USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 GLY N :NH3+ 145:sc= 0.025 (180deg=0) USER MOD Set 1.2: A 19 LYS NZ :NH3+ 161:sc= -0.0954 (180deg=-0.725) USER MOD Single : A 6 HIS : no HD1:sc= -2.92! C(o=-2.9!,f=-5.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= -1.34 (180deg=-2.55!) USER MOD Single : A 13 ASN : amide:sc= -1.99 K(o=-2,f=-2.9!) USER MOD Single : A 14 LYS NZ :NH3+ -109:sc= -0.881 (180deg=-3.34!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= -7.16! (180deg=-7.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 30 LYS NZ :NH3+ -106:sc= -5.43 (180deg=-8.68!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.920 -0.516 0.013 1.00 1.00 N ATOM 2 CA GLY A 1 2.512 -0.569 -1.354 1.00 1.00 C ATOM 3 C GLY A 1 1.447 -0.380 -2.437 1.00 1.00 C ATOM 4 O GLY A 1 0.285 -0.180 -2.139 1.00 1.00 O ATOM 0 H1 GLY A 1 2.426 -1.177 0.636 1.00 1.00 H new ATOM 0 H2 GLY A 1 2.005 0.449 0.391 1.00 1.00 H new ATOM 0 H3 GLY A 1 0.916 -0.783 -0.033 1.00 1.00 H new ATOM 0 HA2 GLY A 1 3.273 0.205 -1.452 1.00 1.00 H new ATOM 0 HA3 GLY A 1 3.012 -1.527 -1.498 1.00 1.00 H new ATOM 10 N ASP A 2 1.890 -0.453 -3.669 1.00 1.00 N ATOM 11 CA ASP A 2 0.998 -0.293 -4.839 1.00 1.00 C ATOM 12 C ASP A 2 1.029 -1.528 -5.712 1.00 1.00 C ATOM 13 O ASP A 2 2.067 -2.104 -5.945 1.00 1.00 O ATOM 14 CB ASP A 2 1.437 0.949 -5.644 1.00 1.00 C ATOM 15 CG ASP A 2 2.938 1.019 -6.028 1.00 1.00 C ATOM 16 OD1 ASP A 2 3.457 0.053 -6.561 1.00 1.00 O ATOM 17 OD2 ASP A 2 3.506 2.067 -5.766 1.00 1.00 O ATOM 0 H ASP A 2 2.867 -0.623 -3.909 1.00 1.00 H new ATOM 0 HA ASP A 2 -0.026 -0.158 -4.491 1.00 1.00 H new ATOM 0 HB2 ASP A 2 0.847 0.991 -6.559 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.190 1.838 -5.064 1.00 1.00 H new ATOM 22 N CYS A 3 -0.108 -1.917 -6.207 1.00 1.00 N ATOM 23 CA CYS A 3 -0.127 -3.130 -7.063 1.00 1.00 C ATOM 24 C CYS A 3 0.201 -2.727 -8.496 1.00 1.00 C ATOM 25 O CYS A 3 -0.593 -2.915 -9.400 1.00 1.00 O ATOM 26 CB CYS A 3 -1.518 -3.742 -6.925 1.00 1.00 C ATOM 27 SG CYS A 3 -2.028 -4.292 -5.274 1.00 1.00 S ATOM 0 H CYS A 3 -1.008 -1.459 -6.061 1.00 1.00 H new ATOM 0 HA CYS A 3 0.616 -3.870 -6.766 1.00 1.00 H new ATOM 0 HB2 CYS A 3 -2.245 -3.009 -7.275 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -1.578 -4.597 -7.598 1.00 1.00 H new ATOM 32 N LEU A 4 1.386 -2.174 -8.659 1.00 1.00 N ATOM 33 CA LEU A 4 1.771 -1.757 -10.046 1.00 1.00 C ATOM 34 C LEU A 4 2.022 -3.016 -10.903 1.00 1.00 C ATOM 35 O LEU A 4 2.660 -3.939 -10.434 1.00 1.00 O ATOM 36 CB LEU A 4 3.049 -0.889 -9.989 1.00 1.00 C ATOM 37 CG LEU A 4 2.727 0.556 -9.498 1.00 1.00 C ATOM 38 CD1 LEU A 4 4.053 1.339 -9.343 1.00 1.00 C ATOM 39 CD2 LEU A 4 1.834 1.315 -10.515 1.00 1.00 C ATOM 0 H LEU A 4 2.074 -2.000 -7.926 1.00 1.00 H new ATOM 0 HA LEU A 4 0.967 -1.172 -10.493 1.00 1.00 H new ATOM 0 HB2 LEU A 4 3.775 -1.350 -9.320 1.00 1.00 H new ATOM 0 HB3 LEU A 4 3.508 -0.847 -10.977 1.00 1.00 H new ATOM 0 HG LEU A 4 2.195 0.481 -8.549 1.00 1.00 H new ATOM 0 HD11 LEU A 4 3.840 2.351 -9.000 1.00 1.00 H new ATOM 0 HD12 LEU A 4 4.690 0.836 -8.615 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.565 1.382 -10.304 1.00 1.00 H new ATOM 0 HD21 LEU A 4 1.629 2.318 -10.141 1.00 1.00 H new ATOM 0 HD22 LEU A 4 2.350 1.383 -11.473 1.00 1.00 H new ATOM 0 HD23 LEU A 4 0.895 0.778 -10.646 1.00 1.00 H new ATOM 51 N PRO A 5 1.520 -3.022 -12.123 1.00 1.00 N ATOM 52 CA PRO A 5 1.433 -4.247 -12.977 1.00 1.00 C ATOM 53 C PRO A 5 2.799 -4.915 -13.154 1.00 1.00 C ATOM 54 O PRO A 5 3.177 -5.811 -12.424 1.00 1.00 O ATOM 55 CB PRO A 5 0.824 -3.733 -14.295 1.00 1.00 C ATOM 56 CG PRO A 5 1.208 -2.227 -14.304 1.00 1.00 C ATOM 57 CD PRO A 5 0.993 -1.826 -12.841 1.00 1.00 C ATOM 0 HA PRO A 5 0.822 -5.035 -12.536 1.00 1.00 H new ATOM 0 HB2 PRO A 5 1.233 -4.257 -15.158 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -0.257 -3.873 -14.320 1.00 1.00 H new ATOM 0 HG2 PRO A 5 2.239 -2.072 -14.621 1.00 1.00 H new ATOM 0 HG3 PRO A 5 0.577 -1.651 -14.981 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.538 -0.918 -12.580 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -0.058 -1.643 -12.616 1.00 1.00 H new ATOM 65 N HIS A 6 3.480 -4.422 -14.150 1.00 1.00 N ATOM 66 CA HIS A 6 4.842 -4.919 -14.502 1.00 1.00 C ATOM 67 C HIS A 6 5.829 -4.469 -13.411 1.00 1.00 C ATOM 68 O HIS A 6 5.458 -3.766 -12.492 1.00 1.00 O ATOM 69 CB HIS A 6 5.196 -4.331 -15.899 1.00 1.00 C ATOM 70 CG HIS A 6 6.637 -4.664 -16.324 1.00 1.00 C ATOM 71 ND1 HIS A 6 7.693 -4.032 -15.925 1.00 1.00 N ATOM 72 CD2 HIS A 6 7.131 -5.645 -17.166 1.00 1.00 C ATOM 73 CE1 HIS A 6 8.748 -4.558 -16.459 1.00 1.00 C ATOM 74 NE2 HIS A 6 8.445 -5.565 -17.239 1.00 1.00 N ATOM 0 H HIS A 6 3.140 -3.673 -14.753 1.00 1.00 H new ATOM 0 HA HIS A 6 4.890 -6.007 -14.554 1.00 1.00 H new ATOM 0 HB2 HIS A 6 4.501 -4.722 -16.642 1.00 1.00 H new ATOM 0 HB3 HIS A 6 5.066 -3.249 -15.879 1.00 1.00 H new ATOM 0 HD2 HIS A 6 6.527 -6.372 -17.688 1.00 1.00 H new ATOM 0 HE1 HIS A 6 9.755 -4.209 -16.283 1.00 1.00 H new ATOM 0 HE2 HIS A 6 9.080 -6.153 -17.779 1.00 1.00 H new ATOM 82 N LEU A 7 7.047 -4.918 -13.561 1.00 1.00 N ATOM 83 CA LEU A 7 8.172 -4.606 -12.634 1.00 1.00 C ATOM 84 C LEU A 7 8.540 -3.120 -12.851 1.00 1.00 C ATOM 85 O LEU A 7 9.583 -2.802 -13.390 1.00 1.00 O ATOM 86 CB LEU A 7 9.359 -5.554 -12.981 1.00 1.00 C ATOM 87 CG LEU A 7 8.892 -7.011 -13.307 1.00 1.00 C ATOM 88 CD1 LEU A 7 10.131 -7.914 -13.470 1.00 1.00 C ATOM 89 CD2 LEU A 7 7.968 -7.585 -12.214 1.00 1.00 C ATOM 0 H LEU A 7 7.319 -5.524 -14.335 1.00 1.00 H new ATOM 0 HA LEU A 7 7.911 -4.758 -11.587 1.00 1.00 H new ATOM 0 HB2 LEU A 7 9.903 -5.151 -13.836 1.00 1.00 H new ATOM 0 HB3 LEU A 7 10.056 -5.579 -12.143 1.00 1.00 H new ATOM 0 HG LEU A 7 8.318 -6.981 -14.233 1.00 1.00 H new ATOM 0 HD11 LEU A 7 9.812 -8.931 -13.697 1.00 1.00 H new ATOM 0 HD12 LEU A 7 10.751 -7.538 -14.284 1.00 1.00 H new ATOM 0 HD13 LEU A 7 10.707 -7.912 -12.544 1.00 1.00 H new ATOM 0 HD21 LEU A 7 7.670 -8.598 -12.485 1.00 1.00 H new ATOM 0 HD22 LEU A 7 8.499 -7.605 -11.262 1.00 1.00 H new ATOM 0 HD23 LEU A 7 7.081 -6.958 -12.121 1.00 1.00 H new ATOM 101 N LYS A 8 7.661 -2.250 -12.419 1.00 1.00 N ATOM 102 CA LYS A 8 7.882 -0.781 -12.570 1.00 1.00 C ATOM 103 C LYS A 8 8.996 -0.293 -11.653 1.00 1.00 C ATOM 104 O LYS A 8 9.403 -0.986 -10.740 1.00 1.00 O ATOM 105 CB LYS A 8 6.577 -0.051 -12.244 1.00 1.00 C ATOM 106 CG LYS A 8 5.492 -0.514 -13.254 1.00 1.00 C ATOM 107 CD LYS A 8 4.417 0.568 -13.419 1.00 1.00 C ATOM 108 CE LYS A 8 5.011 1.763 -14.190 1.00 1.00 C ATOM 109 NZ LYS A 8 3.972 2.805 -14.377 1.00 1.00 N ATOM 0 H LYS A 8 6.785 -2.502 -11.961 1.00 1.00 H new ATOM 0 HA LYS A 8 8.184 -0.572 -13.596 1.00 1.00 H new ATOM 0 HB2 LYS A 8 6.264 -0.271 -11.223 1.00 1.00 H new ATOM 0 HB3 LYS A 8 6.719 1.028 -12.308 1.00 1.00 H new ATOM 0 HG2 LYS A 8 5.952 -0.728 -14.219 1.00 1.00 H new ATOM 0 HG3 LYS A 8 5.034 -1.440 -12.906 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.558 0.165 -13.956 1.00 1.00 H new ATOM 0 HD3 LYS A 8 4.059 0.893 -12.442 1.00 1.00 H new ATOM 0 HE2 LYS A 8 5.859 2.176 -13.643 1.00 1.00 H new ATOM 0 HE3 LYS A 8 5.387 1.433 -15.158 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 4.377 3.609 -14.897 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 3.176 2.409 -14.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 3.634 3.129 -13.448 1.00 1.00 H new ATOM 123 N LEU A 9 9.448 0.901 -11.928 1.00 1.00 N ATOM 124 CA LEU A 9 10.524 1.510 -11.143 1.00 1.00 C ATOM 125 C LEU A 9 10.144 1.807 -9.688 1.00 1.00 C ATOM 126 O LEU A 9 8.994 2.025 -9.358 1.00 1.00 O ATOM 127 CB LEU A 9 10.931 2.787 -11.879 1.00 1.00 C ATOM 128 CG LEU A 9 9.771 3.839 -12.018 1.00 1.00 C ATOM 129 CD1 LEU A 9 10.389 5.256 -11.973 1.00 1.00 C ATOM 130 CD2 LEU A 9 9.050 3.716 -13.390 1.00 1.00 C ATOM 0 H LEU A 9 9.097 1.484 -12.688 1.00 1.00 H new ATOM 0 HA LEU A 9 11.350 0.803 -11.064 1.00 1.00 H new ATOM 0 HB2 LEU A 9 11.766 3.249 -11.351 1.00 1.00 H new ATOM 0 HB3 LEU A 9 11.290 2.523 -12.874 1.00 1.00 H new ATOM 0 HG LEU A 9 9.060 3.662 -11.211 1.00 1.00 H new ATOM 0 HD11 LEU A 9 9.599 6.001 -12.068 1.00 1.00 H new ATOM 0 HD12 LEU A 9 10.908 5.397 -11.025 1.00 1.00 H new ATOM 0 HD13 LEU A 9 11.096 5.371 -12.794 1.00 1.00 H new ATOM 0 HD21 LEU A 9 8.254 4.458 -13.451 1.00 1.00 H new ATOM 0 HD22 LEU A 9 9.766 3.885 -14.194 1.00 1.00 H new ATOM 0 HD23 LEU A 9 8.623 2.718 -13.489 1.00 1.00 H new ATOM 142 N CYS A 10 11.168 1.795 -8.875 1.00 1.00 N ATOM 143 CA CYS A 10 11.048 2.054 -7.421 1.00 1.00 C ATOM 144 C CYS A 10 12.433 2.212 -6.764 1.00 1.00 C ATOM 145 O CYS A 10 13.458 1.980 -7.385 1.00 1.00 O ATOM 146 CB CYS A 10 10.250 0.879 -6.802 1.00 1.00 C ATOM 147 SG CYS A 10 10.553 -0.775 -7.469 1.00 1.00 S ATOM 0 H CYS A 10 12.123 1.607 -9.181 1.00 1.00 H new ATOM 0 HA CYS A 10 10.523 2.993 -7.245 1.00 1.00 H new ATOM 0 HB2 CYS A 10 10.461 0.855 -5.733 1.00 1.00 H new ATOM 0 HB3 CYS A 10 9.188 1.098 -6.913 1.00 1.00 H new ATOM 152 N LYS A 11 12.380 2.612 -5.516 1.00 1.00 N ATOM 153 CA LYS A 11 13.603 2.832 -4.678 1.00 1.00 C ATOM 154 C LYS A 11 13.530 1.957 -3.403 1.00 1.00 C ATOM 155 O LYS A 11 14.544 1.642 -2.812 1.00 1.00 O ATOM 156 CB LYS A 11 13.685 4.350 -4.356 1.00 1.00 C ATOM 157 CG LYS A 11 12.746 4.815 -3.204 1.00 1.00 C ATOM 158 CD LYS A 11 13.603 5.586 -2.171 1.00 1.00 C ATOM 159 CE LYS A 11 14.647 4.634 -1.533 1.00 1.00 C ATOM 160 NZ LYS A 11 13.968 3.673 -0.623 1.00 1.00 N ATOM 0 H LYS A 11 11.506 2.802 -5.026 1.00 1.00 H new ATOM 0 HA LYS A 11 14.510 2.536 -5.206 1.00 1.00 H new ATOM 0 HB2 LYS A 11 14.713 4.598 -4.093 1.00 1.00 H new ATOM 0 HB3 LYS A 11 13.442 4.914 -5.257 1.00 1.00 H new ATOM 0 HG2 LYS A 11 11.952 5.453 -3.593 1.00 1.00 H new ATOM 0 HG3 LYS A 11 12.264 3.957 -2.735 1.00 1.00 H new ATOM 0 HD2 LYS A 11 14.109 6.421 -2.656 1.00 1.00 H new ATOM 0 HD3 LYS A 11 12.962 6.008 -1.397 1.00 1.00 H new ATOM 0 HE2 LYS A 11 15.183 4.093 -2.313 1.00 1.00 H new ATOM 0 HE3 LYS A 11 15.388 5.211 -0.979 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 14.483 3.626 0.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 12.993 3.989 -0.449 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 13.953 2.730 -1.062 1.00 1.00 H new ATOM 174 N GLU A 12 12.323 1.601 -3.025 1.00 1.00 N ATOM 175 CA GLU A 12 12.065 0.747 -1.817 1.00 1.00 C ATOM 176 C GLU A 12 11.191 -0.453 -2.225 1.00 1.00 C ATOM 177 O GLU A 12 10.421 -0.353 -3.161 1.00 1.00 O ATOM 178 CB GLU A 12 11.342 1.585 -0.750 1.00 1.00 C ATOM 179 CG GLU A 12 10.058 2.180 -1.347 1.00 1.00 C ATOM 180 CD GLU A 12 9.412 3.153 -0.349 1.00 1.00 C ATOM 181 OE1 GLU A 12 9.021 2.675 0.703 1.00 1.00 O ATOM 182 OE2 GLU A 12 9.346 4.321 -0.695 1.00 1.00 O ATOM 0 H GLU A 12 11.476 1.877 -3.522 1.00 1.00 H new ATOM 0 HA GLU A 12 13.008 0.383 -1.408 1.00 1.00 H new ATOM 0 HB2 GLU A 12 11.101 0.964 0.113 1.00 1.00 H new ATOM 0 HB3 GLU A 12 11.994 2.383 -0.396 1.00 1.00 H new ATOM 0 HG2 GLU A 12 10.287 2.700 -2.277 1.00 1.00 H new ATOM 0 HG3 GLU A 12 9.358 1.381 -1.593 1.00 1.00 H new ATOM 189 N ASN A 13 11.315 -1.550 -1.517 1.00 1.00 N ATOM 190 CA ASN A 13 10.503 -2.754 -1.851 1.00 1.00 C ATOM 191 C ASN A 13 9.010 -2.455 -1.615 1.00 1.00 C ATOM 192 O ASN A 13 8.164 -2.650 -2.479 1.00 1.00 O ATOM 193 CB ASN A 13 11.022 -3.937 -0.976 1.00 1.00 C ATOM 194 CG ASN A 13 10.811 -3.719 0.529 1.00 1.00 C ATOM 195 OD1 ASN A 13 9.744 -3.949 1.063 1.00 1.00 O ATOM 196 ND2 ASN A 13 11.805 -3.274 1.245 1.00 1.00 N ATOM 0 H ASN A 13 11.945 -1.660 -0.722 1.00 1.00 H new ATOM 0 HA ASN A 13 10.605 -3.027 -2.901 1.00 1.00 H new ATOM 0 HB2 ASN A 13 10.514 -4.853 -1.278 1.00 1.00 H new ATOM 0 HB3 ASN A 13 12.085 -4.083 -1.169 1.00 1.00 H new ATOM 0 HD21 ASN A 13 11.684 -3.121 2.246 1.00 1.00 H new ATOM 0 HD22 ASN A 13 12.704 -3.079 0.804 1.00 1.00 H new ATOM 203 N LYS A 14 8.777 -1.970 -0.417 1.00 1.00 N ATOM 204 CA LYS A 14 7.416 -1.592 0.069 1.00 1.00 C ATOM 205 C LYS A 14 6.611 -0.912 -1.037 1.00 1.00 C ATOM 206 O LYS A 14 5.401 -1.011 -1.057 1.00 1.00 O ATOM 207 CB LYS A 14 7.536 -0.636 1.275 1.00 1.00 C ATOM 208 CG LYS A 14 8.413 -1.288 2.374 1.00 1.00 C ATOM 209 CD LYS A 14 8.312 -0.550 3.739 1.00 1.00 C ATOM 210 CE LYS A 14 8.610 0.961 3.624 1.00 1.00 C ATOM 211 NZ LYS A 14 7.426 1.683 3.076 1.00 1.00 N ATOM 0 H LYS A 14 9.513 -1.815 0.272 1.00 1.00 H new ATOM 0 HA LYS A 14 6.898 -2.502 0.370 1.00 1.00 H new ATOM 0 HB2 LYS A 14 7.976 0.310 0.959 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.546 -0.410 1.672 1.00 1.00 H new ATOM 0 HG2 LYS A 14 8.112 -2.327 2.504 1.00 1.00 H new ATOM 0 HG3 LYS A 14 9.452 -1.296 2.046 1.00 1.00 H new ATOM 0 HD2 LYS A 14 7.312 -0.689 4.149 1.00 1.00 H new ATOM 0 HD3 LYS A 14 9.011 -1.001 4.444 1.00 1.00 H new ATOM 0 HE2 LYS A 14 8.868 1.363 4.604 1.00 1.00 H new ATOM 0 HE3 LYS A 14 9.473 1.120 2.977 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 7.630 1.998 2.106 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.604 1.046 3.067 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.217 2.509 3.672 1.00 1.00 H new ATOM 225 N ASP A 15 7.332 -0.243 -1.912 1.00 1.00 N ATOM 226 CA ASP A 15 6.722 0.482 -3.062 1.00 1.00 C ATOM 227 C ASP A 15 5.569 -0.285 -3.689 1.00 1.00 C ATOM 228 O ASP A 15 4.548 0.307 -3.956 1.00 1.00 O ATOM 229 CB ASP A 15 7.807 0.744 -4.137 1.00 1.00 C ATOM 230 CG ASP A 15 7.233 1.540 -5.336 1.00 1.00 C ATOM 231 OD1 ASP A 15 6.455 0.964 -6.084 1.00 1.00 O ATOM 232 OD2 ASP A 15 7.610 2.696 -5.438 1.00 1.00 O ATOM 0 H ASP A 15 8.349 -0.172 -1.868 1.00 1.00 H new ATOM 0 HA ASP A 15 6.321 1.421 -2.680 1.00 1.00 H new ATOM 0 HB2 ASP A 15 8.635 1.297 -3.694 1.00 1.00 H new ATOM 0 HB3 ASP A 15 8.210 -0.206 -4.488 1.00 1.00 H new ATOM 237 N CYS A 16 5.759 -1.562 -3.888 1.00 1.00 N ATOM 238 CA CYS A 16 4.671 -2.387 -4.511 1.00 1.00 C ATOM 239 C CYS A 16 3.884 -3.187 -3.470 1.00 1.00 C ATOM 240 O CYS A 16 4.350 -3.373 -2.367 1.00 1.00 O ATOM 241 CB CYS A 16 5.307 -3.350 -5.517 1.00 1.00 C ATOM 242 SG CYS A 16 5.113 -2.876 -7.257 1.00 1.00 S ATOM 0 H CYS A 16 6.611 -2.070 -3.650 1.00 1.00 H new ATOM 0 HA CYS A 16 3.969 -1.713 -5.002 1.00 1.00 H new ATOM 0 HB2 CYS A 16 6.371 -3.434 -5.295 1.00 1.00 H new ATOM 0 HB3 CYS A 16 4.873 -4.340 -5.375 1.00 1.00 H new ATOM 247 N CYS A 17 2.710 -3.628 -3.858 1.00 1.00 N ATOM 248 CA CYS A 17 1.814 -4.432 -2.993 1.00 1.00 C ATOM 249 C CYS A 17 2.564 -5.730 -2.657 1.00 1.00 C ATOM 250 O CYS A 17 2.493 -6.240 -1.556 1.00 1.00 O ATOM 251 CB CYS A 17 0.548 -4.727 -3.774 1.00 1.00 C ATOM 252 SG CYS A 17 -0.730 -3.459 -3.964 1.00 1.00 S ATOM 0 H CYS A 17 2.328 -3.449 -4.786 1.00 1.00 H new ATOM 0 HA CYS A 17 1.545 -3.912 -2.073 1.00 1.00 H new ATOM 0 HB2 CYS A 17 0.851 -5.031 -4.776 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.076 -5.592 -3.308 1.00 1.00 H new ATOM 257 N SER A 18 3.262 -6.209 -3.659 1.00 1.00 N ATOM 258 CA SER A 18 4.068 -7.445 -3.566 1.00 1.00 C ATOM 259 C SER A 18 5.292 -7.200 -2.666 1.00 1.00 C ATOM 260 O SER A 18 5.972 -8.125 -2.269 1.00 1.00 O ATOM 261 CB SER A 18 4.497 -7.826 -4.980 1.00 1.00 C ATOM 262 OG SER A 18 3.277 -8.088 -5.658 1.00 1.00 O ATOM 0 H SER A 18 3.300 -5.764 -4.576 1.00 1.00 H new ATOM 0 HA SER A 18 3.489 -8.257 -3.125 1.00 1.00 H new ATOM 0 HB2 SER A 18 5.053 -7.019 -5.458 1.00 1.00 H new ATOM 0 HB3 SER A 18 5.146 -8.702 -4.976 1.00 1.00 H new ATOM 0 HG SER A 18 3.466 -8.341 -6.586 1.00 1.00 H new ATOM 268 N LYS A 19 5.509 -5.937 -2.385 1.00 1.00 N ATOM 269 CA LYS A 19 6.627 -5.438 -1.534 1.00 1.00 C ATOM 270 C LYS A 19 7.979 -6.126 -1.742 1.00 1.00 C ATOM 271 O LYS A 19 8.727 -6.331 -0.804 1.00 1.00 O ATOM 272 CB LYS A 19 6.166 -5.567 -0.064 1.00 1.00 C ATOM 273 CG LYS A 19 4.969 -4.627 0.095 1.00 1.00 C ATOM 274 CD LYS A 19 4.385 -4.682 1.492 1.00 1.00 C ATOM 275 CE LYS A 19 3.319 -3.575 1.601 1.00 1.00 C ATOM 276 NZ LYS A 19 2.311 -3.712 0.508 1.00 1.00 N ATOM 0 H LYS A 19 4.913 -5.188 -2.738 1.00 1.00 H new ATOM 0 HA LYS A 19 6.823 -4.406 -1.825 1.00 1.00 H new ATOM 0 HB2 LYS A 19 5.886 -6.595 0.167 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.969 -5.293 0.621 1.00 1.00 H new ATOM 0 HG2 LYS A 19 5.278 -3.606 -0.129 1.00 1.00 H new ATOM 0 HG3 LYS A 19 4.200 -4.894 -0.630 1.00 1.00 H new ATOM 0 HD2 LYS A 19 3.942 -5.659 1.682 1.00 1.00 H new ATOM 0 HD3 LYS A 19 5.166 -4.535 2.238 1.00 1.00 H new ATOM 0 HE2 LYS A 19 2.824 -3.633 2.570 1.00 1.00 H new ATOM 0 HE3 LYS A 19 3.795 -2.596 1.544 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 1.449 -3.190 0.764 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 2.701 -3.325 -0.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 2.080 -4.717 0.373 1.00 1.00 H new ATOM 290 N LYS A 20 8.247 -6.463 -2.980 1.00 1.00 N ATOM 291 CA LYS A 20 9.541 -7.127 -3.309 1.00 1.00 C ATOM 292 C LYS A 20 10.060 -6.394 -4.538 1.00 1.00 C ATOM 293 O LYS A 20 10.241 -6.941 -5.607 1.00 1.00 O ATOM 294 CB LYS A 20 9.293 -8.650 -3.573 1.00 1.00 C ATOM 295 CG LYS A 20 8.993 -9.397 -2.249 1.00 1.00 C ATOM 296 CD LYS A 20 10.236 -9.414 -1.328 1.00 1.00 C ATOM 297 CE LYS A 20 9.904 -10.194 -0.047 1.00 1.00 C ATOM 298 NZ LYS A 20 11.090 -10.215 0.856 1.00 1.00 N ATOM 0 H LYS A 20 7.625 -6.306 -3.773 1.00 1.00 H new ATOM 0 HA LYS A 20 10.273 -7.078 -2.503 1.00 1.00 H new ATOM 0 HB2 LYS A 20 8.458 -8.773 -4.262 1.00 1.00 H new ATOM 0 HB3 LYS A 20 10.169 -9.088 -4.052 1.00 1.00 H new ATOM 0 HG2 LYS A 20 8.162 -8.914 -1.735 1.00 1.00 H new ATOM 0 HG3 LYS A 20 8.683 -10.419 -2.466 1.00 1.00 H new ATOM 0 HD2 LYS A 20 11.078 -9.877 -1.842 1.00 1.00 H new ATOM 0 HD3 LYS A 20 10.534 -8.395 -1.081 1.00 1.00 H new ATOM 0 HE2 LYS A 20 9.057 -9.732 0.461 1.00 1.00 H new ATOM 0 HE3 LYS A 20 9.609 -11.213 -0.297 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 10.859 -10.744 1.721 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 11.887 -10.675 0.371 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 11.353 -9.240 1.107 1.00 1.00 H new ATOM 312 N CYS A 21 10.292 -5.127 -4.316 1.00 1.00 N ATOM 313 CA CYS A 21 10.803 -4.237 -5.388 1.00 1.00 C ATOM 314 C CYS A 21 12.324 -4.228 -5.104 1.00 1.00 C ATOM 315 O CYS A 21 12.723 -3.931 -3.993 1.00 1.00 O ATOM 316 CB CYS A 21 10.099 -2.896 -5.200 1.00 1.00 C ATOM 317 SG CYS A 21 9.261 -2.023 -6.549 1.00 1.00 S ATOM 0 H CYS A 21 10.144 -4.667 -3.418 1.00 1.00 H new ATOM 0 HA CYS A 21 10.624 -4.524 -6.424 1.00 1.00 H new ATOM 0 HB2 CYS A 21 9.354 -3.045 -4.418 1.00 1.00 H new ATOM 0 HB3 CYS A 21 10.845 -2.208 -4.803 1.00 1.00 H new ATOM 322 N LYS A 22 13.129 -4.552 -6.095 1.00 1.00 N ATOM 323 CA LYS A 22 14.636 -4.581 -5.871 1.00 1.00 C ATOM 324 C LYS A 22 15.514 -3.933 -6.939 1.00 1.00 C ATOM 325 O LYS A 22 15.084 -3.657 -8.033 1.00 1.00 O ATOM 326 CB LYS A 22 15.204 -6.021 -5.746 1.00 1.00 C ATOM 327 CG LYS A 22 14.664 -6.821 -4.543 1.00 1.00 C ATOM 328 CD LYS A 22 13.263 -7.404 -4.786 1.00 1.00 C ATOM 329 CE LYS A 22 13.213 -8.180 -6.116 1.00 1.00 C ATOM 330 NZ LYS A 22 12.881 -7.273 -7.254 1.00 1.00 N ATOM 0 H LYS A 22 12.825 -4.795 -7.038 1.00 1.00 H new ATOM 0 HA LYS A 22 14.694 -4.000 -4.951 1.00 1.00 H new ATOM 0 HB2 LYS A 22 14.977 -6.568 -6.661 1.00 1.00 H new ATOM 0 HB3 LYS A 22 16.290 -5.964 -5.670 1.00 1.00 H new ATOM 0 HG2 LYS A 22 15.354 -7.633 -4.315 1.00 1.00 H new ATOM 0 HG3 LYS A 22 14.634 -6.173 -3.667 1.00 1.00 H new ATOM 0 HD2 LYS A 22 12.993 -8.066 -3.964 1.00 1.00 H new ATOM 0 HD3 LYS A 22 12.528 -6.599 -4.802 1.00 1.00 H new ATOM 0 HE2 LYS A 22 14.175 -8.659 -6.297 1.00 1.00 H new ATOM 0 HE3 LYS A 22 12.469 -8.974 -6.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 12.737 -7.836 -8.116 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 12.012 -6.746 -7.035 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 13.663 -6.604 -7.404 1.00 1.00 H new ATOM 344 N ARG A 23 16.753 -3.742 -6.566 1.00 1.00 N ATOM 345 CA ARG A 23 17.771 -3.113 -7.473 1.00 1.00 C ATOM 346 C ARG A 23 18.878 -4.140 -7.738 1.00 1.00 C ATOM 347 O ARG A 23 19.967 -4.080 -7.201 1.00 1.00 O ATOM 348 CB ARG A 23 18.331 -1.794 -6.787 1.00 1.00 C ATOM 349 CG ARG A 23 19.312 -1.959 -5.588 1.00 1.00 C ATOM 350 CD ARG A 23 18.835 -3.003 -4.574 1.00 1.00 C ATOM 351 NE ARG A 23 17.492 -2.606 -4.063 1.00 1.00 N ATOM 352 CZ ARG A 23 17.305 -2.419 -2.785 1.00 1.00 C ATOM 353 NH1 ARG A 23 17.569 -1.248 -2.276 1.00 1.00 N ATOM 354 NH2 ARG A 23 16.858 -3.409 -2.065 1.00 1.00 N ATOM 0 H ARG A 23 17.114 -4.001 -5.648 1.00 1.00 H new ATOM 0 HA ARG A 23 17.332 -2.827 -8.429 1.00 1.00 H new ATOM 0 HB2 ARG A 23 18.835 -1.206 -7.554 1.00 1.00 H new ATOM 0 HB3 ARG A 23 17.479 -1.207 -6.444 1.00 1.00 H new ATOM 0 HG2 ARG A 23 20.294 -2.246 -5.964 1.00 1.00 H new ATOM 0 HG3 ARG A 23 19.431 -0.999 -5.086 1.00 1.00 H new ATOM 0 HD2 ARG A 23 18.784 -3.986 -5.042 1.00 1.00 H new ATOM 0 HD3 ARG A 23 19.544 -3.078 -3.750 1.00 1.00 H new ATOM 0 HE ARG A 23 16.717 -2.480 -4.714 1.00 1.00 H new ATOM 0 HH11 ARG A 23 17.915 -0.498 -2.874 1.00 1.00 H new ATOM 0 HH12 ARG A 23 17.429 -1.082 -1.279 1.00 1.00 H new ATOM 0 HH21 ARG A 23 16.661 -4.309 -2.502 1.00 1.00 H new ATOM 0 HH22 ARG A 23 16.705 -3.284 -1.064 1.00 1.00 H new ATOM 368 N ARG A 24 18.556 -5.079 -8.591 1.00 1.00 N ATOM 369 CA ARG A 24 19.545 -6.147 -8.935 1.00 1.00 C ATOM 370 C ARG A 24 20.274 -5.698 -10.208 1.00 1.00 C ATOM 371 O ARG A 24 20.343 -6.360 -11.225 1.00 1.00 O ATOM 372 CB ARG A 24 18.771 -7.475 -9.143 1.00 1.00 C ATOM 373 CG ARG A 24 17.686 -7.714 -8.038 1.00 1.00 C ATOM 374 CD ARG A 24 18.243 -7.881 -6.592 1.00 1.00 C ATOM 375 NE ARG A 24 18.866 -6.613 -6.105 1.00 1.00 N ATOM 376 CZ ARG A 24 20.059 -6.619 -5.566 1.00 1.00 C ATOM 377 NH1 ARG A 24 21.036 -7.256 -6.153 1.00 1.00 N ATOM 378 NH2 ARG A 24 20.236 -5.979 -4.444 1.00 1.00 N ATOM 0 H ARG A 24 17.655 -5.153 -9.063 1.00 1.00 H new ATOM 0 HA ARG A 24 20.281 -6.309 -8.147 1.00 1.00 H new ATOM 0 HB2 ARG A 24 18.292 -7.464 -10.122 1.00 1.00 H new ATOM 0 HB3 ARG A 24 19.475 -8.307 -9.142 1.00 1.00 H new ATOM 0 HG2 ARG A 24 16.989 -6.876 -8.048 1.00 1.00 H new ATOM 0 HG3 ARG A 24 17.116 -8.606 -8.297 1.00 1.00 H new ATOM 0 HD2 ARG A 24 17.437 -8.175 -5.920 1.00 1.00 H new ATOM 0 HD3 ARG A 24 18.981 -8.683 -6.574 1.00 1.00 H new ATOM 0 HE ARG A 24 18.356 -5.734 -6.193 1.00 1.00 H new ATOM 0 HH11 ARG A 24 20.869 -7.748 -7.031 1.00 1.00 H new ATOM 0 HH12 ARG A 24 21.966 -7.261 -5.734 1.00 1.00 H new ATOM 0 HH21 ARG A 24 19.455 -5.490 -4.007 1.00 1.00 H new ATOM 0 HH22 ARG A 24 21.156 -5.968 -4.003 1.00 1.00 H new ATOM 392 N GLY A 25 20.795 -4.516 -10.021 1.00 1.00 N ATOM 393 CA GLY A 25 21.572 -3.735 -10.986 1.00 1.00 C ATOM 394 C GLY A 25 22.694 -3.063 -10.199 1.00 1.00 C ATOM 395 O GLY A 25 22.944 -3.396 -9.055 1.00 1.00 O ATOM 0 H GLY A 25 20.689 -4.026 -9.133 1.00 1.00 H new ATOM 0 HA2 GLY A 25 21.978 -4.377 -11.768 1.00 1.00 H new ATOM 0 HA3 GLY A 25 20.945 -2.992 -11.478 1.00 1.00 H new ATOM 399 N THR A 26 23.336 -2.130 -10.843 1.00 1.00 N ATOM 400 CA THR A 26 24.449 -1.396 -10.187 1.00 1.00 C ATOM 401 C THR A 26 23.857 -0.223 -9.391 1.00 1.00 C ATOM 402 O THR A 26 24.136 -0.069 -8.218 1.00 1.00 O ATOM 403 CB THR A 26 25.448 -0.927 -11.304 1.00 1.00 C ATOM 404 OG1 THR A 26 26.467 -0.208 -10.619 1.00 1.00 O ATOM 405 CG2 THR A 26 24.868 0.097 -12.304 1.00 1.00 C ATOM 0 H THR A 26 23.135 -1.844 -11.801 1.00 1.00 H new ATOM 0 HA THR A 26 24.999 -2.024 -9.486 1.00 1.00 H new ATOM 0 HB THR A 26 25.750 -1.814 -11.860 1.00 1.00 H new ATOM 0 HG1 THR A 26 27.130 0.114 -11.264 1.00 1.00 H new ATOM 0 HG21 THR A 26 25.630 0.361 -13.037 1.00 1.00 H new ATOM 0 HG22 THR A 26 24.009 -0.339 -12.814 1.00 1.00 H new ATOM 0 HG23 THR A 26 24.555 0.993 -11.767 1.00 1.00 H new ATOM 413 N ASN A 27 23.058 0.564 -10.060 1.00 1.00 N ATOM 414 CA ASN A 27 22.403 1.747 -9.416 1.00 1.00 C ATOM 415 C ASN A 27 21.306 1.309 -8.427 1.00 1.00 C ATOM 416 O ASN A 27 20.928 0.154 -8.382 1.00 1.00 O ATOM 417 CB ASN A 27 21.773 2.632 -10.504 1.00 1.00 C ATOM 418 CG ASN A 27 22.843 3.080 -11.506 1.00 1.00 C ATOM 419 OD1 ASN A 27 23.801 3.742 -11.162 1.00 1.00 O ATOM 420 ND2 ASN A 27 22.714 2.737 -12.758 1.00 1.00 N ATOM 0 H ASN A 27 22.825 0.437 -11.045 1.00 1.00 H new ATOM 0 HA ASN A 27 23.163 2.301 -8.865 1.00 1.00 H new ATOM 0 HB2 ASN A 27 20.987 2.081 -11.021 1.00 1.00 H new ATOM 0 HB3 ASN A 27 21.304 3.504 -10.048 1.00 1.00 H new ATOM 0 HD21 ASN A 27 23.415 3.025 -13.440 1.00 1.00 H new ATOM 0 HD22 ASN A 27 21.912 2.181 -13.054 1.00 1.00 H new ATOM 427 N ILE A 28 20.834 2.265 -7.666 1.00 1.00 N ATOM 428 CA ILE A 28 19.755 2.007 -6.657 1.00 1.00 C ATOM 429 C ILE A 28 18.450 1.747 -7.430 1.00 1.00 C ATOM 430 O ILE A 28 17.551 1.119 -6.907 1.00 1.00 O ATOM 431 CB ILE A 28 19.610 3.240 -5.745 1.00 1.00 C ATOM 432 CG1 ILE A 28 20.977 3.526 -5.054 1.00 1.00 C ATOM 433 CG2 ILE A 28 18.510 2.975 -4.673 1.00 1.00 C ATOM 434 CD1 ILE A 28 20.917 4.821 -4.217 1.00 1.00 C ATOM 0 H ILE A 28 21.156 3.232 -7.701 1.00 1.00 H new ATOM 0 HA ILE A 28 19.994 1.146 -6.032 1.00 1.00 H new ATOM 0 HB ILE A 28 19.318 4.106 -6.339 1.00 1.00 H new ATOM 0 HG12 ILE A 28 21.246 2.687 -4.412 1.00 1.00 H new ATOM 0 HG13 ILE A 28 21.758 3.613 -5.809 1.00 1.00 H new ATOM 0 HG21 ILE A 28 18.411 3.849 -4.030 1.00 1.00 H new ATOM 0 HG22 ILE A 28 17.559 2.779 -5.168 1.00 1.00 H new ATOM 0 HG23 ILE A 28 18.790 2.111 -4.070 1.00 1.00 H new ATOM 0 HD11 ILE A 28 21.885 4.995 -3.747 1.00 1.00 H new ATOM 0 HD12 ILE A 28 20.672 5.662 -4.865 1.00 1.00 H new ATOM 0 HD13 ILE A 28 20.152 4.721 -3.447 1.00 1.00 H new ATOM 446 N GLU A 29 18.407 2.256 -8.646 1.00 1.00 N ATOM 447 CA GLU A 29 17.233 2.112 -9.569 1.00 1.00 C ATOM 448 C GLU A 29 16.686 0.693 -9.399 1.00 1.00 C ATOM 449 O GLU A 29 17.324 -0.263 -9.799 1.00 1.00 O ATOM 450 CB GLU A 29 17.708 2.345 -11.018 1.00 1.00 C ATOM 451 CG GLU A 29 18.261 3.782 -11.169 1.00 1.00 C ATOM 452 CD GLU A 29 18.824 3.978 -12.590 1.00 1.00 C ATOM 453 OE1 GLU A 29 18.024 3.919 -13.511 1.00 1.00 O ATOM 454 OE2 GLU A 29 20.025 4.174 -12.678 1.00 1.00 O ATOM 0 H GLU A 29 19.177 2.789 -9.050 1.00 1.00 H new ATOM 0 HA GLU A 29 16.452 2.837 -9.342 1.00 1.00 H new ATOM 0 HB2 GLU A 29 18.480 1.620 -11.277 1.00 1.00 H new ATOM 0 HB3 GLU A 29 16.880 2.190 -11.710 1.00 1.00 H new ATOM 0 HG2 GLU A 29 17.470 4.508 -10.978 1.00 1.00 H new ATOM 0 HG3 GLU A 29 19.043 3.960 -10.430 1.00 1.00 H new ATOM 461 N LYS A 30 15.523 0.609 -8.806 1.00 1.00 N ATOM 462 CA LYS A 30 14.891 -0.717 -8.564 1.00 1.00 C ATOM 463 C LYS A 30 13.592 -0.963 -9.356 1.00 1.00 C ATOM 464 O LYS A 30 12.991 -0.041 -9.866 1.00 1.00 O ATOM 465 CB LYS A 30 14.771 -0.710 -7.013 1.00 1.00 C ATOM 466 CG LYS A 30 13.499 -1.280 -6.446 1.00 1.00 C ATOM 467 CD LYS A 30 13.353 -0.918 -4.942 1.00 1.00 C ATOM 468 CE LYS A 30 14.589 -1.255 -4.079 1.00 1.00 C ATOM 469 NZ LYS A 30 15.708 -0.297 -4.318 1.00 1.00 N ATOM 0 H LYS A 30 14.982 1.409 -8.478 1.00 1.00 H new ATOM 0 HA LYS A 30 15.464 -1.567 -8.935 1.00 1.00 H new ATOM 0 HB2 LYS A 30 15.611 -1.269 -6.601 1.00 1.00 H new ATOM 0 HB3 LYS A 30 14.871 0.318 -6.666 1.00 1.00 H new ATOM 0 HG2 LYS A 30 12.644 -0.895 -7.002 1.00 1.00 H new ATOM 0 HG3 LYS A 30 13.496 -2.363 -6.566 1.00 1.00 H new ATOM 0 HD2 LYS A 30 13.146 0.149 -4.857 1.00 1.00 H new ATOM 0 HD3 LYS A 30 12.488 -1.444 -4.537 1.00 1.00 H new ATOM 0 HE2 LYS A 30 14.313 -1.236 -3.025 1.00 1.00 H new ATOM 0 HE3 LYS A 30 14.923 -2.268 -4.303 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 16.449 -0.762 -4.881 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 15.351 0.533 -4.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 16.106 0.007 -3.406 1.00 1.00 H new ATOM 483 N ARG A 31 13.222 -2.222 -9.415 1.00 1.00 N ATOM 484 CA ARG A 31 12.014 -2.727 -10.116 1.00 1.00 C ATOM 485 C ARG A 31 11.044 -3.318 -9.087 1.00 1.00 C ATOM 486 O ARG A 31 11.429 -3.505 -7.948 1.00 1.00 O ATOM 487 CB ARG A 31 12.396 -3.819 -11.110 1.00 1.00 C ATOM 488 CG ARG A 31 13.159 -4.942 -10.370 1.00 1.00 C ATOM 489 CD ARG A 31 13.066 -6.213 -11.186 1.00 1.00 C ATOM 490 NE ARG A 31 13.872 -7.251 -10.478 1.00 1.00 N ATOM 491 CZ ARG A 31 14.895 -7.804 -11.068 1.00 1.00 C ATOM 492 NH1 ARG A 31 16.019 -7.145 -11.125 1.00 1.00 N ATOM 493 NH2 ARG A 31 14.759 -8.997 -11.578 1.00 1.00 N ATOM 0 H ARG A 31 13.758 -2.966 -8.968 1.00 1.00 H new ATOM 0 HA ARG A 31 11.546 -1.900 -10.650 1.00 1.00 H new ATOM 0 HB2 ARG A 31 11.502 -4.223 -11.585 1.00 1.00 H new ATOM 0 HB3 ARG A 31 13.018 -3.403 -11.903 1.00 1.00 H new ATOM 0 HG2 ARG A 31 14.202 -4.660 -10.228 1.00 1.00 H new ATOM 0 HG3 ARG A 31 12.733 -5.098 -9.379 1.00 1.00 H new ATOM 0 HD2 ARG A 31 12.028 -6.532 -11.284 1.00 1.00 H new ATOM 0 HD3 ARG A 31 13.447 -6.052 -12.195 1.00 1.00 H new ATOM 0 HE ARG A 31 13.622 -7.529 -9.529 1.00 1.00 H new ATOM 0 HH11 ARG A 31 16.086 -6.215 -10.712 1.00 1.00 H new ATOM 0 HH12 ARG A 31 16.831 -7.560 -11.582 1.00 1.00 H new ATOM 0 HH21 ARG A 31 13.864 -9.481 -11.511 1.00 1.00 H new ATOM 0 HH22 ARG A 31 15.548 -9.446 -12.043 1.00 1.00 H new ATOM 507 N CYS A 32 9.859 -3.608 -9.575 1.00 1.00 N ATOM 508 CA CYS A 32 8.718 -4.175 -8.780 1.00 1.00 C ATOM 509 C CYS A 32 8.297 -5.660 -8.840 1.00 1.00 C ATOM 510 O CYS A 32 7.512 -6.043 -9.685 1.00 1.00 O ATOM 511 CB CYS A 32 7.458 -3.307 -9.113 1.00 1.00 C ATOM 512 SG CYS A 32 6.842 -2.077 -7.934 1.00 1.00 S ATOM 0 H CYS A 32 9.624 -3.464 -10.557 1.00 1.00 H new ATOM 0 HA CYS A 32 9.128 -4.137 -7.771 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.668 -2.781 -10.044 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.638 -3.996 -9.314 1.00 1.00 H new ATOM 517 N ARG A 33 8.824 -6.463 -7.946 1.00 1.00 N ATOM 518 CA ARG A 33 8.459 -7.912 -7.917 1.00 1.00 C ATOM 519 C ARG A 33 7.699 -8.207 -6.591 1.00 1.00 C ATOM 520 O ARG A 33 7.526 -7.288 -5.794 1.00 1.00 O ATOM 521 CB ARG A 33 9.747 -8.752 -8.005 1.00 1.00 C ATOM 522 CG ARG A 33 10.490 -8.405 -9.304 1.00 1.00 C ATOM 523 CD ARG A 33 11.705 -9.313 -9.481 1.00 1.00 C ATOM 524 NE ARG A 33 11.228 -10.707 -9.718 1.00 1.00 N ATOM 525 CZ ARG A 33 11.510 -11.303 -10.845 1.00 1.00 C ATOM 526 NH1 ARG A 33 10.869 -10.945 -11.924 1.00 1.00 N ATOM 527 NH2 ARG A 33 12.422 -12.235 -10.854 1.00 1.00 N ATOM 528 OXT ARG A 33 7.321 -9.358 -6.443 1.00 1.00 O ATOM 0 H ARG A 33 9.494 -6.174 -7.233 1.00 1.00 H new ATOM 0 HA ARG A 33 7.816 -8.167 -8.759 1.00 1.00 H new ATOM 0 HB2 ARG A 33 10.384 -8.553 -7.143 1.00 1.00 H new ATOM 0 HB3 ARG A 33 9.504 -9.814 -7.984 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.818 -8.516 -10.155 1.00 1.00 H new ATOM 0 HG3 ARG A 33 10.807 -7.362 -9.282 1.00 1.00 H new ATOM 0 HD2 ARG A 33 12.312 -8.973 -10.320 1.00 1.00 H new ATOM 0 HD3 ARG A 33 12.338 -9.275 -8.594 1.00 1.00 H new ATOM 0 HE ARG A 33 10.685 -11.192 -9.004 1.00 1.00 H new ATOM 0 HH11 ARG A 33 10.162 -10.211 -11.877 1.00 1.00 H new ATOM 0 HH12 ARG A 33 11.075 -11.399 -12.814 1.00 1.00 H new ATOM 0 HH21 ARG A 33 12.902 -12.487 -9.990 1.00 1.00 H new ATOM 0 HH22 ARG A 33 12.656 -12.712 -11.725 1.00 1.00 H new TER 542 ARG A 33