USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 283 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 GLY N :NH3+ -172:sc= 0 (180deg=-0.0568) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 13 GLN : amide:sc= -0.0956 X(o=-0.096,f=-0.096) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc=-0.00134 (180deg=-0.137) USER MOD Single : A 23 MET CE :methyl -174:sc= -0.296 (180deg=-0.433) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.112) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.8) USER MOD Single : A 32 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.133) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.780 -7.004 5.764 1.00 0.00 N ATOM 2 CA GLY A 1 0.681 -7.043 7.230 1.00 0.00 C ATOM 3 C GLY A 1 -0.376 -6.059 7.705 1.00 0.00 C ATOM 4 O GLY A 1 -1.226 -6.394 8.529 1.00 0.00 O ATOM 0 H1 GLY A 1 1.403 -7.770 5.438 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.166 -7.126 5.349 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.173 -6.088 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.426 -8.050 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.645 -6.797 7.675 1.00 0.00 H new ATOM 9 N VAL A 2 -0.287 -4.839 7.186 1.00 0.00 N ATOM 10 CA VAL A 2 -1.237 -3.779 7.547 1.00 0.00 C ATOM 11 C VAL A 2 -1.757 -3.241 6.220 1.00 0.00 C ATOM 12 O VAL A 2 -1.454 -3.796 5.166 1.00 0.00 O ATOM 13 CB VAL A 2 -0.559 -2.703 8.409 1.00 0.00 C ATOM 14 CG1 VAL A 2 -0.145 -3.284 9.760 1.00 0.00 C ATOM 15 CG2 VAL A 2 0.676 -2.106 7.735 1.00 0.00 C ATOM 0 H VAL A 2 0.428 -4.555 6.516 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.061 -4.145 8.160 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.293 -1.909 8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.334 -2.509 10.358 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.027 -3.653 10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.554 -4.105 9.604 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.117 -1.351 8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.405 -2.894 7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.388 -1.646 6.790 1.00 0.00 H new ATOM 25 N GLU A 3 -2.533 -2.171 6.236 1.00 0.00 N ATOM 26 CA GLU A 3 -3.040 -1.651 4.967 1.00 0.00 C ATOM 27 C GLU A 3 -3.486 -0.204 5.136 1.00 0.00 C ATOM 28 O GLU A 3 -3.326 0.395 6.199 1.00 0.00 O ATOM 29 CB GLU A 3 -4.195 -2.553 4.504 1.00 0.00 C ATOM 30 CG GLU A 3 -5.398 -2.576 5.452 1.00 0.00 C ATOM 31 CD GLU A 3 -6.470 -3.500 4.898 1.00 0.00 C ATOM 32 OE1 GLU A 3 -6.493 -4.712 5.102 1.00 0.00 O ATOM 33 OE2 GLU A 3 -7.396 -2.819 4.152 1.00 0.00 O ATOM 0 H GLU A 3 -2.819 -1.660 7.071 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.258 -1.659 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.529 -2.220 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.821 -3.570 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.088 -2.915 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.798 -1.569 5.571 1.00 0.00 H new ATOM 41 N ILE A 4 -4.058 0.350 4.075 1.00 0.00 N ATOM 42 CA ILE A 4 -4.535 1.738 4.121 1.00 0.00 C ATOM 43 C ILE A 4 -5.820 1.747 3.305 1.00 0.00 C ATOM 44 O ILE A 4 -6.090 0.822 2.540 1.00 0.00 O ATOM 45 CB ILE A 4 -3.523 2.750 3.562 1.00 0.00 C ATOM 46 CG1 ILE A 4 -2.890 2.259 2.256 1.00 0.00 C ATOM 47 CG2 ILE A 4 -2.450 3.058 4.608 1.00 0.00 C ATOM 48 CD1 ILE A 4 -2.168 3.388 1.522 1.00 0.00 C ATOM 0 H ILE A 4 -4.204 -0.125 3.184 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.690 2.049 5.154 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.062 3.669 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.186 1.456 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.663 1.841 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.739 3.776 4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.919 3.478 5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.926 2.140 4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.732 3.002 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.878 4.180 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.378 3.789 2.158 1.00 0.00 H new ATOM 60 N ASN A 5 -6.620 2.793 3.452 1.00 0.00 N ATOM 61 CA ASN A 5 -7.878 2.859 2.700 1.00 0.00 C ATOM 62 C ASN A 5 -7.734 3.455 1.303 1.00 0.00 C ATOM 63 O ASN A 5 -8.254 4.534 1.024 1.00 0.00 O ATOM 64 CB ASN A 5 -8.854 3.717 3.499 1.00 0.00 C ATOM 65 CG ASN A 5 -9.069 3.132 4.886 1.00 0.00 C ATOM 66 OD1 ASN A 5 -9.539 2.007 5.049 1.00 0.00 O ATOM 67 ND2 ASN A 5 -8.724 3.896 5.905 1.00 0.00 N ATOM 0 H ASN A 5 -6.435 3.588 4.064 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.229 1.836 2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.469 4.733 3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.807 3.779 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.845 3.558 6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.337 4.825 5.738 1.00 0.00 H new ATOM 74 N VAL A 6 -7.018 2.763 0.422 1.00 0.00 N ATOM 75 CA VAL A 6 -6.826 3.250 -0.951 1.00 0.00 C ATOM 76 C VAL A 6 -6.847 1.984 -1.793 1.00 0.00 C ATOM 77 O VAL A 6 -6.129 1.023 -1.519 1.00 0.00 O ATOM 78 CB VAL A 6 -5.476 3.931 -1.231 1.00 0.00 C ATOM 79 CG1 VAL A 6 -5.479 4.576 -2.618 1.00 0.00 C ATOM 80 CG2 VAL A 6 -5.086 5.028 -0.240 1.00 0.00 C ATOM 0 H VAL A 6 -6.564 1.873 0.625 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.589 4.000 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.750 3.122 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.516 5.053 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.653 3.811 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.270 5.324 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.120 5.447 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.840 5.815 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.019 4.606 0.763 1.00 0.00 H new ATOM 90 N LYS A 7 -7.682 1.985 -2.813 1.00 0.00 N ATOM 91 CA LYS A 7 -7.770 0.809 -3.681 1.00 0.00 C ATOM 92 C LYS A 7 -6.638 0.866 -4.697 1.00 0.00 C ATOM 93 O LYS A 7 -6.620 1.717 -5.585 1.00 0.00 O ATOM 94 CB LYS A 7 -9.144 0.712 -4.355 1.00 0.00 C ATOM 95 CG LYS A 7 -9.640 2.015 -4.998 1.00 0.00 C ATOM 96 CD LYS A 7 -10.720 2.715 -4.170 1.00 0.00 C ATOM 97 CE LYS A 7 -12.078 2.026 -4.306 1.00 0.00 C ATOM 98 NZ LYS A 7 -13.085 2.760 -3.528 1.00 0.00 N ATOM 0 H LYS A 7 -8.297 2.759 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.663 -0.096 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.103 -0.062 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.875 0.388 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.796 2.692 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.035 1.797 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.423 2.727 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.806 3.754 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.373 1.986 -5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.011 0.997 -3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.008 2.289 -3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.806 2.777 -2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.156 3.735 -3.884 1.00 0.00 H new ATOM 111 N CYS A 8 -5.687 -0.051 -4.570 1.00 0.00 N ATOM 112 CA CYS A 8 -4.564 -0.054 -5.511 1.00 0.00 C ATOM 113 C CYS A 8 -4.842 -0.872 -6.751 1.00 0.00 C ATOM 114 O CYS A 8 -5.576 -1.859 -6.757 1.00 0.00 O ATOM 115 CB CYS A 8 -3.300 -0.612 -4.869 1.00 0.00 C ATOM 116 SG CYS A 8 -3.624 -2.201 -4.086 1.00 0.00 S ATOM 0 H CYS A 8 -5.664 -0.778 -3.855 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.425 0.990 -5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.523 -0.726 -5.625 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.922 0.093 -4.128 1.00 0.00 H new ATOM 121 N SER A 9 -4.216 -0.399 -7.811 1.00 0.00 N ATOM 122 CA SER A 9 -4.351 -1.056 -9.110 1.00 0.00 C ATOM 123 C SER A 9 -3.149 -1.976 -9.235 1.00 0.00 C ATOM 124 O SER A 9 -3.123 -2.941 -9.997 1.00 0.00 O ATOM 125 CB SER A 9 -4.332 -0.003 -10.214 1.00 0.00 C ATOM 126 OG SER A 9 -5.437 0.874 -10.058 1.00 0.00 O ATOM 0 H SER A 9 -3.616 0.426 -7.807 1.00 0.00 H new ATOM 0 HA SER A 9 -5.285 -1.612 -9.196 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.400 0.561 -10.176 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.373 -0.485 -11.191 1.00 0.00 H new ATOM 0 HG SER A 9 -5.421 1.550 -10.767 1.00 0.00 H new ATOM 132 N GLY A 10 -2.134 -1.651 -8.455 1.00 0.00 N ATOM 133 CA GLY A 10 -0.916 -2.452 -8.477 1.00 0.00 C ATOM 134 C GLY A 10 0.006 -1.939 -7.387 1.00 0.00 C ATOM 135 O GLY A 10 -0.234 -0.879 -6.809 1.00 0.00 O ATOM 0 H GLY A 10 -2.123 -0.859 -7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.150 -3.504 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.431 -2.380 -9.451 1.00 0.00 H new ATOM 139 N SER A 11 1.036 -2.711 -7.076 1.00 0.00 N ATOM 140 CA SER A 11 1.984 -2.284 -6.032 1.00 0.00 C ATOM 141 C SER A 11 2.673 -0.906 -6.251 1.00 0.00 C ATOM 142 O SER A 11 2.732 -0.156 -5.274 1.00 0.00 O ATOM 143 CB SER A 11 2.941 -3.427 -5.721 1.00 0.00 C ATOM 144 OG SER A 11 3.847 -3.642 -6.793 1.00 0.00 O ATOM 0 H SER A 11 1.242 -3.611 -7.510 1.00 0.00 H new ATOM 0 HA SER A 11 1.393 -2.070 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.497 -3.202 -4.811 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.374 -4.339 -5.532 1.00 0.00 H new ATOM 0 HG SER A 11 4.451 -4.380 -6.567 1.00 0.00 H new ATOM 150 N PRO A 12 3.126 -0.372 -7.414 1.00 0.00 N ATOM 151 CA PRO A 12 3.740 0.968 -7.421 1.00 0.00 C ATOM 152 C PRO A 12 2.721 2.107 -7.209 1.00 0.00 C ATOM 153 O PRO A 12 3.105 3.230 -6.886 1.00 0.00 O ATOM 154 CB PRO A 12 4.455 1.073 -8.768 1.00 0.00 C ATOM 155 CG PRO A 12 3.887 -0.065 -9.606 1.00 0.00 C ATOM 156 CD PRO A 12 3.587 -1.146 -8.576 1.00 0.00 C ATOM 0 HA PRO A 12 4.429 1.084 -6.585 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.271 2.039 -9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.534 0.976 -8.650 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.988 0.240 -10.142 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.602 -0.409 -10.353 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.823 -1.839 -8.928 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.472 -1.738 -8.342 1.00 0.00 H new ATOM 164 N GLN A 13 1.416 1.848 -7.372 1.00 0.00 N ATOM 165 CA GLN A 13 0.398 2.880 -7.167 1.00 0.00 C ATOM 166 C GLN A 13 0.025 2.889 -5.671 1.00 0.00 C ATOM 167 O GLN A 13 -0.604 3.823 -5.177 1.00 0.00 O ATOM 168 CB GLN A 13 -0.811 2.534 -8.042 1.00 0.00 C ATOM 169 CG GLN A 13 -1.954 3.546 -7.934 1.00 0.00 C ATOM 170 CD GLN A 13 -1.534 4.928 -8.411 1.00 0.00 C ATOM 171 OE1 GLN A 13 -1.231 5.145 -9.583 1.00 0.00 O ATOM 172 NE2 GLN A 13 -1.512 5.882 -7.498 1.00 0.00 N ATOM 0 H GLN A 13 1.045 0.937 -7.644 1.00 0.00 H new ATOM 0 HA GLN A 13 0.758 3.871 -7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.490 2.470 -9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.182 1.548 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.802 3.200 -8.525 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.290 3.606 -6.899 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.769 5.671 -6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.238 6.830 -7.757 1.00 0.00 H new ATOM 181 N CYS A 14 0.409 1.850 -4.932 1.00 0.00 N ATOM 182 CA CYS A 14 0.099 1.800 -3.504 1.00 0.00 C ATOM 183 C CYS A 14 1.156 2.644 -2.820 1.00 0.00 C ATOM 184 O CYS A 14 0.889 3.388 -1.875 1.00 0.00 O ATOM 185 CB CYS A 14 0.369 0.412 -2.926 1.00 0.00 C ATOM 186 SG CYS A 14 0.559 0.646 -1.159 1.00 0.00 S ATOM 0 H CYS A 14 0.925 1.046 -5.289 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.938 2.103 -3.364 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.454 -0.269 -3.144 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.268 -0.025 -3.361 1.00 0.00 H new ATOM 191 N LEU A 15 2.365 2.347 -3.291 1.00 0.00 N ATOM 192 CA LEU A 15 3.606 2.983 -2.839 1.00 0.00 C ATOM 193 C LEU A 15 3.510 4.475 -2.612 1.00 0.00 C ATOM 194 O LEU A 15 3.913 4.943 -1.547 1.00 0.00 O ATOM 195 CB LEU A 15 4.703 2.632 -3.853 1.00 0.00 C ATOM 196 CG LEU A 15 6.118 3.098 -3.485 1.00 0.00 C ATOM 197 CD1 LEU A 15 6.642 2.398 -2.232 1.00 0.00 C ATOM 198 CD2 LEU A 15 7.050 2.762 -4.646 1.00 0.00 C ATOM 0 H LEU A 15 2.515 1.643 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 15 3.842 2.591 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.719 1.550 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.435 3.067 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 15 6.084 4.170 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.646 2.757 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.983 2.615 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.671 1.322 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.063 3.085 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.044 1.686 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.710 3.275 -5.546 1.00 0.00 H new ATOM 210 N LYS A 16 3.146 5.160 -3.697 1.00 0.00 N ATOM 211 CA LYS A 16 2.988 6.632 -3.679 1.00 0.00 C ATOM 212 C LYS A 16 2.217 7.142 -2.426 1.00 0.00 C ATOM 213 O LYS A 16 2.816 7.928 -1.694 1.00 0.00 O ATOM 214 CB LYS A 16 2.582 7.189 -5.059 1.00 0.00 C ATOM 215 CG LYS A 16 3.606 6.839 -6.138 1.00 0.00 C ATOM 216 CD LYS A 16 3.233 7.515 -7.454 1.00 0.00 C ATOM 217 CE LYS A 16 4.256 7.175 -8.535 1.00 0.00 C ATOM 218 NZ LYS A 16 3.883 7.832 -9.796 1.00 0.00 N ATOM 0 H LYS A 16 2.953 4.729 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 16 3.965 7.090 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.608 6.789 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.476 8.272 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.600 7.159 -5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.647 5.758 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.241 7.191 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.186 8.595 -7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.249 7.500 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.304 6.095 -8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.582 7.598 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.943 7.501 -10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.859 8.862 -9.657 1.00 0.00 H new ATOM 231 N PRO A 17 0.997 6.730 -2.025 1.00 0.00 N ATOM 232 CA PRO A 17 0.408 7.299 -0.814 1.00 0.00 C ATOM 233 C PRO A 17 0.985 6.648 0.448 1.00 0.00 C ATOM 234 O PRO A 17 1.323 7.359 1.393 1.00 0.00 O ATOM 235 CB PRO A 17 -1.096 7.057 -0.977 1.00 0.00 C ATOM 236 CG PRO A 17 -1.231 5.935 -2.004 1.00 0.00 C ATOM 237 CD PRO A 17 -0.020 6.138 -2.906 1.00 0.00 C ATOM 0 HA PRO A 17 0.629 8.359 -0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.551 6.774 -0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.602 7.960 -1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.220 4.953 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.165 6.010 -2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.322 5.194 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.253 6.797 -3.742 1.00 0.00 H new ATOM 245 N CYS A 18 0.973 5.311 0.503 1.00 0.00 N ATOM 246 CA CYS A 18 1.499 4.544 1.654 1.00 0.00 C ATOM 247 C CYS A 18 2.849 4.991 2.223 1.00 0.00 C ATOM 248 O CYS A 18 3.009 5.199 3.422 1.00 0.00 O ATOM 249 CB CYS A 18 1.487 3.037 1.387 1.00 0.00 C ATOM 250 SG CYS A 18 0.749 2.244 2.836 1.00 0.00 S ATOM 0 H CYS A 18 0.601 4.725 -0.244 1.00 0.00 H new ATOM 0 HA CYS A 18 0.791 4.782 2.448 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.912 2.810 0.489 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.499 2.668 1.220 1.00 0.00 H new ATOM 255 N LYS A 19 3.813 5.273 1.358 1.00 0.00 N ATOM 256 CA LYS A 19 5.127 5.702 1.850 1.00 0.00 C ATOM 257 C LYS A 19 5.145 7.193 2.195 1.00 0.00 C ATOM 258 O LYS A 19 6.021 7.648 2.930 1.00 0.00 O ATOM 259 CB LYS A 19 6.160 5.377 0.770 1.00 0.00 C ATOM 260 CG LYS A 19 7.590 5.587 1.263 1.00 0.00 C ATOM 261 CD LYS A 19 8.582 5.161 0.182 1.00 0.00 C ATOM 262 CE LYS A 19 10.025 5.435 0.605 1.00 0.00 C ATOM 263 NZ LYS A 19 10.393 4.602 1.759 1.00 0.00 N ATOM 0 H LYS A 19 3.723 5.217 0.343 1.00 0.00 H new ATOM 0 HA LYS A 19 5.363 5.171 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.036 4.343 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.982 6.005 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.745 6.635 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.759 5.009 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.459 4.098 -0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.365 5.696 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.699 5.231 -0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.142 6.489 0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.417 4.674 1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.880 4.931 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.142 3.611 1.566 1.00 0.00 H new ATOM 276 N ASP A 20 4.160 7.931 1.685 1.00 0.00 N ATOM 277 CA ASP A 20 4.040 9.370 1.939 1.00 0.00 C ATOM 278 C ASP A 20 2.884 9.613 2.917 1.00 0.00 C ATOM 279 O ASP A 20 2.308 10.698 2.998 1.00 0.00 O ATOM 280 CB ASP A 20 3.828 10.080 0.601 1.00 0.00 C ATOM 281 CG ASP A 20 3.998 11.587 0.724 1.00 0.00 C ATOM 282 OD1 ASP A 20 5.038 12.123 1.102 1.00 0.00 O ATOM 283 OD2 ASP A 20 2.860 12.260 0.366 1.00 0.00 O ATOM 0 H ASP A 20 3.425 7.553 1.087 1.00 0.00 H new ATOM 0 HA ASP A 20 4.945 9.770 2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.537 9.693 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.829 9.857 0.226 1.00 0.00 H new ATOM 289 N ALA A 21 2.597 8.588 3.706 1.00 0.00 N ATOM 290 CA ALA A 21 1.513 8.698 4.689 1.00 0.00 C ATOM 291 C ALA A 21 1.750 7.818 5.910 1.00 0.00 C ATOM 292 O ALA A 21 0.822 7.259 6.492 1.00 0.00 O ATOM 293 CB ALA A 21 0.169 8.307 4.077 1.00 0.00 C ATOM 0 H ALA A 21 3.081 7.690 3.693 1.00 0.00 H new ATOM 0 HA ALA A 21 1.496 9.743 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.614 8.399 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.055 8.967 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.215 7.276 3.725 1.00 0.00 H new ATOM 299 N GLY A 22 3.000 7.689 6.315 1.00 0.00 N ATOM 300 CA GLY A 22 3.285 6.868 7.493 1.00 0.00 C ATOM 301 C GLY A 22 3.372 5.362 7.290 1.00 0.00 C ATOM 302 O GLY A 22 2.825 4.603 8.089 1.00 0.00 O ATOM 0 H GLY A 22 3.811 8.121 5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.230 7.206 7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.512 7.064 8.236 1.00 0.00 H new ATOM 306 N MET A 23 4.050 4.902 6.250 1.00 0.00 N ATOM 307 CA MET A 23 4.141 3.446 6.058 1.00 0.00 C ATOM 308 C MET A 23 5.405 3.152 5.253 1.00 0.00 C ATOM 309 O MET A 23 6.094 4.092 4.859 1.00 0.00 O ATOM 310 CB MET A 23 2.841 2.916 5.448 1.00 0.00 C ATOM 311 CG MET A 23 2.398 1.572 6.012 1.00 0.00 C ATOM 312 SD MET A 23 2.138 1.674 7.791 1.00 0.00 S ATOM 313 CE MET A 23 3.348 0.429 8.251 1.00 0.00 C ATOM 0 H MET A 23 4.527 5.474 5.553 1.00 0.00 H new ATOM 0 HA MET A 23 4.240 2.911 7.002 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.049 3.647 5.613 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.969 2.822 4.370 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.477 1.254 5.524 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.152 0.815 5.794 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.288 0.242 9.323 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.143 -0.495 7.710 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.348 0.783 8.000 1.00 0.00 H new ATOM 323 N ARG A 24 5.732 1.880 5.020 1.00 0.00 N ATOM 324 CA ARG A 24 6.942 1.557 4.262 1.00 0.00 C ATOM 325 C ARG A 24 6.591 1.366 2.788 1.00 0.00 C ATOM 326 O ARG A 24 6.009 2.239 2.144 1.00 0.00 O ATOM 327 CB ARG A 24 7.599 0.401 5.037 1.00 0.00 C ATOM 328 CG ARG A 24 9.119 0.346 4.857 1.00 0.00 C ATOM 329 CD ARG A 24 9.718 -0.770 5.708 1.00 0.00 C ATOM 330 NE ARG A 24 11.167 -0.800 5.514 1.00 0.00 N ATOM 331 CZ ARG A 24 11.892 -1.698 6.163 1.00 0.00 C ATOM 332 NH1 ARG A 24 11.320 -2.565 6.981 1.00 0.00 N ATOM 333 NH2 ARG A 24 13.200 -1.729 5.991 1.00 0.00 N ATOM 0 H ARG A 24 5.192 1.075 5.336 1.00 0.00 H new ATOM 0 HA ARG A 24 7.696 2.342 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.368 0.504 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.165 -0.543 4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.361 0.181 3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.559 1.302 5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.484 -0.607 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.282 -1.729 5.429 1.00 0.00 H new ATOM 0 HE ARG A 24 11.615 -0.135 4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.309 -2.547 7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.889 -3.252 7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.647 -1.063 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.764 -2.419 6.488 1.00 0.00 H new ATOM 346 N PHE A 25 6.953 0.225 2.252 1.00 0.00 N ATOM 347 CA PHE A 25 6.667 -0.053 0.845 1.00 0.00 C ATOM 348 C PHE A 25 5.249 -0.559 0.692 1.00 0.00 C ATOM 349 O PHE A 25 4.603 -0.976 1.648 1.00 0.00 O ATOM 350 CB PHE A 25 7.619 -1.099 0.280 1.00 0.00 C ATOM 351 CG PHE A 25 9.031 -0.863 0.759 1.00 0.00 C ATOM 352 CD1 PHE A 25 9.734 0.176 0.288 1.00 0.00 C ATOM 353 CD2 PHE A 25 9.581 -1.693 1.656 1.00 0.00 C ATOM 354 CE1 PHE A 25 10.988 0.385 0.713 1.00 0.00 C ATOM 355 CE2 PHE A 25 10.835 -1.484 2.081 1.00 0.00 C ATOM 356 CZ PHE A 25 11.538 -0.445 1.610 1.00 0.00 C ATOM 0 H PHE A 25 7.438 -0.521 2.750 1.00 0.00 H new ATOM 0 HA PHE A 25 6.798 0.879 0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.291 -2.094 0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.591 -1.070 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.290 0.845 -0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.014 -2.530 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.555 1.222 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.279 -2.153 2.803 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.548 -0.276 1.953 1.00 0.00 H new ATOM 366 N GLY A 26 4.795 -0.561 -0.544 1.00 0.00 N ATOM 367 CA GLY A 26 3.436 -1.020 -0.835 1.00 0.00 C ATOM 368 C GLY A 26 3.395 -2.407 -1.447 1.00 0.00 C ATOM 369 O GLY A 26 4.260 -2.764 -2.245 1.00 0.00 O ATOM 0 H GLY A 26 5.330 -0.257 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.853 -1.018 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.959 -0.315 -1.515 1.00 0.00 H new ATOM 373 N LYS A 27 2.367 -3.173 -1.090 1.00 0.00 N ATOM 374 CA LYS A 27 2.244 -4.531 -1.653 1.00 0.00 C ATOM 375 C LYS A 27 0.750 -4.688 -1.894 1.00 0.00 C ATOM 376 O LYS A 27 -0.045 -5.022 -1.019 1.00 0.00 O ATOM 377 CB LYS A 27 2.809 -5.647 -0.766 1.00 0.00 C ATOM 378 CG LYS A 27 4.336 -5.667 -0.774 1.00 0.00 C ATOM 379 CD LYS A 27 4.853 -6.807 0.101 1.00 0.00 C ATOM 380 CE LYS A 27 6.379 -6.800 0.186 1.00 0.00 C ATOM 381 NZ LYS A 27 6.972 -7.078 -1.131 1.00 0.00 N ATOM 0 H LYS A 27 1.630 -2.899 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 27 2.843 -4.632 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.454 -5.513 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.432 -6.610 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.700 -5.788 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.721 -4.715 -0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.431 -6.719 1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.514 -7.761 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.724 -5.832 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.712 -7.548 0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.994 -7.237 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.530 -7.927 -1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.812 -6.267 -1.762 1.00 0.00 H new ATOM 394 N CYS A 28 0.368 -4.436 -3.135 1.00 0.00 N ATOM 395 CA CYS A 28 -1.045 -4.538 -3.489 1.00 0.00 C ATOM 396 C CYS A 28 -1.634 -5.931 -3.356 1.00 0.00 C ATOM 397 O CYS A 28 -1.005 -6.946 -3.650 1.00 0.00 O ATOM 398 CB CYS A 28 -1.239 -4.009 -4.900 1.00 0.00 C ATOM 399 SG CYS A 28 -2.980 -3.701 -5.245 1.00 0.00 S ATOM 0 H CYS A 28 0.991 -4.167 -3.896 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.592 -3.934 -2.765 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.672 -3.087 -5.027 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.845 -4.728 -5.618 1.00 0.00 H new ATOM 404 N MET A 29 -2.876 -5.969 -2.906 1.00 0.00 N ATOM 405 CA MET A 29 -3.523 -7.268 -2.747 1.00 0.00 C ATOM 406 C MET A 29 -5.036 -7.097 -2.702 1.00 0.00 C ATOM 407 O MET A 29 -5.564 -6.344 -1.882 1.00 0.00 O ATOM 408 CB MET A 29 -3.010 -7.916 -1.462 1.00 0.00 C ATOM 409 CG MET A 29 -3.524 -9.347 -1.308 1.00 0.00 C ATOM 410 SD MET A 29 -2.787 -10.086 0.158 1.00 0.00 S ATOM 411 CE MET A 29 -3.552 -11.713 0.068 1.00 0.00 C ATOM 0 H MET A 29 -3.440 -5.157 -2.653 1.00 0.00 H new ATOM 0 HA MET A 29 -3.285 -7.911 -3.594 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.920 -7.919 -1.466 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.324 -7.322 -0.604 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.611 -9.349 -1.224 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.272 -9.934 -2.191 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.211 -12.322 0.905 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.636 -11.608 0.113 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.272 -12.195 -0.869 1.00 0.00 H new ATOM 421 N ASN A 30 -5.703 -7.778 -3.634 1.00 0.00 N ATOM 422 CA ASN A 30 -7.173 -7.735 -3.739 1.00 0.00 C ATOM 423 C ASN A 30 -7.737 -6.321 -3.878 1.00 0.00 C ATOM 424 O ASN A 30 -8.703 -5.951 -3.210 1.00 0.00 O ATOM 425 CB ASN A 30 -7.747 -8.444 -2.513 1.00 0.00 C ATOM 426 CG ASN A 30 -9.203 -8.836 -2.718 1.00 0.00 C ATOM 427 OD1 ASN A 30 -9.823 -8.518 -3.732 1.00 0.00 O ATOM 428 ND2 ASN A 30 -9.765 -9.535 -1.750 1.00 0.00 N ATOM 0 H ASN A 30 -5.252 -8.370 -4.332 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.469 -8.242 -4.657 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.157 -9.335 -2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.665 -7.791 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.739 -9.827 -1.831 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.225 -9.784 -0.921 1.00 0.00 H new ATOM 435 N ARG A 31 -7.085 -5.513 -4.711 1.00 0.00 N ATOM 436 CA ARG A 31 -7.513 -4.125 -4.935 1.00 0.00 C ATOM 437 C ARG A 31 -7.467 -3.282 -3.657 1.00 0.00 C ATOM 438 O ARG A 31 -8.312 -2.414 -3.449 1.00 0.00 O ATOM 439 CB ARG A 31 -8.890 -4.040 -5.600 1.00 0.00 C ATOM 440 CG ARG A 31 -8.889 -4.699 -6.978 1.00 0.00 C ATOM 441 CD ARG A 31 -10.246 -4.512 -7.651 1.00 0.00 C ATOM 442 NE ARG A 31 -10.220 -5.145 -8.970 1.00 0.00 N ATOM 443 CZ ARG A 31 -11.302 -5.102 -9.732 1.00 0.00 C ATOM 444 NH1 ARG A 31 -12.400 -4.496 -9.315 1.00 0.00 N ATOM 445 NH2 ARG A 31 -11.284 -5.671 -10.923 1.00 0.00 N ATOM 0 H ARG A 31 -6.260 -5.790 -5.243 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.788 -3.700 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.632 -4.524 -4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.185 -2.995 -5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.105 -4.264 -7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.666 -5.762 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.033 -4.952 -7.039 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.474 -3.451 -7.748 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.377 -5.615 -9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.421 -4.054 -8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.226 -4.470 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.440 -6.140 -11.251 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.114 -5.641 -11.515 1.00 0.00 H new ATOM 458 N LYS A 32 -6.485 -3.508 -2.791 1.00 0.00 N ATOM 459 CA LYS A 32 -6.396 -2.725 -1.557 1.00 0.00 C ATOM 460 C LYS A 32 -4.925 -2.754 -1.188 1.00 0.00 C ATOM 461 O LYS A 32 -4.324 -3.827 -1.110 1.00 0.00 O ATOM 462 CB LYS A 32 -7.170 -3.371 -0.405 1.00 0.00 C ATOM 463 CG LYS A 32 -8.666 -3.060 -0.424 1.00 0.00 C ATOM 464 CD LYS A 32 -9.352 -3.700 0.781 1.00 0.00 C ATOM 465 CE LYS A 32 -10.834 -3.333 0.843 1.00 0.00 C ATOM 466 NZ LYS A 32 -11.555 -3.898 -0.307 1.00 0.00 N ATOM 0 H LYS A 32 -5.754 -4.209 -2.912 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.808 -1.728 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.031 -4.451 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.748 -3.031 0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.821 -1.981 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.111 -3.434 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.247 -4.784 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.857 -3.376 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.268 -3.706 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.946 -2.249 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.579 -3.786 -0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.270 -3.400 -1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.327 -4.909 -0.397 1.00 0.00 H new ATOM 479 N CYS A 33 -4.300 -1.614 -0.950 1.00 0.00 N ATOM 480 CA CYS A 33 -2.894 -1.714 -0.608 1.00 0.00 C ATOM 481 C CYS A 33 -2.584 -2.263 0.755 1.00 0.00 C ATOM 482 O CYS A 33 -2.905 -1.673 1.785 1.00 0.00 O ATOM 483 CB CYS A 33 -2.211 -0.377 -0.560 1.00 0.00 C ATOM 484 SG CYS A 33 -0.487 -0.763 -0.274 1.00 0.00 S ATOM 0 H CYS A 33 -4.704 -0.678 -0.982 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.548 -2.380 -1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.345 0.171 -1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.615 0.247 0.237 1.00 0.00 H new ATOM 489 N HIS A 34 -1.943 -3.409 0.705 1.00 0.00 N ATOM 490 CA HIS A 34 -1.542 -4.080 1.937 1.00 0.00 C ATOM 491 C HIS A 34 -0.094 -3.616 2.008 1.00 0.00 C ATOM 492 O HIS A 34 0.771 -4.150 1.318 1.00 0.00 O ATOM 493 CB HIS A 34 -1.674 -5.603 1.835 1.00 0.00 C ATOM 494 CG HIS A 34 -3.087 -6.112 2.074 1.00 0.00 C ATOM 495 ND1 HIS A 34 -3.346 -7.359 2.628 1.00 0.00 N ATOM 496 CD2 HIS A 34 -4.286 -5.447 1.760 1.00 0.00 C ATOM 497 CE1 HIS A 34 -4.719 -7.322 2.592 1.00 0.00 C ATOM 498 NE2 HIS A 34 -5.370 -6.227 2.097 1.00 0.00 N ATOM 0 H HIS A 34 -1.688 -3.895 -0.155 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.142 -3.847 2.816 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.345 -5.922 0.846 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.003 -6.066 2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.348 -4.464 1.317 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.288 -8.164 2.957 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.369 -6.041 2.004 1.00 0.00 H new ATOM 506 N CYS A 35 0.200 -2.584 2.777 1.00 0.00 N ATOM 507 CA CYS A 35 1.594 -2.144 2.826 1.00 0.00 C ATOM 508 C CYS A 35 2.411 -3.080 3.706 1.00 0.00 C ATOM 509 O CYS A 35 1.883 -4.069 4.215 1.00 0.00 O ATOM 510 CB CYS A 35 1.683 -0.699 3.267 1.00 0.00 C ATOM 511 SG CYS A 35 0.375 0.296 2.528 1.00 0.00 S ATOM 0 H CYS A 35 -0.460 -2.056 3.348 1.00 0.00 H new ATOM 0 HA CYS A 35 2.022 -2.191 1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.614 -0.644 4.353 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.654 -0.291 2.988 1.00 0.00 H new ATOM 516 N THR A 36 3.692 -2.769 3.879 1.00 0.00 N ATOM 517 CA THR A 36 4.552 -3.624 4.707 1.00 0.00 C ATOM 518 C THR A 36 4.613 -3.048 6.139 1.00 0.00 C ATOM 519 O THR A 36 4.656 -1.825 6.256 1.00 0.00 O ATOM 520 CB THR A 36 5.936 -3.572 4.061 1.00 0.00 C ATOM 521 OG1 THR A 36 5.825 -4.014 2.716 1.00 0.00 O ATOM 522 CG2 THR A 36 6.945 -4.461 4.785 1.00 0.00 C ATOM 0 H THR A 36 4.153 -1.955 3.472 1.00 0.00 H new ATOM 0 HA THR A 36 4.180 -4.647 4.769 1.00 0.00 H new ATOM 0 HB THR A 36 6.294 -2.544 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.706 -3.984 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.913 -4.391 4.289 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.042 -4.133 5.820 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.600 -5.495 4.763 1.00 0.00 H new ATOM 530 N PRO A 37 4.653 -3.780 7.262 1.00 0.00 N ATOM 531 CA PRO A 37 4.713 -3.138 8.572 1.00 0.00 C ATOM 532 C PRO A 37 6.121 -2.625 8.828 1.00 0.00 C ATOM 533 O PRO A 37 7.105 -3.355 8.725 1.00 0.00 O ATOM 534 CB PRO A 37 4.359 -4.279 9.523 1.00 0.00 C ATOM 535 CG PRO A 37 4.831 -5.532 8.793 1.00 0.00 C ATOM 536 CD PRO A 37 4.522 -5.235 7.330 1.00 0.00 C ATOM 0 HA PRO A 37 4.052 -2.278 8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.859 -4.166 10.485 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.288 -4.314 9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.895 -5.710 8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.305 -6.421 9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.220 -5.736 6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.521 -5.565 7.053 1.00 0.00 H new ATOM 544 N LYS A 38 6.228 -1.354 9.168 1.00 0.00 N ATOM 545 CA LYS A 38 7.557 -0.807 9.426 1.00 0.00 C ATOM 546 C LYS A 38 8.077 -1.383 10.734 1.00 0.00 C ATOM 547 O LYS A 38 9.233 -1.770 10.893 1.00 0.00 O ATOM 548 CB LYS A 38 7.459 0.716 9.493 1.00 0.00 C ATOM 549 CG LYS A 38 8.837 1.366 9.617 1.00 0.00 C ATOM 550 CD LYS A 38 8.700 2.887 9.585 1.00 0.00 C ATOM 551 CE LYS A 38 10.048 3.576 9.792 1.00 0.00 C ATOM 552 NZ LYS A 38 10.954 3.288 8.670 1.00 0.00 N ATOM 553 OXT LYS A 38 7.106 -1.415 11.701 1.00 0.00 O ATOM 0 H LYS A 38 5.451 -0.701 9.270 1.00 0.00 H new ATOM 0 HA LYS A 38 8.250 -1.074 8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.960 1.088 8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.843 1.004 10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.313 1.055 10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.480 1.033 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.276 3.195 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.004 3.207 10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.902 4.652 9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.497 3.236 10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.796 3.894 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.242 2.289 8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.465 3.477 7.772 1.00 0.00 H new TER 567 LYS A 38