USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0375 (180deg=-0.0251) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0186) USER MOD Single : A 10 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.7) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= -0.544 (180deg=-1.67!) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.01) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.19! C(o=-2.2!,f=-11!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.866 K(o=-0.87,f=-0.2) USER MOD Single : A 41 SER OG : rot -42:sc= 0.191 USER MOD Single : A 42 THR OG1 : rot 7:sc= 0.974 USER MOD Single : A 43 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 0.688 (180deg=0.483) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0722) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.804 -18.251 11.646 1.00 0.00 N ATOM 2 CA MET A 1 2.261 -18.245 11.384 1.00 0.00 C ATOM 3 C MET A 1 3.031 -18.531 12.666 1.00 0.00 C ATOM 4 O MET A 1 2.578 -18.184 13.758 1.00 0.00 O ATOM 5 CB MET A 1 2.702 -16.901 10.795 1.00 0.00 C ATOM 6 CG MET A 1 2.181 -16.647 9.388 1.00 0.00 C ATOM 7 SD MET A 1 2.755 -15.084 8.693 1.00 0.00 S ATOM 8 CE MET A 1 2.064 -15.190 7.043 1.00 0.00 C ATOM 0 H1 MET A 1 0.362 -19.039 11.131 1.00 0.00 H new ATOM 0 H2 MET A 1 0.635 -18.366 12.666 1.00 0.00 H new ATOM 0 H3 MET A 1 0.390 -17.352 11.325 1.00 0.00 H new ATOM 0 HA MET A 1 2.479 -19.029 10.658 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.361 -16.099 11.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.791 -16.860 10.782 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.494 -17.464 8.738 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.091 -16.652 9.404 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.329 -14.295 6.479 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.463 -16.069 6.537 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.979 -15.270 7.107 1.00 0.00 H new ATOM 20 N PRO A 2 4.210 -19.167 12.550 1.00 0.00 N ATOM 21 CA PRO A 2 5.020 -19.539 13.714 1.00 0.00 C ATOM 22 C PRO A 2 5.548 -18.322 14.465 1.00 0.00 C ATOM 23 O PRO A 2 5.514 -18.273 15.693 1.00 0.00 O ATOM 24 CB PRO A 2 6.175 -20.346 13.112 1.00 0.00 C ATOM 25 CG PRO A 2 6.248 -19.922 11.686 1.00 0.00 C ATOM 26 CD PRO A 2 4.842 -19.576 11.283 1.00 0.00 C ATOM 0 HA PRO A 2 4.440 -20.096 14.450 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.111 -20.141 13.632 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.992 -21.417 13.195 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.910 -19.064 11.568 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.647 -20.721 11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.822 -18.772 10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.331 -20.429 10.837 1.00 0.00 H new ATOM 34 N LEU A 3 6.033 -17.341 13.724 1.00 0.00 N ATOM 35 CA LEU A 3 6.546 -16.124 14.323 1.00 0.00 C ATOM 36 C LEU A 3 5.739 -14.924 13.853 1.00 0.00 C ATOM 37 O LEU A 3 5.671 -14.637 12.656 1.00 0.00 O ATOM 38 CB LEU A 3 8.028 -15.920 13.987 1.00 0.00 C ATOM 39 CG LEU A 3 8.999 -16.930 14.608 1.00 0.00 C ATOM 40 CD1 LEU A 3 9.094 -18.184 13.757 1.00 0.00 C ATOM 41 CD2 LEU A 3 10.373 -16.307 14.789 1.00 0.00 C ATOM 0 H LEU A 3 6.082 -17.365 12.705 1.00 0.00 H new ATOM 0 HA LEU A 3 6.452 -16.219 15.405 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.143 -15.953 12.904 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.319 -14.920 14.308 1.00 0.00 H new ATOM 0 HG LEU A 3 8.613 -17.212 15.588 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.789 -18.885 14.219 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.110 -18.646 13.679 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.451 -17.922 12.761 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.049 -17.039 15.231 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.761 -15.994 13.820 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.296 -15.441 15.446 1.00 0.00 H new ATOM 53 N THR A 4 5.102 -14.250 14.794 1.00 0.00 N ATOM 54 CA THR A 4 4.348 -13.048 14.496 1.00 0.00 C ATOM 55 C THR A 4 4.576 -12.009 15.587 1.00 0.00 C ATOM 56 O THR A 4 3.901 -12.014 16.616 1.00 0.00 O ATOM 57 CB THR A 4 2.840 -13.342 14.364 1.00 0.00 C ATOM 58 OG1 THR A 4 2.635 -14.437 13.458 1.00 0.00 O ATOM 59 CG2 THR A 4 2.088 -12.118 13.858 1.00 0.00 C ATOM 0 H THR A 4 5.093 -14.518 15.778 1.00 0.00 H new ATOM 0 HA THR A 4 4.701 -12.662 13.540 1.00 0.00 H new ATOM 0 HB THR A 4 2.456 -13.602 15.350 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.676 -14.621 13.379 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.027 -12.352 13.774 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.223 -11.293 14.557 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.475 -11.832 12.880 1.00 0.00 H new ATOM 67 N ASP A 5 5.565 -11.154 15.378 1.00 0.00 N ATOM 68 CA ASP A 5 5.874 -10.099 16.329 1.00 0.00 C ATOM 69 C ASP A 5 5.068 -8.844 16.002 1.00 0.00 C ATOM 70 O ASP A 5 4.561 -8.702 14.888 1.00 0.00 O ATOM 71 CB ASP A 5 7.382 -9.808 16.337 1.00 0.00 C ATOM 72 CG ASP A 5 7.928 -9.386 14.989 1.00 0.00 C ATOM 73 OD1 ASP A 5 7.954 -10.221 14.057 1.00 0.00 O ATOM 74 OD2 ASP A 5 8.363 -8.222 14.867 1.00 0.00 O ATOM 0 H ASP A 5 6.169 -11.171 14.556 1.00 0.00 H new ATOM 0 HA ASP A 5 5.594 -10.430 17.329 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.588 -9.023 17.064 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.913 -10.699 16.671 1.00 0.00 H new ATOM 79 N PRO A 6 4.917 -7.928 16.977 1.00 0.00 N ATOM 80 CA PRO A 6 4.066 -6.736 16.826 1.00 0.00 C ATOM 81 C PRO A 6 4.514 -5.787 15.711 1.00 0.00 C ATOM 82 O PRO A 6 3.769 -4.883 15.328 1.00 0.00 O ATOM 83 CB PRO A 6 4.150 -6.042 18.191 1.00 0.00 C ATOM 84 CG PRO A 6 5.358 -6.609 18.855 1.00 0.00 C ATOM 85 CD PRO A 6 5.538 -7.997 18.312 1.00 0.00 C ATOM 0 HA PRO A 6 3.055 -7.023 16.537 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.236 -4.961 18.077 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.253 -6.229 18.782 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.236 -5.996 18.650 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.230 -6.630 19.937 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.591 -8.271 18.251 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.052 -8.741 18.943 1.00 0.00 H new ATOM 93 N ALA A 7 5.719 -5.991 15.192 1.00 0.00 N ATOM 94 CA ALA A 7 6.205 -5.196 14.074 1.00 0.00 C ATOM 95 C ALA A 7 5.760 -5.823 12.760 1.00 0.00 C ATOM 96 O ALA A 7 6.382 -6.763 12.258 1.00 0.00 O ATOM 97 CB ALA A 7 7.719 -5.058 14.121 1.00 0.00 C ATOM 0 H ALA A 7 6.374 -6.697 15.527 1.00 0.00 H new ATOM 0 HA ALA A 7 5.779 -4.195 14.148 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.056 -4.460 13.275 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.011 -4.569 15.050 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.176 -6.046 14.072 1.00 0.00 H new ATOM 103 N LYS A 8 4.665 -5.311 12.215 1.00 0.00 N ATOM 104 CA LYS A 8 4.082 -5.875 11.008 1.00 0.00 C ATOM 105 C LYS A 8 4.858 -5.430 9.778 1.00 0.00 C ATOM 106 O LYS A 8 5.206 -4.253 9.642 1.00 0.00 O ATOM 107 CB LYS A 8 2.622 -5.451 10.863 1.00 0.00 C ATOM 108 CG LYS A 8 1.789 -5.629 12.111 1.00 0.00 C ATOM 109 CD LYS A 8 1.821 -7.047 12.627 1.00 0.00 C ATOM 110 CE LYS A 8 1.167 -7.113 13.986 1.00 0.00 C ATOM 111 NZ LYS A 8 -0.301 -6.884 13.912 1.00 0.00 N ATOM 0 H LYS A 8 4.163 -4.506 12.590 1.00 0.00 H new ATOM 0 HA LYS A 8 4.133 -6.961 11.092 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.589 -4.403 10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.169 -6.025 10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.153 -4.955 12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.758 -5.345 11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.303 -7.708 11.932 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.851 -7.397 12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.359 -8.088 14.433 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.617 -6.367 14.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.719 -7.005 14.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.485 -5.918 13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.726 -7.569 13.255 1.00 0.00 H new ATOM 125 N LEU A 9 5.109 -6.362 8.877 1.00 0.00 N ATOM 126 CA LEU A 9 5.875 -6.067 7.680 1.00 0.00 C ATOM 127 C LEU A 9 4.972 -6.028 6.456 1.00 0.00 C ATOM 128 O LEU A 9 4.838 -7.015 5.727 1.00 0.00 O ATOM 129 CB LEU A 9 7.003 -7.077 7.484 1.00 0.00 C ATOM 130 CG LEU A 9 8.070 -7.076 8.576 1.00 0.00 C ATOM 131 CD1 LEU A 9 9.189 -8.038 8.222 1.00 0.00 C ATOM 132 CD2 LEU A 9 8.614 -5.675 8.786 1.00 0.00 C ATOM 0 H LEU A 9 4.794 -7.329 8.951 1.00 0.00 H new ATOM 0 HA LEU A 9 6.324 -5.082 7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.569 -8.075 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.485 -6.879 6.527 1.00 0.00 H new ATOM 0 HG LEU A 9 7.613 -7.408 9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.942 -8.026 9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.785 -9.045 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.645 -7.735 7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.373 -5.693 9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.057 -5.314 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.803 -5.010 9.083 1.00 0.00 H new ATOM 144 N GLN A 10 4.325 -4.883 6.283 1.00 0.00 N ATOM 145 CA GLN A 10 3.478 -4.606 5.126 1.00 0.00 C ATOM 146 C GLN A 10 2.283 -5.546 5.024 1.00 0.00 C ATOM 147 O GLN A 10 1.989 -6.317 5.935 1.00 0.00 O ATOM 148 CB GLN A 10 4.280 -4.639 3.825 1.00 0.00 C ATOM 149 CG GLN A 10 5.155 -3.417 3.613 1.00 0.00 C ATOM 150 CD GLN A 10 6.396 -3.416 4.480 1.00 0.00 C ATOM 151 OE1 GLN A 10 6.390 -2.889 5.591 1.00 0.00 O ATOM 152 NE2 GLN A 10 7.467 -4.003 3.975 1.00 0.00 N ATOM 0 H GLN A 10 4.373 -4.111 6.948 1.00 0.00 H new ATOM 0 HA GLN A 10 3.089 -3.599 5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.908 -5.530 3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.590 -4.730 2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.451 -3.367 2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.572 -2.520 3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.427 -4.428 3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.334 -4.031 4.512 1.00 0.00 H new ATOM 161 N ILE A 11 1.587 -5.447 3.900 1.00 0.00 N ATOM 162 CA ILE A 11 0.375 -6.210 3.668 1.00 0.00 C ATOM 163 C ILE A 11 0.632 -7.385 2.731 1.00 0.00 C ATOM 164 O ILE A 11 -0.303 -8.045 2.273 1.00 0.00 O ATOM 165 CB ILE A 11 -0.737 -5.293 3.107 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.286 -4.556 1.838 1.00 0.00 C ATOM 167 CG2 ILE A 11 -1.148 -4.294 4.172 1.00 0.00 C ATOM 168 CD1 ILE A 11 -0.327 -5.401 0.585 1.00 0.00 C ATOM 0 H ILE A 11 1.848 -4.836 3.126 1.00 0.00 H new ATOM 0 HA ILE A 11 0.042 -6.617 4.623 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.587 -5.918 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.920 -3.681 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.731 -4.192 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.932 -3.646 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.522 -4.827 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.286 -3.690 4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.006 -4.807 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.330 -6.262 0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.347 -5.744 0.411 1.00 0.00 H new ATOM 180 N VAL A 12 1.907 -7.635 2.461 1.00 0.00 N ATOM 181 CA VAL A 12 2.313 -8.739 1.601 1.00 0.00 C ATOM 182 C VAL A 12 1.811 -10.069 2.149 1.00 0.00 C ATOM 183 O VAL A 12 1.543 -10.193 3.345 1.00 0.00 O ATOM 184 CB VAL A 12 3.847 -8.797 1.436 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.353 -7.537 0.753 1.00 0.00 C ATOM 186 CG2 VAL A 12 4.538 -8.998 2.780 1.00 0.00 C ATOM 0 H VAL A 12 2.683 -7.084 2.828 1.00 0.00 H new ATOM 0 HA VAL A 12 1.866 -8.562 0.623 1.00 0.00 H new ATOM 0 HB VAL A 12 4.089 -9.654 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.436 -7.592 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.893 -7.447 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.093 -6.667 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.617 -9.035 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.291 -8.170 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.201 -9.934 3.226 1.00 0.00 H new ATOM 196 N GLN A 13 1.686 -11.054 1.263 1.00 0.00 N ATOM 197 CA GLN A 13 1.126 -12.360 1.609 1.00 0.00 C ATOM 198 C GLN A 13 -0.352 -12.218 1.962 1.00 0.00 C ATOM 199 O GLN A 13 -0.902 -13.019 2.723 1.00 0.00 O ATOM 200 CB GLN A 13 1.899 -13.014 2.764 1.00 0.00 C ATOM 201 CG GLN A 13 3.382 -13.201 2.478 1.00 0.00 C ATOM 202 CD GLN A 13 4.100 -13.955 3.580 1.00 0.00 C ATOM 203 OE1 GLN A 13 4.204 -15.180 3.542 1.00 0.00 O ATOM 204 NE2 GLN A 13 4.597 -13.232 4.573 1.00 0.00 N ATOM 0 H GLN A 13 1.969 -10.971 0.287 1.00 0.00 H new ATOM 0 HA GLN A 13 1.222 -13.012 0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.785 -12.402 3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.455 -13.985 2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.501 -13.739 1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.849 -12.225 2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.490 -12.218 4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.086 -13.690 5.342 1.00 0.00 H new ATOM 213 N GLN A 14 -0.976 -11.185 1.385 1.00 0.00 N ATOM 214 CA GLN A 14 -2.414 -10.934 1.510 1.00 0.00 C ATOM 215 C GLN A 14 -2.794 -10.450 2.910 1.00 0.00 C ATOM 216 O GLN A 14 -2.783 -11.215 3.877 1.00 0.00 O ATOM 217 CB GLN A 14 -3.214 -12.188 1.135 1.00 0.00 C ATOM 218 CG GLN A 14 -4.722 -12.005 1.184 1.00 0.00 C ATOM 219 CD GLN A 14 -5.464 -13.287 0.866 1.00 0.00 C ATOM 220 OE1 GLN A 14 -4.968 -14.382 1.133 1.00 0.00 O ATOM 221 NE2 GLN A 14 -6.651 -13.163 0.291 1.00 0.00 N ATOM 0 H GLN A 14 -0.491 -10.494 0.813 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.666 -10.134 0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.930 -12.499 0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.936 -12.998 1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.012 -11.655 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.016 -11.231 0.474 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.025 -12.236 0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.191 -13.994 0.052 1.00 0.00 H new ATOM 230 N ARG A 15 -3.115 -9.163 3.009 1.00 0.00 N ATOM 231 CA ARG A 15 -3.597 -8.575 4.255 1.00 0.00 C ATOM 232 C ARG A 15 -4.957 -7.914 4.046 1.00 0.00 C ATOM 233 O ARG A 15 -5.551 -8.021 2.971 1.00 0.00 O ATOM 234 CB ARG A 15 -2.599 -7.558 4.815 1.00 0.00 C ATOM 235 CG ARG A 15 -1.641 -8.125 5.856 1.00 0.00 C ATOM 236 CD ARG A 15 -0.820 -9.278 5.306 1.00 0.00 C ATOM 237 NE ARG A 15 0.150 -9.783 6.275 1.00 0.00 N ATOM 238 CZ ARG A 15 0.442 -11.069 6.432 1.00 0.00 C ATOM 239 NH1 ARG A 15 -0.188 -11.995 5.712 1.00 0.00 N ATOM 240 NH2 ARG A 15 1.373 -11.427 7.308 1.00 0.00 N ATOM 0 H ARG A 15 -3.049 -8.503 2.234 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.703 -9.382 4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.018 -7.145 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.152 -6.731 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.972 -7.336 6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.208 -8.465 6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.488 -10.087 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.296 -8.951 4.408 1.00 0.00 H new ATOM 0 HE ARG A 15 0.632 -9.107 6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.899 -11.718 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.041 -12.981 5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.859 -10.716 7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.603 -12.413 7.434 1.00 0.00 H new ATOM 254 N VAL A 16 -5.445 -7.228 5.071 1.00 0.00 N ATOM 255 CA VAL A 16 -6.761 -6.600 5.009 1.00 0.00 C ATOM 256 C VAL A 16 -6.674 -5.157 4.514 1.00 0.00 C ATOM 257 O VAL A 16 -7.684 -4.462 4.434 1.00 0.00 O ATOM 258 CB VAL A 16 -7.467 -6.632 6.383 1.00 0.00 C ATOM 259 CG1 VAL A 16 -7.799 -8.063 6.777 1.00 0.00 C ATOM 260 CG2 VAL A 16 -6.609 -5.970 7.451 1.00 0.00 C ATOM 0 H VAL A 16 -4.952 -7.092 5.954 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.349 -7.178 4.296 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.397 -6.070 6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.296 -8.067 7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.459 -8.502 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.880 -8.646 6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.128 -6.006 8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.659 -6.498 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.424 -4.931 7.177 1.00 0.00 H new ATOM 270 N PHE A 17 -5.468 -4.721 4.173 1.00 0.00 N ATOM 271 CA PHE A 17 -5.256 -3.370 3.665 1.00 0.00 C ATOM 272 C PHE A 17 -4.404 -3.406 2.404 1.00 0.00 C ATOM 273 O PHE A 17 -3.934 -4.468 1.996 1.00 0.00 O ATOM 274 CB PHE A 17 -4.585 -2.482 4.719 1.00 0.00 C ATOM 275 CG PHE A 17 -5.462 -2.165 5.898 1.00 0.00 C ATOM 276 CD1 PHE A 17 -6.554 -1.320 5.759 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.195 -2.709 7.142 1.00 0.00 C ATOM 278 CE1 PHE A 17 -7.361 -1.026 6.842 1.00 0.00 C ATOM 279 CE2 PHE A 17 -5.998 -2.419 8.228 1.00 0.00 C ATOM 280 CZ PHE A 17 -7.082 -1.576 8.079 1.00 0.00 C ATOM 0 H PHE A 17 -4.620 -5.284 4.239 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.232 -2.946 3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.681 -2.977 5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.274 -1.549 4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.776 -0.888 4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.349 -3.368 7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.208 -0.367 6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.778 -2.851 9.193 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.710 -1.347 8.927 1.00 0.00 H new ATOM 290 N LEU A 18 -4.205 -2.244 1.799 1.00 0.00 N ATOM 291 CA LEU A 18 -3.434 -2.137 0.568 1.00 0.00 C ATOM 292 C LEU A 18 -2.290 -1.146 0.743 1.00 0.00 C ATOM 293 O LEU A 18 -2.098 -0.595 1.826 1.00 0.00 O ATOM 294 CB LEU A 18 -4.332 -1.708 -0.595 1.00 0.00 C ATOM 295 CG LEU A 18 -5.490 -2.661 -0.912 1.00 0.00 C ATOM 296 CD1 LEU A 18 -6.364 -2.089 -2.017 1.00 0.00 C ATOM 297 CD2 LEU A 18 -4.961 -4.032 -1.310 1.00 0.00 C ATOM 0 H LEU A 18 -4.570 -1.356 2.143 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.016 -3.117 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.744 -0.724 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.716 -1.601 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.097 -2.773 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.181 -2.779 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.772 -1.130 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.766 -1.947 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.798 -4.695 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.330 -3.936 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.376 -4.448 -0.490 1.00 0.00 H new ATOM 309 N LYS A 19 -1.520 -0.941 -0.316 1.00 0.00 N ATOM 310 CA LYS A 19 -0.375 -0.039 -0.272 1.00 0.00 C ATOM 311 C LYS A 19 -0.749 1.355 -0.761 1.00 0.00 C ATOM 312 O LYS A 19 -1.869 1.585 -1.225 1.00 0.00 O ATOM 313 CB LYS A 19 0.755 -0.586 -1.140 1.00 0.00 C ATOM 314 CG LYS A 19 1.267 -1.942 -0.697 1.00 0.00 C ATOM 315 CD LYS A 19 2.037 -1.864 0.613 1.00 0.00 C ATOM 316 CE LYS A 19 3.069 -2.980 0.708 1.00 0.00 C ATOM 317 NZ LYS A 19 3.916 -3.073 -0.516 1.00 0.00 N ATOM 0 H LYS A 19 -1.667 -1.389 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.048 0.031 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.406 -0.659 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.582 0.124 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.426 -2.626 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.912 -2.356 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.534 -0.897 0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.343 -1.933 1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.706 -2.810 1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.560 -3.930 0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.847 -3.464 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.455 -3.695 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.038 -2.125 -0.927 1.00 0.00 H new ATOM 331 N LYS A 20 0.199 2.277 -0.664 1.00 0.00 N ATOM 332 CA LYS A 20 -0.005 3.637 -1.136 1.00 0.00 C ATOM 333 C LYS A 20 0.783 3.861 -2.409 1.00 0.00 C ATOM 334 O LYS A 20 1.987 3.614 -2.455 1.00 0.00 O ATOM 335 CB LYS A 20 0.444 4.658 -0.096 1.00 0.00 C ATOM 336 CG LYS A 20 -0.040 4.353 1.307 1.00 0.00 C ATOM 337 CD LYS A 20 0.539 5.324 2.311 1.00 0.00 C ATOM 338 CE LYS A 20 2.048 5.186 2.411 1.00 0.00 C ATOM 339 NZ LYS A 20 2.610 6.158 3.383 1.00 0.00 N ATOM 0 H LYS A 20 1.120 2.105 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.071 3.769 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.533 4.705 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.083 5.644 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.129 4.401 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.241 3.335 1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.284 6.344 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.091 5.149 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.304 4.172 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.497 5.346 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.630 5.986 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.458 7.126 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.136 6.044 4.302 1.00 0.00 H new ATOM 353 N VAL A 21 0.112 4.342 -3.427 1.00 0.00 N ATOM 354 CA VAL A 21 0.750 4.573 -4.701 1.00 0.00 C ATOM 355 C VAL A 21 0.939 6.070 -4.936 1.00 0.00 C ATOM 356 O VAL A 21 0.004 6.855 -4.815 1.00 0.00 O ATOM 357 CB VAL A 21 -0.050 3.917 -5.852 1.00 0.00 C ATOM 358 CG1 VAL A 21 -1.518 4.314 -5.808 1.00 0.00 C ATOM 359 CG2 VAL A 21 0.560 4.256 -7.198 1.00 0.00 C ATOM 0 H VAL A 21 -0.879 4.582 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 21 1.735 4.106 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 21 0.004 2.837 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.049 3.835 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.953 3.995 -4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.605 5.397 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.021 3.783 -7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.553 5.337 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.587 3.892 -7.234 1.00 0.00 H new ATOM 369 N CYS A 22 2.172 6.457 -5.209 1.00 0.00 N ATOM 370 CA CYS A 22 2.505 7.839 -5.523 1.00 0.00 C ATOM 371 C CYS A 22 1.693 8.322 -6.710 1.00 0.00 C ATOM 372 O CYS A 22 1.603 7.639 -7.721 1.00 0.00 O ATOM 373 CB CYS A 22 3.996 7.922 -5.833 1.00 0.00 C ATOM 374 SG CYS A 22 4.617 9.539 -6.415 1.00 0.00 S ATOM 0 H CYS A 22 2.972 5.824 -5.220 1.00 0.00 H new ATOM 0 HA CYS A 22 2.269 8.477 -4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.548 7.648 -4.934 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.229 7.174 -6.590 1.00 0.00 H new ATOM 379 N ARG A 23 1.101 9.498 -6.594 1.00 0.00 N ATOM 380 CA ARG A 23 0.291 10.026 -7.680 1.00 0.00 C ATOM 381 C ARG A 23 1.164 10.807 -8.664 1.00 0.00 C ATOM 382 O ARG A 23 0.677 11.356 -9.651 1.00 0.00 O ATOM 383 CB ARG A 23 -0.852 10.885 -7.134 1.00 0.00 C ATOM 384 CG ARG A 23 -0.397 12.094 -6.344 1.00 0.00 C ATOM 385 CD ARG A 23 -1.567 12.776 -5.647 1.00 0.00 C ATOM 386 NE ARG A 23 -1.823 12.215 -4.316 1.00 0.00 N ATOM 387 CZ ARG A 23 -3.037 12.059 -3.785 1.00 0.00 C ATOM 388 NH1 ARG A 23 -4.129 12.335 -4.495 1.00 0.00 N ATOM 389 NH2 ARG A 23 -3.161 11.615 -2.538 1.00 0.00 N ATOM 0 H ARG A 23 1.163 10.099 -5.772 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.157 9.193 -8.221 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.469 11.221 -7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.485 10.266 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.342 11.789 -5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.094 12.803 -7.011 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.362 13.843 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.462 12.675 -6.260 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.019 11.925 -3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.042 12.669 -5.455 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.052 12.212 -4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.329 11.395 -1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.088 11.495 -2.129 1.00 0.00 H new ATOM 403 N LYS A 24 2.467 10.833 -8.384 1.00 0.00 N ATOM 404 CA LYS A 24 3.442 11.461 -9.264 1.00 0.00 C ATOM 405 C LYS A 24 4.075 10.412 -10.178 1.00 0.00 C ATOM 406 O LYS A 24 4.028 10.531 -11.401 1.00 0.00 O ATOM 407 CB LYS A 24 4.535 12.150 -8.441 1.00 0.00 C ATOM 408 CG LYS A 24 4.008 13.170 -7.446 1.00 0.00 C ATOM 409 CD LYS A 24 3.585 14.461 -8.127 1.00 0.00 C ATOM 410 CE LYS A 24 4.785 15.226 -8.664 1.00 0.00 C ATOM 411 NZ LYS A 24 4.398 16.528 -9.271 1.00 0.00 N ATOM 0 H LYS A 24 2.871 10.420 -7.543 1.00 0.00 H new ATOM 0 HA LYS A 24 2.930 12.207 -9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.102 11.391 -7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.229 12.645 -9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.159 12.748 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.778 13.386 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.900 14.235 -8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.041 15.086 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.493 15.401 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.297 14.618 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.248 17.013 -9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.742 16.362 -10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.933 17.121 -8.554 1.00 0.00 H new ATOM 425 N CYS A 25 4.653 9.374 -9.577 1.00 0.00 N ATOM 426 CA CYS A 25 5.308 8.321 -10.347 1.00 0.00 C ATOM 427 C CYS A 25 4.349 7.175 -10.609 1.00 0.00 C ATOM 428 O CYS A 25 4.356 6.564 -11.677 1.00 0.00 O ATOM 429 CB CYS A 25 6.512 7.731 -9.599 1.00 0.00 C ATOM 430 SG CYS A 25 7.580 8.932 -8.756 1.00 0.00 S ATOM 0 H CYS A 25 4.681 9.241 -8.566 1.00 0.00 H new ATOM 0 HA CYS A 25 5.636 8.783 -11.278 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.144 7.018 -8.861 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.118 7.169 -10.310 1.00 0.00 H new ATOM 435 N GLY A 26 3.518 6.899 -9.619 1.00 0.00 N ATOM 436 CA GLY A 26 2.782 5.658 -9.597 1.00 0.00 C ATOM 437 C GLY A 26 3.525 4.616 -8.790 1.00 0.00 C ATOM 438 O GLY A 26 3.248 3.420 -8.881 1.00 0.00 O ATOM 0 H GLY A 26 3.340 7.516 -8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.794 5.822 -9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.632 5.299 -10.615 1.00 0.00 H new ATOM 442 N ALA A 27 4.475 5.091 -7.991 1.00 0.00 N ATOM 443 CA ALA A 27 5.315 4.221 -7.186 1.00 0.00 C ATOM 444 C ALA A 27 4.612 3.822 -5.908 1.00 0.00 C ATOM 445 O ALA A 27 4.235 4.674 -5.102 1.00 0.00 O ATOM 446 CB ALA A 27 6.632 4.911 -6.862 1.00 0.00 C ATOM 0 H ALA A 27 4.681 6.084 -7.886 1.00 0.00 H new ATOM 0 HA ALA A 27 5.518 3.319 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.251 4.248 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.154 5.152 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.435 5.828 -6.307 1.00 0.00 H new ATOM 452 N LEU A 28 4.451 2.528 -5.723 1.00 0.00 N ATOM 453 CA LEU A 28 3.777 2.013 -4.554 1.00 0.00 C ATOM 454 C LEU A 28 4.773 1.840 -3.424 1.00 0.00 C ATOM 455 O LEU A 28 5.787 1.152 -3.570 1.00 0.00 O ATOM 456 CB LEU A 28 3.093 0.684 -4.873 1.00 0.00 C ATOM 457 CG LEU A 28 2.189 0.710 -6.106 1.00 0.00 C ATOM 458 CD1 LEU A 28 2.937 0.229 -7.341 1.00 0.00 C ATOM 459 CD2 LEU A 28 0.940 -0.123 -5.870 1.00 0.00 C ATOM 0 H LEU A 28 4.780 1.813 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 28 3.011 2.724 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.859 -0.078 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.500 0.380 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 28 1.884 1.741 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.271 0.257 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.794 0.877 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.282 -0.793 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.309 -0.092 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.224 -1.155 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.389 0.280 -5.020 1.00 0.00 H new ATOM 471 N ASN A 29 4.492 2.481 -2.308 1.00 0.00 N ATOM 472 CA ASN A 29 5.364 2.429 -1.157 1.00 0.00 C ATOM 473 C ASN A 29 4.675 1.646 -0.062 1.00 0.00 C ATOM 474 O ASN A 29 3.443 1.543 -0.056 1.00 0.00 O ATOM 475 CB ASN A 29 5.674 3.849 -0.683 1.00 0.00 C ATOM 476 CG ASN A 29 6.525 4.606 -1.680 1.00 0.00 C ATOM 477 OD1 ASN A 29 7.740 4.657 -1.556 1.00 0.00 O ATOM 478 ND2 ASN A 29 5.901 5.178 -2.698 1.00 0.00 N ATOM 0 H ASN A 29 3.656 3.050 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 29 6.302 1.939 -1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.741 4.388 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.190 3.807 0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.436 5.679 -3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.886 5.117 -2.773 1.00 0.00 H new ATOM 485 N PRO A 30 5.431 1.067 0.875 1.00 0.00 N ATOM 486 CA PRO A 30 4.836 0.330 1.970 1.00 0.00 C ATOM 487 C PRO A 30 4.020 1.253 2.853 1.00 0.00 C ATOM 488 O PRO A 30 4.282 2.454 2.925 1.00 0.00 O ATOM 489 CB PRO A 30 6.027 -0.242 2.738 1.00 0.00 C ATOM 490 CG PRO A 30 7.186 0.601 2.349 1.00 0.00 C ATOM 491 CD PRO A 30 6.901 1.095 0.952 1.00 0.00 C ATOM 0 HA PRO A 30 4.154 -0.448 1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.856 -0.204 3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.196 -1.287 2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.308 1.436 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.112 0.026 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.293 2.100 0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.355 0.453 0.198 1.00 0.00 H new ATOM 499 N ILE A 31 3.033 0.692 3.525 1.00 0.00 N ATOM 500 CA ILE A 31 2.178 1.465 4.418 1.00 0.00 C ATOM 501 C ILE A 31 2.994 2.033 5.584 1.00 0.00 C ATOM 502 O ILE A 31 2.544 2.919 6.307 1.00 0.00 O ATOM 503 CB ILE A 31 1.008 0.607 4.958 1.00 0.00 C ATOM 504 CG1 ILE A 31 1.474 -0.373 6.045 1.00 0.00 C ATOM 505 CG2 ILE A 31 0.344 -0.147 3.813 1.00 0.00 C ATOM 506 CD1 ILE A 31 2.362 -1.492 5.538 1.00 0.00 C ATOM 0 H ILE A 31 2.799 -0.299 3.472 1.00 0.00 H new ATOM 0 HA ILE A 31 1.758 2.290 3.843 1.00 0.00 H new ATOM 0 HB ILE A 31 0.283 1.280 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.013 0.183 6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.598 -0.809 6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.478 -0.748 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.041 0.565 3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.075 -0.798 3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.645 -2.137 6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.822 -2.076 4.793 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.259 -1.068 5.086 1.00 0.00 H new ATOM 518 N ARG A 32 4.210 1.513 5.734 1.00 0.00 N ATOM 519 CA ARG A 32 5.132 1.950 6.774 1.00 0.00 C ATOM 520 C ARG A 32 5.959 3.150 6.318 1.00 0.00 C ATOM 521 O ARG A 32 6.517 3.875 7.141 1.00 0.00 O ATOM 522 CB ARG A 32 6.085 0.813 7.146 1.00 0.00 C ATOM 523 CG ARG A 32 5.388 -0.462 7.582 1.00 0.00 C ATOM 524 CD ARG A 32 4.569 -0.251 8.849 1.00 0.00 C ATOM 525 NE ARG A 32 5.383 0.216 9.976 1.00 0.00 N ATOM 526 CZ ARG A 32 5.360 -0.344 11.187 1.00 0.00 C ATOM 527 NH1 ARG A 32 4.638 -1.439 11.396 1.00 0.00 N ATOM 528 NH2 ARG A 32 6.066 0.180 12.184 1.00 0.00 N ATOM 0 H ARG A 32 4.582 0.776 5.136 1.00 0.00 H new ATOM 0 HA ARG A 32 4.534 2.239 7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.721 0.592 6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.739 1.150 7.950 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.736 -0.813 6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.130 -1.242 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.780 0.474 8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.081 -1.187 9.121 1.00 0.00 H new ATOM 0 HE ARG A 32 6.001 1.013 9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.102 -1.850 10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.619 -1.869 12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.630 1.015 12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.044 -0.253 13.107 1.00 0.00 H new ATOM 542 N ALA A 33 6.043 3.352 5.008 1.00 0.00 N ATOM 543 CA ALA A 33 6.884 4.403 4.454 1.00 0.00 C ATOM 544 C ALA A 33 6.212 5.751 4.581 1.00 0.00 C ATOM 545 O ALA A 33 4.992 5.862 4.475 1.00 0.00 O ATOM 546 CB ALA A 33 7.218 4.128 3.000 1.00 0.00 C ATOM 0 H ALA A 33 5.539 2.802 4.312 1.00 0.00 H new ATOM 0 HA ALA A 33 7.812 4.416 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.847 4.930 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.750 3.180 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.297 4.077 2.419 1.00 0.00 H new ATOM 552 N THR A 34 7.015 6.770 4.784 1.00 0.00 N ATOM 553 CA THR A 34 6.509 8.102 5.004 1.00 0.00 C ATOM 554 C THR A 34 6.318 8.857 3.696 1.00 0.00 C ATOM 555 O THR A 34 5.534 9.806 3.623 1.00 0.00 O ATOM 556 CB THR A 34 7.459 8.867 5.933 1.00 0.00 C ATOM 557 OG1 THR A 34 8.816 8.658 5.507 1.00 0.00 O ATOM 558 CG2 THR A 34 7.295 8.382 7.363 1.00 0.00 C ATOM 0 H THR A 34 8.032 6.698 4.801 1.00 0.00 H new ATOM 0 HA THR A 34 5.529 8.020 5.475 1.00 0.00 H new ATOM 0 HB THR A 34 7.220 9.930 5.890 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.424 9.148 6.099 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.974 8.932 8.014 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.268 8.547 7.688 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.525 7.318 7.415 1.00 0.00 H new ATOM 566 N LYS A 35 7.017 8.428 2.655 1.00 0.00 N ATOM 567 CA LYS A 35 6.894 9.073 1.366 1.00 0.00 C ATOM 568 C LYS A 35 7.340 8.155 0.244 1.00 0.00 C ATOM 569 O LYS A 35 7.729 7.013 0.465 1.00 0.00 O ATOM 570 CB LYS A 35 7.703 10.370 1.327 1.00 0.00 C ATOM 571 CG LYS A 35 9.211 10.179 1.308 1.00 0.00 C ATOM 572 CD LYS A 35 9.923 11.511 1.462 1.00 0.00 C ATOM 573 CE LYS A 35 11.394 11.324 1.807 1.00 0.00 C ATOM 574 NZ LYS A 35 12.061 12.611 2.143 1.00 0.00 N ATOM 0 H LYS A 35 7.668 7.643 2.681 1.00 0.00 H new ATOM 0 HA LYS A 35 5.840 9.309 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.411 10.937 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.438 10.974 2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.508 9.507 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.511 9.707 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.835 12.080 0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.437 12.096 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.483 10.639 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.907 10.860 0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.060 12.435 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.000 13.256 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.590 13.042 2.963 1.00 0.00 H new ATOM 588 N CYS A 36 7.269 8.692 -0.958 1.00 0.00 N ATOM 589 CA CYS A 36 7.667 7.995 -2.165 1.00 0.00 C ATOM 590 C CYS A 36 9.148 7.675 -2.158 1.00 0.00 C ATOM 591 O CYS A 36 9.969 8.549 -1.899 1.00 0.00 O ATOM 592 CB CYS A 36 7.374 8.896 -3.337 1.00 0.00 C ATOM 593 SG CYS A 36 7.720 8.196 -4.974 1.00 0.00 S ATOM 0 H CYS A 36 6.928 9.639 -1.126 1.00 0.00 H new ATOM 0 HA CYS A 36 7.117 7.056 -2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.322 9.181 -3.299 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.956 9.811 -3.223 1.00 0.00 H new ATOM 598 N ARG A 37 9.483 6.439 -2.464 1.00 0.00 N ATOM 599 CA ARG A 37 10.875 6.035 -2.578 1.00 0.00 C ATOM 600 C ARG A 37 11.424 6.337 -3.971 1.00 0.00 C ATOM 601 O ARG A 37 12.563 6.007 -4.285 1.00 0.00 O ATOM 602 CB ARG A 37 11.020 4.544 -2.231 1.00 0.00 C ATOM 603 CG ARG A 37 10.133 3.623 -3.061 1.00 0.00 C ATOM 604 CD ARG A 37 9.760 2.367 -2.281 1.00 0.00 C ATOM 605 NE ARG A 37 8.920 1.450 -3.051 1.00 0.00 N ATOM 606 CZ ARG A 37 9.093 0.129 -3.067 1.00 0.00 C ATOM 607 NH1 ARG A 37 10.113 -0.416 -2.412 1.00 0.00 N ATOM 608 NH2 ARG A 37 8.256 -0.646 -3.744 1.00 0.00 N ATOM 0 H ARG A 37 8.811 5.692 -2.639 1.00 0.00 H new ATOM 0 HA ARG A 37 11.465 6.613 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.060 4.249 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.785 4.403 -1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.228 4.154 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.651 3.344 -3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.670 1.850 -1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.236 2.653 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 37 8.160 1.843 -3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.764 0.177 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.245 -1.427 -2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.477 -0.231 -4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.392 -1.657 -3.754 1.00 0.00 H new ATOM 622 N ARG A 38 10.609 6.981 -4.797 1.00 0.00 N ATOM 623 CA ARG A 38 11.025 7.356 -6.148 1.00 0.00 C ATOM 624 C ARG A 38 11.310 8.858 -6.250 1.00 0.00 C ATOM 625 O ARG A 38 12.327 9.257 -6.810 1.00 0.00 O ATOM 626 CB ARG A 38 9.966 6.952 -7.180 1.00 0.00 C ATOM 627 CG ARG A 38 10.164 5.573 -7.808 1.00 0.00 C ATOM 628 CD ARG A 38 10.181 4.448 -6.780 1.00 0.00 C ATOM 629 NE ARG A 38 9.817 3.161 -7.380 1.00 0.00 N ATOM 630 CZ ARG A 38 10.409 1.997 -7.101 1.00 0.00 C ATOM 631 NH1 ARG A 38 11.482 1.952 -6.320 1.00 0.00 N ATOM 632 NH2 ARG A 38 9.939 0.880 -7.640 1.00 0.00 N ATOM 0 H ARG A 38 9.656 7.256 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 38 11.948 6.818 -6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.987 6.979 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.953 7.697 -7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.365 5.389 -8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.102 5.564 -8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.174 4.375 -6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.488 4.682 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 38 9.057 3.154 -8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.863 2.812 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.926 1.057 -6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.131 0.914 -8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.385 -0.013 -7.432 1.00 0.00 H new ATOM 646 N CYS A 39 10.421 9.691 -5.708 1.00 0.00 N ATOM 647 CA CYS A 39 10.625 11.146 -5.774 1.00 0.00 C ATOM 648 C CYS A 39 10.645 11.783 -4.389 1.00 0.00 C ATOM 649 O CYS A 39 10.965 12.963 -4.261 1.00 0.00 O ATOM 650 CB CYS A 39 9.589 11.856 -6.680 1.00 0.00 C ATOM 651 SG CYS A 39 7.833 11.673 -6.191 1.00 0.00 S ATOM 0 H CYS A 39 9.570 9.397 -5.228 1.00 0.00 H new ATOM 0 HA CYS A 39 11.606 11.286 -6.229 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.829 12.919 -6.708 1.00 0.00 H new ATOM 0 HB3 CYS A 39 9.704 11.477 -7.695 1.00 0.00 H new ATOM 656 N HIS A 40 10.318 11.004 -3.347 1.00 0.00 N ATOM 657 CA HIS A 40 10.390 11.495 -1.969 1.00 0.00 C ATOM 658 C HIS A 40 9.557 12.763 -1.785 1.00 0.00 C ATOM 659 O HIS A 40 9.924 13.656 -1.031 1.00 0.00 O ATOM 660 CB HIS A 40 11.846 11.775 -1.581 1.00 0.00 C ATOM 661 CG HIS A 40 12.754 10.581 -1.663 1.00 0.00 C ATOM 662 ND1 HIS A 40 13.886 10.545 -2.444 1.00 0.00 N ATOM 663 CD2 HIS A 40 12.700 9.383 -1.037 1.00 0.00 C ATOM 664 CE1 HIS A 40 14.488 9.382 -2.291 1.00 0.00 C ATOM 665 NE2 HIS A 40 13.791 8.655 -1.440 1.00 0.00 N ATOM 0 H HIS A 40 10.003 10.038 -3.435 1.00 0.00 H new ATOM 0 HA HIS A 40 9.983 10.720 -1.320 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.237 12.558 -2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.869 12.164 -0.563 1.00 0.00 H new ATOM 0 HD2 HIS A 40 11.937 9.058 -0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 40 15.400 9.076 -2.781 1.00 0.00 H new ATOM 0 HE2 HIS A 40 14.024 7.711 -1.133 1.00 0.00 H new ATOM 674 N SER A 41 8.406 12.804 -2.432 1.00 0.00 N ATOM 675 CA SER A 41 7.613 14.027 -2.494 1.00 0.00 C ATOM 676 C SER A 41 6.382 13.921 -1.595 1.00 0.00 C ATOM 677 O SER A 41 5.504 14.776 -1.627 1.00 0.00 O ATOM 678 CB SER A 41 7.202 14.300 -3.946 1.00 0.00 C ATOM 679 OG SER A 41 6.736 15.627 -4.119 1.00 0.00 O ATOM 0 H SER A 41 7.997 12.008 -2.922 1.00 0.00 H new ATOM 0 HA SER A 41 8.218 14.859 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.053 14.125 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.421 13.599 -4.241 1.00 0.00 H new ATOM 0 HG SER A 41 6.162 15.873 -3.364 1.00 0.00 H new ATOM 685 N THR A 42 6.343 12.857 -0.789 1.00 0.00 N ATOM 686 CA THR A 42 5.245 12.596 0.153 1.00 0.00 C ATOM 687 C THR A 42 3.868 12.649 -0.517 1.00 0.00 C ATOM 688 O THR A 42 2.861 12.906 0.138 1.00 0.00 O ATOM 689 CB THR A 42 5.274 13.580 1.355 1.00 0.00 C ATOM 690 OG1 THR A 42 5.039 14.932 0.935 1.00 0.00 O ATOM 691 CG2 THR A 42 6.611 13.507 2.073 1.00 0.00 C ATOM 0 H THR A 42 7.075 12.147 -0.769 1.00 0.00 H new ATOM 0 HA THR A 42 5.405 11.582 0.518 1.00 0.00 H new ATOM 0 HB THR A 42 4.476 13.282 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.791 14.942 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.612 14.203 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.771 12.494 2.442 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.411 13.771 1.381 1.00 0.00 H new ATOM 699 N ASN A 43 3.817 12.369 -1.813 1.00 0.00 N ATOM 700 CA ASN A 43 2.566 12.481 -2.548 1.00 0.00 C ATOM 701 C ASN A 43 2.063 11.103 -2.953 1.00 0.00 C ATOM 702 O ASN A 43 2.167 10.694 -4.113 1.00 0.00 O ATOM 703 CB ASN A 43 2.745 13.383 -3.772 1.00 0.00 C ATOM 704 CG ASN A 43 1.442 14.021 -4.211 1.00 0.00 C ATOM 705 OD1 ASN A 43 0.477 14.064 -3.454 1.00 0.00 O ATOM 706 ND2 ASN A 43 1.422 14.562 -5.419 1.00 0.00 N ATOM 0 H ASN A 43 4.616 12.067 -2.370 1.00 0.00 H new ATOM 0 HA ASN A 43 1.818 12.936 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.470 14.164 -3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.156 12.798 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.583 15.037 -5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.246 14.504 -6.017 1.00 0.00 H new ATOM 713 N LEU A 44 1.557 10.375 -1.969 1.00 0.00 N ATOM 714 CA LEU A 44 1.064 9.022 -2.175 1.00 0.00 C ATOM 715 C LEU A 44 -0.447 8.989 -1.982 1.00 0.00 C ATOM 716 O LEU A 44 -1.023 9.926 -1.430 1.00 0.00 O ATOM 717 CB LEU A 44 1.733 8.069 -1.180 1.00 0.00 C ATOM 718 CG LEU A 44 3.231 8.301 -0.969 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.752 7.443 0.176 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.002 8.007 -2.243 1.00 0.00 C ATOM 0 H LEU A 44 1.477 10.705 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 44 1.303 8.705 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.228 8.159 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.584 7.045 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 44 3.379 9.349 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.819 7.623 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.223 7.701 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.588 6.390 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.065 8.178 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.843 6.968 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.652 8.663 -3.040 1.00 0.00 H new ATOM 732 N ARG A 45 -1.088 7.939 -2.465 1.00 0.00 N ATOM 733 CA ARG A 45 -2.496 7.713 -2.190 1.00 0.00 C ATOM 734 C ARG A 45 -2.710 6.272 -1.739 1.00 0.00 C ATOM 735 O ARG A 45 -2.344 5.325 -2.439 1.00 0.00 O ATOM 736 CB ARG A 45 -3.352 8.043 -3.420 1.00 0.00 C ATOM 737 CG ARG A 45 -3.015 7.219 -4.652 1.00 0.00 C ATOM 738 CD ARG A 45 -2.729 8.103 -5.854 1.00 0.00 C ATOM 739 NE ARG A 45 -2.427 7.322 -7.058 1.00 0.00 N ATOM 740 CZ ARG A 45 -3.352 6.864 -7.905 1.00 0.00 C ATOM 741 NH1 ARG A 45 -4.640 7.063 -7.661 1.00 0.00 N ATOM 742 NH2 ARG A 45 -2.980 6.205 -8.994 1.00 0.00 N ATOM 0 H ARG A 45 -0.654 7.227 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.810 8.378 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.402 7.890 -3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.232 9.100 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.147 6.593 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.844 6.550 -4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.590 8.743 -6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.888 8.759 -5.628 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.449 7.116 -7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.928 7.568 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.343 6.711 -8.311 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.990 6.049 -9.183 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.684 5.854 -9.643 1.00 0.00 H new ATOM 756 N LEU A 46 -3.252 6.118 -0.543 1.00 0.00 N ATOM 757 CA LEU A 46 -3.540 4.802 0.006 1.00 0.00 C ATOM 758 C LEU A 46 -4.789 4.241 -0.659 1.00 0.00 C ATOM 759 O LEU A 46 -5.857 4.859 -0.615 1.00 0.00 O ATOM 760 CB LEU A 46 -3.710 4.900 1.537 1.00 0.00 C ATOM 761 CG LEU A 46 -3.860 3.575 2.311 1.00 0.00 C ATOM 762 CD1 LEU A 46 -5.297 3.075 2.283 1.00 0.00 C ATOM 763 CD2 LEU A 46 -2.927 2.514 1.755 1.00 0.00 C ATOM 0 H LEU A 46 -3.503 6.893 0.071 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.711 4.124 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.848 5.432 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.588 5.513 1.742 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.588 3.771 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.368 2.139 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.950 3.818 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.604 2.909 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.052 1.589 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.163 2.335 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.895 2.855 1.842 1.00 0.00 H new ATOM 775 N LYS A 47 -4.644 3.083 -1.291 1.00 0.00 N ATOM 776 CA LYS A 47 -5.761 2.435 -1.957 1.00 0.00 C ATOM 777 C LYS A 47 -6.806 2.011 -0.932 1.00 0.00 C ATOM 778 O LYS A 47 -6.611 1.059 -0.178 1.00 0.00 O ATOM 779 CB LYS A 47 -5.274 1.238 -2.777 1.00 0.00 C ATOM 780 CG LYS A 47 -4.311 1.626 -3.888 1.00 0.00 C ATOM 781 CD LYS A 47 -3.893 0.427 -4.719 1.00 0.00 C ATOM 782 CE LYS A 47 -2.972 0.842 -5.854 1.00 0.00 C ATOM 783 NZ LYS A 47 -2.612 -0.301 -6.729 1.00 0.00 N ATOM 0 H LYS A 47 -3.762 2.575 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.224 3.144 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.785 0.526 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.134 0.729 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.781 2.369 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.427 2.094 -3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.388 -0.301 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.777 -0.064 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.458 1.615 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.064 1.281 -5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.983 0.028 -7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.125 -1.028 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.475 -0.705 -7.145 1.00 0.00 H new ATOM 797 N LYS A 48 -7.905 2.751 -0.905 1.00 0.00 N ATOM 798 CA LYS A 48 -8.937 2.574 0.104 1.00 0.00 C ATOM 799 C LYS A 48 -9.659 1.242 -0.081 1.00 0.00 C ATOM 800 O LYS A 48 -9.804 0.753 -1.207 1.00 0.00 O ATOM 801 CB LYS A 48 -9.932 3.732 0.015 1.00 0.00 C ATOM 802 CG LYS A 48 -10.712 3.977 1.290 1.00 0.00 C ATOM 803 CD LYS A 48 -9.839 4.657 2.329 1.00 0.00 C ATOM 804 CE LYS A 48 -9.473 6.077 1.913 1.00 0.00 C ATOM 805 NZ LYS A 48 -8.693 6.786 2.961 1.00 0.00 N ATOM 0 H LYS A 48 -8.105 3.489 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.470 2.567 1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.392 4.641 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.634 3.532 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.582 4.597 1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.084 3.031 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.362 4.681 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.929 4.075 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.894 6.045 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.383 6.637 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.467 7.747 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.255 6.840 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.811 6.267 3.148 1.00 0.00 H new ATOM 819 N LYS A 49 -10.109 0.659 1.024 1.00 0.00 N ATOM 820 CA LYS A 49 -10.819 -0.610 0.988 1.00 0.00 C ATOM 821 C LYS A 49 -12.247 -0.419 0.487 1.00 0.00 C ATOM 822 O LYS A 49 -13.180 -0.241 1.271 1.00 0.00 O ATOM 823 CB LYS A 49 -10.815 -1.268 2.373 1.00 0.00 C ATOM 824 CG LYS A 49 -9.495 -1.939 2.728 1.00 0.00 C ATOM 825 CD LYS A 49 -9.322 -3.256 1.985 1.00 0.00 C ATOM 826 CE LYS A 49 -10.382 -4.263 2.405 1.00 0.00 C ATOM 827 NZ LYS A 49 -10.305 -5.530 1.627 1.00 0.00 N ATOM 0 H LYS A 49 -9.993 1.049 1.959 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.302 -1.270 0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.042 -0.512 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.612 -2.010 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.669 -1.271 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.454 -2.118 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.386 -3.083 0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.330 -3.662 2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.268 -4.485 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.370 -3.821 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.213 -6.033 1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.101 -5.314 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.548 -6.129 2.013 1.00 0.00 H new ATOM 841 N GLU A 50 -12.390 -0.409 -0.833 1.00 0.00 N ATOM 842 CA GLU A 50 -13.696 -0.320 -1.475 1.00 0.00 C ATOM 843 C GLU A 50 -14.508 -1.575 -1.183 1.00 0.00 C ATOM 844 O GLU A 50 -15.693 -1.505 -0.857 1.00 0.00 O ATOM 845 CB GLU A 50 -13.516 -0.128 -2.983 1.00 0.00 C ATOM 846 CG GLU A 50 -14.813 -0.131 -3.775 1.00 0.00 C ATOM 847 CD GLU A 50 -14.588 0.183 -5.239 1.00 0.00 C ATOM 848 OE1 GLU A 50 -13.745 -0.486 -5.876 1.00 0.00 O ATOM 849 OE2 GLU A 50 -15.224 1.121 -5.755 1.00 0.00 O ATOM 0 H GLU A 50 -11.608 -0.462 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.238 0.538 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.000 0.816 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.870 -0.920 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.291 -1.106 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.499 0.601 -3.349 1.00 0.00 H new ATOM 856 N LEU A 51 -13.855 -2.722 -1.296 1.00 0.00 N ATOM 857 CA LEU A 51 -14.473 -3.984 -0.932 1.00 0.00 C ATOM 858 C LEU A 51 -14.115 -4.325 0.504 1.00 0.00 C ATOM 859 O LEU A 51 -13.047 -3.944 0.988 1.00 0.00 O ATOM 860 CB LEU A 51 -14.032 -5.119 -1.860 1.00 0.00 C ATOM 861 CG LEU A 51 -14.593 -5.073 -3.281 1.00 0.00 C ATOM 862 CD1 LEU A 51 -13.891 -4.011 -4.110 1.00 0.00 C ATOM 863 CD2 LEU A 51 -14.467 -6.437 -3.933 1.00 0.00 C ATOM 0 H LEU A 51 -12.897 -2.803 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 51 -15.553 -3.874 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.944 -5.112 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.321 -6.067 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.649 -4.807 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.309 -4.000 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.033 -3.035 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.826 -4.236 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.869 -6.395 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.417 -6.726 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.024 -7.171 -3.351 1.00 0.00 H new ATOM 875 N PRO A 52 -14.995 -5.053 1.197 1.00 0.00 N ATOM 876 CA PRO A 52 -14.805 -5.387 2.602 1.00 0.00 C ATOM 877 C PRO A 52 -13.868 -6.579 2.802 1.00 0.00 C ATOM 878 O PRO A 52 -12.965 -6.821 1.993 1.00 0.00 O ATOM 879 CB PRO A 52 -16.224 -5.712 3.067 1.00 0.00 C ATOM 880 CG PRO A 52 -16.928 -6.219 1.853 1.00 0.00 C ATOM 881 CD PRO A 52 -16.241 -5.618 0.653 1.00 0.00 C ATOM 0 HA PRO A 52 -14.333 -4.580 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -16.217 -6.461 3.859 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -16.719 -4.828 3.468 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -16.889 -7.308 1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -17.981 -5.938 1.874 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -16.038 -6.371 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -16.856 -4.849 0.185 1.00 0.00 H new ATOM 889 N THR A 53 -14.062 -7.301 3.896 1.00 0.00 N ATOM 890 CA THR A 53 -13.234 -8.452 4.206 1.00 0.00 C ATOM 891 C THR A 53 -13.908 -9.750 3.760 1.00 0.00 C ATOM 892 O THR A 53 -13.442 -10.412 2.835 1.00 0.00 O ATOM 893 CB THR A 53 -12.933 -8.520 5.717 1.00 0.00 C ATOM 894 OG1 THR A 53 -12.497 -7.233 6.182 1.00 0.00 O ATOM 895 CG2 THR A 53 -11.863 -9.558 6.018 1.00 0.00 C ATOM 0 H THR A 53 -14.789 -7.107 4.585 1.00 0.00 H new ATOM 0 HA THR A 53 -12.297 -8.337 3.661 1.00 0.00 H new ATOM 0 HB THR A 53 -13.848 -8.810 6.233 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.308 -7.279 7.143 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.672 -9.583 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.204 -10.539 5.687 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.945 -9.297 5.492 1.00 0.00 H new ATOM 903 N LYS A 54 -15.017 -10.094 4.403 1.00 0.00 N ATOM 904 CA LYS A 54 -15.695 -11.355 4.128 1.00 0.00 C ATOM 905 C LYS A 54 -17.073 -11.117 3.511 1.00 0.00 C ATOM 906 O LYS A 54 -17.689 -12.029 2.965 1.00 0.00 O ATOM 907 CB LYS A 54 -15.810 -12.176 5.418 1.00 0.00 C ATOM 908 CG LYS A 54 -16.450 -13.544 5.229 1.00 0.00 C ATOM 909 CD LYS A 54 -16.361 -14.382 6.492 1.00 0.00 C ATOM 910 CE LYS A 54 -17.122 -15.691 6.348 1.00 0.00 C ATOM 911 NZ LYS A 54 -18.596 -15.484 6.342 1.00 0.00 N ATOM 0 H LYS A 54 -15.465 -9.519 5.117 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.104 -11.916 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.815 -12.308 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.394 -11.611 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.495 -13.421 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.957 -14.067 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.315 -14.591 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.762 -13.817 7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.822 -16.184 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.853 -16.358 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.076 -16.404 6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.866 -14.889 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.877 -15.014 5.458 1.00 0.00 H new ATOM 925 N LYS A 55 -17.549 -9.882 3.586 1.00 0.00 N ATOM 926 CA LYS A 55 -18.858 -9.537 3.035 1.00 0.00 C ATOM 927 C LYS A 55 -18.734 -9.105 1.574 1.00 0.00 C ATOM 928 O LYS A 55 -19.600 -8.407 1.042 1.00 0.00 O ATOM 929 CB LYS A 55 -19.504 -8.425 3.866 1.00 0.00 C ATOM 930 CG LYS A 55 -19.700 -8.800 5.328 1.00 0.00 C ATOM 931 CD LYS A 55 -20.445 -7.719 6.098 1.00 0.00 C ATOM 932 CE LYS A 55 -19.687 -6.401 6.100 1.00 0.00 C ATOM 933 NZ LYS A 55 -20.387 -5.364 6.899 1.00 0.00 N ATOM 0 H LYS A 55 -17.053 -9.103 4.020 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.493 -10.422 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.883 -7.531 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -20.471 -8.171 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.253 -9.737 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.729 -8.972 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -21.430 -7.571 5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.604 -8.048 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.687 -6.557 6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.566 -6.050 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.840 -4.480 6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.332 -5.196 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.480 -5.688 7.883 1.00 0.00 H new ATOM 947 N GLY A 56 -17.663 -9.539 0.929 1.00 0.00 N ATOM 948 CA GLY A 56 -17.425 -9.184 -0.451 1.00 0.00 C ATOM 949 C GLY A 56 -17.062 -10.395 -1.276 1.00 0.00 C ATOM 950 O GLY A 56 -15.862 -10.732 -1.342 1.00 0.00 O ATOM 951 OXT GLY A 56 -17.980 -11.025 -1.840 1.00 0.00 O ATOM 0 H GLY A 56 -16.948 -10.137 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.316 -8.713 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.621 -8.450 -0.506 1.00 0.00 H new TER 955 GLY A 56 HETATM 956 ZN ZN A 57 6.927 9.590 -6.626 1.00 0.00 ZN