419 -15.527 -1.275 1.00 0.00 C ATOM 690 O ARG A 47 3.013 -16.346 -1.973 1.00 0.00 O ATOM 691 CB ARG A 47 0.068 -15.098 -2.006 1.00 0.00 C ATOM 692 CG ARG A 47 -0.987 -14.022 -2.271 1.00 0.00 C ATOM 693 CD ARG A 47 -1.769 -14.135 -3.581 1.00 0.00 C ATOM 694 NE ARG A 47 -0.889 -13.698 -4.703 1.00 0.00 N ATOM 695 CZ ARG A 47 -0.290 -14.539 -5.595 1.00 0.00 C ATOM 696 NH1 ARG A 47 -0.467 -15.892 -5.578 1.00 0.00 N ATOM 697 NH2 ARG A 47 0.586 -14.005 -6.496 1.00 0.00 N ATOM 0 H ARG A 47 1.851 -14.719 -3.886 1.00 0.00 H new ATOM 0 HA ARG A 47 1.379 -13.662 -1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.061 -15.817 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.196 -15.644 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.700 -14.034 -1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.494 -13.050 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.098 -15.162 -3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.665 -13.516 -3.541 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.723 -12.697 -4.811 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.071 -16.319 -4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.004 -16.477 -6.268 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.777 -13.003 -6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.050 -14.608 -7.175 1.00 0.00 H new ATOM 711 N ASP A 48 2.635 -15.437 0.050 1.00 0.00 N ATOM 712 CA ASP A 48 3.540 -16.270 0.779 1.00 0.00 C ATOM 713 C ASP A 48 2.703 -17.210 1.577 1.00 0.00 C ATOM 714 O ASP A 48 2.310 -16.952 2.714 1.00 0.00 O ATOM 715 CB ASP A 48 4.459 -15.350 1.600 1.00 0.00 C ATOM 716 CG ASP A 48 5.781 -16.012 1.956 1.00 0.00 C ATOM 717 OD1 ASP A 48 6.430 -16.587 1.041 1.00 0.00 O ATOM 718 OD2 ASP A 48 6.193 -15.944 3.144 1.00 0.00 O ATOM 0 H ASP A 48 2.158 -14.754 0.638 1.00 0.00 H new ATOM 0 HA ASP A 48 4.200 -16.878 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.654 -14.439 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.947 -15.054 2.515 1.00 0.00 H new ATOM 723 N LEU A 49 2.365 -18.365 0.977 1.00 0.00 N ATOM 724 CA LEU A 49 1.278 -19.198 1.393 1.00 0.00 C ATOM 725 C LEU A 49 1.670 -20.198 2.426 1.00 0.00 C ATOM 726 O LEU A 49 0.970 -21.175 2.684 1.00 0.00 O ATOM 727 CB LEU A 49 0.652 -19.896 0.175 1.00 0.00 C ATOM 728 CG LEU A 49 0.006 -18.931 -0.832 1.00 0.00 C ATOM 729 CD1 LEU A 49 -0.392 -19.681 -2.115 1.00 0.00 C ATOM 730 CD2 LEU A 49 -1.228 -18.217 -0.253 1.00 0.00 C ATOM 0 H LEU A 49 2.868 -18.734 0.170 1.00 0.00 H new ATOM 0 HA LEU A 49 0.540 -18.546 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.422 -20.476 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.102 -20.603 0.521 1.00 0.00 H new ATOM 0 HG LEU A 49 0.753 -18.171 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.848 -18.983 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.495 -20.124 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.106 -20.468 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.647 -17.547 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.976 -18.957 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.936 -17.641 0.625 1.00 0.00 H new ATOM 742 N LYS A 50 2.804 -19.950 3.106 1.00 0.00 N ATOM 743 CA LYS A 50 3.358 -20.795 4.118 1.00 0.00 C ATOM 744 C LYS A 50 2.594 -20.727 5.395 1.00 0.00 C ATOM 745 O LYS A 50 2.356 -21.758 6.024 1.00 0.00 O ATOM 746 CB LYS A 50 4.837 -20.471 4.389 1.00 0.00 C ATOM 747 CG LYS A 50 5.812 -20.865 3.276 1.00 0.00 C ATOM 748 CD LYS A 50 5.916 -19.854 2.134 1.00 0.00 C ATOM 749 CE LYS A 50 7.203 -20.021 1.323 1.00 0.00 C ATOM 750 NZ LYS A 50 7.312 -18.968 0.290 1.00 0.00 N ATOM 0 H LYS A 50 3.364 -19.114 2.940 1.00 0.00 H new ATOM 0 HA LYS A 50 3.285 -21.810 3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.930 -19.400 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.139 -20.974 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.802 -21.005 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.505 -21.827 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.056 -19.966 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.875 -18.844 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.066 -19.976 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.216 -21.003 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.301 -18.654 0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.002 -19.348 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.710 -18.161 0.552 1.00 0.00 H new ATOM 764 N TRP A 51 2.142 -19.532 5.815 1.00 0.00 N ATOM 765 CA TRP A 51 1.408 -19.366 7.032 1.00 0.00 C ATOM 766 C TRP A 51 -0.027 -19.739 6.883 1.00 0.00 C ATOM 767 O TRP A 51 -0.665 -20.232 7.811 1.00 0.00 O ATOM 768 CB TRP A 51 1.555 -17.951 7.616 1.00 0.00 C ATOM 769 CG TRP A 51 0.729 -16.821 7.047 1.00 0.00 C ATOM 770 CD1 TRP A 51 1.064 -15.863 6.135 1.00 0.00 C ATOM 771 CD2 TRP A 51 -0.628 -16.542 7.440 1.00 0.00 C ATOM 772 NE1 TRP A 51 0.004 -15.022 5.921 1.00 0.00 N ATOM 773 CE2 TRP A 51 -1.060 -15.448 6.679 1.00 0.00 C ATOM 774 CE3 TRP A 51 -1.464 -17.128 8.350 1.00 0.00 C ATOM 775 CZ2 TRP A 51 -2.329 -14.954 6.809 1.00 0.00 C ATOM 776 CZ3 TRP A 51 -2.738 -16.626 8.476 1.00 0.00 C ATOM 777 CH2 TRP A 51 -3.164 -15.561 7.717 1.00 0.00 C ATOM 0 H TRP A 51 2.289 -18.664 5.300 1.00 0.00 H new ATOM 0 HA TRP A 51 1.852 -20.059 7.747 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.333 -18.013 8.681 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.603 -17.667 7.524 1.00 0.00 H new ATOM 0 HD1 TRP A 51 2.026 -15.780 5.652 1.00 0.00 H new ATOM 0 HE1 TRP A 51 0.004 -14.212 5.301 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.133 -17.961 8.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -2.664 -14.115 6.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.417 -17.077 9.185 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.173 -15.195 7.837 1.00 0.00 H new ATOM 788 N TRP A 52 -0.588 -19.530 5.679 1.00 0.00 N ATOM 789 CA TRP A 52 -1.948 -19.780 5.318 1.00 0.00 C ATOM 790 C TRP A 52 -2.367 -21.197 5.509 1.00 0.00 C ATOM 791 O TRP A 52 -3.435 -21.475 6.050 1.00 0.00 O ATOM 792 CB TRP A 52 -2.202 -19.388 3.852 1.00 0.00 C ATOM 793 CG TRP A 52 -2.108 -17.917 3.527 1.00 0.00 C ATOM 794 CD1 TRP A 52 -1.005 -17.118 3.431 1.00 0.00 C ATOM 795 CD2 TRP A 52 -3.231 -17.093 3.156 1.00 0.00 C ATOM 796 NE1 TRP A 52 -1.352 -15.877 2.968 1.00 0.00 N ATOM 797 CE2 TRP A 52 -2.717 -15.839 2.810 1.00 0.00 C ATOM 798 CE3 TRP A 52 -4.573 -17.348 3.090 1.00 0.00 C ATOM 799 CZ2 TRP A 52 -3.549 -14.835 2.392 1.00 0.00 C ATOM 800 CZ3 TRP A 52 -5.400 -16.329 2.680 1.00 0.00 C ATOM 801 CH2 TRP A 52 -4.896 -15.098 2.329 1.00 0.00 C ATOM 0 H TRP A 52 -0.047 -19.157 4.899 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.544 -19.165 5.993 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.488 -19.923 3.226 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.196 -19.737 3.572 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.000 -17.422 3.685 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.707 -15.111 2.773 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.970 -18.318 3.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -3.158 -13.866 2.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -6.466 -16.498 2.633 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -5.572 -14.324 1.998 1.00 0.00 H new ATOM 812 N GLU A 53 -1.518 -22.148 5.081 1.00 0.00 N ATOM 813 CA GLU A 53 -1.704 -23.550 5.298 1.00 0.00 C ATOM 814 C GLU A 53 -0.640 -24.089 6.192 1.00 0.00 C ATOM 815 O GLU A 53 0.088 -25.019 5.847 1.00 0.00 O ATOM 816 CB GLU A 53 -1.759 -24.318 3.967 1.00 0.00 C ATOM 817 CG GLU A 53 -3.054 -24.057 3.195 1.00 0.00 C ATOM 818 CD GLU A 53 -3.178 -24.915 1.944 1.00 0.00 C ATOM 819 OE1 GLU A 53 -2.967 -26.155 2.019 1.00 0.00 O ATOM 820 OE2 GLU A 53 -3.533 -24.361 0.869 1.00 0.00 O ATOM 0 H GLU A 53 -0.667 -21.932 4.562 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.664 -23.691 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.907 -24.031 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.665 -25.386 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.906 -24.249 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.098 -23.005 2.914 1.00 0.00 H new ATOM 827 N LEU A 54 -0.531 -23.522 7.407 1.00 0.00 N ATOM 828 CA LEU A 54 0.348 -23.968 8.442 1.00 0.00 C ATOM 829 C LEU A 54 -0.452 -24.678 9.524 1.00 0.00 C ATOM 830 O LEU A 54 -0.294 -25.919 9.679 1.00 0.00 O ATOM 831 CB LEU A 54 1.137 -22.790 9.040 1.00 0.00 C ATOM 832 CG LEU A 54 2.187 -23.126 10.112 1.00 0.00 C ATOM 833 CD1 LEU A 54 3.088 -24.313 9.729 1.00 0.00 C ATOM 834 CD2 LEU A 54 3.055 -21.884 10.373 1.00 0.00 C ATOM 835 OXT LEU A 54 -1.276 -24.034 10.227 1.00 0.00 O ATOM 0 H LEU A 54 -1.085 -22.711 7.681 1.00 0.00 H new ATOM 0 HA LEU A 54 1.066 -24.667 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.640 -22.270 8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.423 -22.089 9.473 1.00 0.00 H new ATOM 0 HG LEU A 54 1.646 -23.421 11.011 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.806 -24.497 10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.475 -25.202 9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.622 -24.082 8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.802 -22.115 11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.555 -21.589 9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.424 -21.066 10.722 1.00 0.00 H new TER 847 LEU A 54