USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 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: 1 68 ASN : amide:sc= -1.93 K(o=-13,f=-4.6) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -11.5! K(o=-13!,f=-4.6) USER MOD Set 2.1: 1 37 THR OG1 : rot -153:sc= 0.106 USER MOD Set 2.2: 1 40 SER OG : rot 128:sc= -0.543 USER MOD Single : 1 7 ASN : amide:sc= -2.67 K(o=-2.7,f=-6.3!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -3.43! K(o=-3.4!,f=-1.2) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.6) USER MOD Single : 1 43 ASN : amide:sc= -5.01 K(o=-5,f=-4.3!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 155:sc= 0.766 (180deg=0.209) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 69:sc= 1.2 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 30:sc= 0.0307 USER MOD Single : 1 77 SER OG : rot 156:sc= 0.898 USER MOD Single : 1 82 ASN : amide:sc= -1.08 K(o=-1.1,f=0.13) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 15.360 1.909 -8.144 1.00 0.00 N ATOM 29 CA PRO 1 3 14.915 2.639 -6.946 1.00 0.00 C ATOM 30 C PRO 1 3 15.022 4.160 -7.091 1.00 0.00 C ATOM 31 O PRO 1 3 15.586 4.835 -6.230 1.00 0.00 O ATOM 32 CB PRO 1 3 15.869 2.149 -5.844 1.00 0.00 C ATOM 33 CG PRO 1 3 16.554 0.950 -6.406 1.00 0.00 C ATOM 34 CD PRO 1 3 16.596 1.157 -7.888 1.00 0.00 C ATOM 0 HA PRO 1 3 13.861 2.450 -6.742 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 16.589 2.922 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 15.321 1.897 -4.936 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.559 0.848 -5.998 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 16.013 0.038 -6.154 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.481 1.716 -8.194 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.614 0.211 -8.429 1.00 0.00 H new ATOM 42 N VAL 1 4 14.480 4.695 -8.181 1.00 0.00 N ATOM 43 CA VAL 1 4 14.517 6.132 -8.434 1.00 0.00 C ATOM 44 C VAL 1 4 13.114 6.717 -8.561 1.00 0.00 C ATOM 45 O VAL 1 4 12.181 6.036 -8.988 1.00 0.00 O ATOM 46 CB VAL 1 4 15.321 6.457 -9.710 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.279 7.949 -10.013 1.00 0.00 C ATOM 48 CG2 VAL 1 4 16.757 5.980 -9.566 1.00 0.00 C ATOM 0 H VAL 1 4 14.009 4.153 -8.905 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.011 6.587 -7.575 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.863 5.930 -10.547 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 15.853 8.153 -10.917 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 14.245 8.261 -10.161 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 15.709 8.502 -9.178 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 17.312 6.216 -10.474 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 17.223 6.479 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 16.768 4.902 -9.404 1.00 0.00 H new ATOM 58 N CYS 1 5 12.979 7.994 -8.212 1.00 0.00 N ATOM 59 CA CYS 1 5 11.696 8.678 -8.315 1.00 0.00 C ATOM 60 C CYS 1 5 11.483 9.078 -9.764 1.00 0.00 C ATOM 61 O CYS 1 5 11.825 10.183 -10.185 1.00 0.00 O ATOM 62 CB CYS 1 5 11.671 9.918 -7.416 1.00 0.00 C ATOM 63 SG CYS 1 5 10.023 10.349 -6.768 1.00 0.00 S ATOM 0 H CYS 1 5 13.740 8.573 -7.857 1.00 0.00 H new ATOM 0 HA CYS 1 5 10.898 8.012 -7.988 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.347 9.756 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 12.060 10.767 -7.979 1.00 0.00 H new ATOM 68 N GLY 1 6 10.949 8.135 -10.524 1.00 0.00 N ATOM 69 CA GLY 1 6 10.721 8.336 -11.937 1.00 0.00 C ATOM 70 C GLY 1 6 11.103 7.096 -12.720 1.00 0.00 C ATOM 71 O GLY 1 6 11.498 7.173 -13.884 1.00 0.00 O ATOM 0 H GLY 1 6 10.665 7.218 -10.178 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 9.672 8.574 -12.111 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.304 9.188 -12.287 1.00 0.00 H new ATOM 75 N ASN 1 7 10.978 5.948 -12.060 1.00 0.00 N ATOM 76 CA ASN 1 7 11.298 4.659 -12.650 1.00 0.00 C ATOM 77 C ASN 1 7 10.135 3.699 -12.433 1.00 0.00 C ATOM 78 O ASN 1 7 10.254 2.496 -12.662 1.00 0.00 O ATOM 79 CB ASN 1 7 12.571 4.093 -12.010 1.00 0.00 C ATOM 80 CG ASN 1 7 13.181 2.969 -12.826 1.00 0.00 C ATOM 81 OD1 ASN 1 7 12.640 1.865 -12.885 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.314 3.247 -13.460 1.00 0.00 N ATOM 0 H ASN 1 7 10.650 5.889 -11.096 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.468 4.783 -13.720 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.303 4.893 -11.895 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.339 3.727 -11.010 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.771 2.531 -14.024 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.727 4.176 -13.383 1.00 0.00 H new ATOM 89 N LYS 1 8 9.015 4.253 -11.968 1.00 0.00 N ATOM 90 CA LYS 1 8 7.812 3.485 -11.684 1.00 0.00 C ATOM 91 C LYS 1 8 7.936 2.741 -10.355 1.00 0.00 C ATOM 92 O LYS 1 8 7.032 2.009 -9.954 1.00 0.00 O ATOM 93 CB LYS 1 8 7.488 2.509 -12.821 1.00 0.00 C ATOM 94 CG LYS 1 8 7.297 3.189 -14.168 1.00 0.00 C ATOM 95 CD LYS 1 8 8.593 3.238 -14.959 1.00 0.00 C ATOM 96 CE LYS 1 8 8.339 3.125 -16.453 1.00 0.00 C ATOM 97 NZ LYS 1 8 7.795 4.390 -17.021 1.00 0.00 N ATOM 0 H LYS 1 8 8.921 5.251 -11.779 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.986 4.192 -11.604 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 8.293 1.778 -12.903 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.582 1.958 -12.569 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 6.540 2.655 -14.742 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 6.925 4.202 -14.015 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 9.114 4.171 -14.747 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 9.247 2.427 -14.638 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 9.269 2.869 -16.961 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 7.638 2.311 -16.642 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 7.635 4.272 -18.042 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 6.895 4.621 -16.554 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 8.474 5.162 -16.864 1.00 0.00 H new ATOM 111 N ILE 1 9 9.052 2.961 -9.666 1.00 0.00 N ATOM 112 CA ILE 1 9 9.294 2.348 -8.370 1.00 0.00 C ATOM 113 C ILE 1 9 9.149 3.402 -7.288 1.00 0.00 C ATOM 114 O ILE 1 9 9.389 4.580 -7.538 1.00 0.00 O ATOM 115 CB ILE 1 9 10.708 1.730 -8.283 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.848 0.578 -9.282 1.00 0.00 C ATOM 117 CG2 ILE 1 9 11.000 1.247 -6.867 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.666 0.933 -10.504 1.00 0.00 C ATOM 0 H ILE 1 9 9.807 3.565 -9.990 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.566 1.549 -8.234 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.436 2.501 -8.537 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 11.309 -0.273 -8.781 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 9.855 0.261 -9.599 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 12.000 0.816 -6.829 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.941 2.088 -6.176 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 10.268 0.491 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 11.723 0.070 -11.167 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 11.194 1.763 -11.029 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 12.671 1.222 -10.198 1.00 0.00 H new ATOM 130 N LEU 1 10 8.764 2.991 -6.090 1.00 0.00 N ATOM 131 CA LEU 1 10 8.606 3.935 -4.992 1.00 0.00 C ATOM 132 C LEU 1 10 9.960 4.449 -4.529 1.00 0.00 C ATOM 133 O LEU 1 10 10.275 4.404 -3.339 1.00 0.00 O ATOM 134 CB LEU 1 10 7.876 3.280 -3.828 1.00 0.00 C ATOM 135 CG LEU 1 10 6.359 3.322 -3.931 1.00 0.00 C ATOM 136 CD1 LEU 1 10 5.896 2.511 -5.127 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.730 2.814 -2.644 1.00 0.00 C ATOM 0 H LEU 1 10 8.557 2.021 -5.853 1.00 0.00 H new ATOM 0 HA LEU 1 10 8.015 4.778 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 8.194 2.240 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 8.179 3.771 -2.903 1.00 0.00 H new ATOM 0 HG LEU 1 10 6.039 4.354 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 4.809 2.547 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 6.328 2.926 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 6.218 1.476 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.644 2.849 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 6.046 1.786 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 6.048 3.441 -1.811 1.00 0.00 H new ATOM 149 N GLU 1 11 10.758 4.937 -5.480 1.00 0.00 N ATOM 150 CA GLU 1 11 12.084 5.459 -5.189 1.00 0.00 C ATOM 151 C GLU 1 11 12.720 4.720 -4.018 1.00 0.00 C ATOM 152 O GLU 1 11 12.788 5.236 -2.903 1.00 0.00 O ATOM 153 CB GLU 1 11 12.005 6.949 -4.889 1.00 0.00 C ATOM 154 CG GLU 1 11 13.289 7.501 -4.308 1.00 0.00 C ATOM 155 CD GLU 1 11 13.470 8.984 -4.566 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.845 9.792 -3.847 1.00 0.00 O ATOM 157 OE2 GLU 1 11 14.237 9.337 -5.486 1.00 0.00 O ATOM 0 H GLU 1 11 10.501 4.979 -6.466 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.711 5.304 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.766 7.487 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.188 7.131 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.301 7.321 -3.233 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 14.135 6.959 -4.731 1.00 0.00 H new ATOM 164 N GLN 1 12 13.170 3.506 -4.279 1.00 0.00 N ATOM 165 CA GLN 1 12 13.789 2.688 -3.243 1.00 0.00 C ATOM 166 C GLN 1 12 12.857 2.522 -2.039 1.00 0.00 C ATOM 167 O GLN 1 12 12.072 1.575 -1.979 1.00 0.00 O ATOM 168 CB GLN 1 12 15.128 3.298 -2.811 1.00 0.00 C ATOM 169 CG GLN 1 12 15.794 2.560 -1.660 1.00 0.00 C ATOM 170 CD GLN 1 12 16.987 3.309 -1.100 1.00 0.00 C ATOM 171 OE1 GLN 1 12 18.119 3.120 -1.546 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.739 4.166 -0.116 1.00 0.00 N ATOM 0 H GLN 1 12 13.120 3.062 -5.196 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.975 1.698 -3.659 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 15.805 3.307 -3.665 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 14.967 4.336 -2.520 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.065 2.400 -0.866 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 16.115 1.576 -2.001 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.785 4.291 0.223 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.502 4.699 0.301 1.00 0.00 H new ATOM 181 N GLY 1 13 12.943 3.447 -1.085 1.00 0.00 N ATOM 182 CA GLY 1 13 12.100 3.382 0.095 1.00 0.00 C ATOM 183 C GLY 1 13 11.424 4.707 0.384 1.00 0.00 C ATOM 184 O GLY 1 13 11.559 5.258 1.477 1.00 0.00 O ATOM 0 H GLY 1 13 13.583 4.241 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 11.342 2.611 -0.043 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.702 3.087 0.955 1.00 0.00 H new ATOM 188 N GLU 1 14 10.703 5.222 -0.605 1.00 0.00 N ATOM 189 CA GLU 1 14 10.007 6.495 -0.470 1.00 0.00 C ATOM 190 C GLU 1 14 8.580 6.290 0.033 1.00 0.00 C ATOM 191 O GLU 1 14 8.117 7.006 0.920 1.00 0.00 O ATOM 192 CB GLU 1 14 10.021 7.223 -1.809 1.00 0.00 C ATOM 193 CG GLU 1 14 11.207 8.158 -1.960 1.00 0.00 C ATOM 194 CD GLU 1 14 11.172 9.308 -0.972 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.078 9.609 -0.450 1.00 0.00 O ATOM 196 OE2 GLU 1 14 12.239 9.906 -0.719 1.00 0.00 O ATOM 0 H GLU 1 14 10.585 4.774 -1.514 1.00 0.00 H new ATOM 0 HA GLU 1 14 10.523 7.106 0.270 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 10.038 6.490 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.099 7.794 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 12.130 7.594 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 11.225 8.556 -2.975 1.00 0.00 H new ATOM 203 N ASP 1 15 7.904 5.293 -0.537 1.00 0.00 N ATOM 204 CA ASP 1 15 6.528 4.932 -0.169 1.00 0.00 C ATOM 205 C ASP 1 15 5.504 5.632 -1.048 1.00 0.00 C ATOM 206 O ASP 1 15 4.418 5.976 -0.588 1.00 0.00 O ATOM 207 CB ASP 1 15 6.240 5.235 1.308 1.00 0.00 C ATOM 208 CG ASP 1 15 7.334 4.732 2.229 1.00 0.00 C ATOM 209 OD1 ASP 1 15 8.113 3.853 1.802 1.00 0.00 O ATOM 210 OD2 ASP 1 15 7.413 5.217 3.378 1.00 0.00 O ATOM 0 H ASP 1 15 8.296 4.706 -1.274 1.00 0.00 H new ATOM 0 HA ASP 1 15 6.438 3.857 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.126 6.311 1.439 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.292 4.777 1.591 1.00 0.00 H new ATOM 215 N CYS 1 16 5.858 5.810 -2.321 1.00 0.00 N ATOM 216 CA CYS 1 16 4.982 6.442 -3.313 1.00 0.00 C ATOM 217 C CYS 1 16 5.806 7.074 -4.424 1.00 0.00 C ATOM 218 O CYS 1 16 6.723 7.848 -4.161 1.00 0.00 O ATOM 219 CB CYS 1 16 4.074 7.500 -2.679 1.00 0.00 C ATOM 220 SG CYS 1 16 2.392 6.918 -2.282 1.00 0.00 S ATOM 0 H CYS 1 16 6.761 5.520 -2.696 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.349 5.659 -3.730 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 4.544 7.862 -1.765 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.999 8.350 -3.358 1.00 0.00 H new ATOM 225 N ASP 1 17 5.476 6.741 -5.667 1.00 0.00 N ATOM 226 CA ASP 1 17 6.192 7.287 -6.812 1.00 0.00 C ATOM 227 C ASP 1 17 5.397 7.115 -8.100 1.00 0.00 C ATOM 228 O ASP 1 17 4.481 6.296 -8.181 1.00 0.00 O ATOM 229 CB ASP 1 17 7.563 6.628 -6.963 1.00 0.00 C ATOM 230 CG ASP 1 17 8.418 7.329 -8.003 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.247 8.552 -8.182 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.251 6.656 -8.644 1.00 0.00 O ATOM 0 H ASP 1 17 4.721 6.099 -5.906 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.327 8.353 -6.628 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.078 6.639 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.434 5.583 -7.244 1.00 0.00 H new ATOM 237 N CYS 1 18 5.770 7.895 -9.105 1.00 0.00 N ATOM 238 CA CYS 1 18 5.122 7.851 -10.408 1.00 0.00 C ATOM 239 C CYS 1 18 6.162 8.008 -11.510 1.00 0.00 C ATOM 240 O CYS 1 18 7.061 8.843 -11.405 1.00 0.00 O ATOM 241 CB CYS 1 18 4.083 8.968 -10.526 1.00 0.00 C ATOM 242 SG CYS 1 18 2.460 8.575 -9.802 1.00 0.00 S ATOM 0 H CYS 1 18 6.528 8.574 -9.040 1.00 0.00 H new ATOM 0 HA CYS 1 18 4.622 6.888 -10.513 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 4.475 9.863 -10.042 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 3.947 9.209 -11.580 1.00 0.00 H new ATOM 247 N GLY 1 19 6.041 7.209 -12.568 1.00 0.00 N ATOM 248 CA GLY 1 19 6.986 7.292 -13.670 1.00 0.00 C ATOM 249 C GLY 1 19 7.276 8.726 -14.074 1.00 0.00 C ATOM 250 O GLY 1 19 8.435 9.127 -14.187 1.00 0.00 O ATOM 0 H GLY 1 19 5.309 6.508 -12.682 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 7.917 6.802 -13.385 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 6.589 6.749 -14.528 1.00 0.00 H new ATOM 254 N SER 1 20 6.216 9.501 -14.279 1.00 0.00 N ATOM 255 CA SER 1 20 6.351 10.902 -14.660 1.00 0.00 C ATOM 256 C SER 1 20 5.332 11.767 -13.914 1.00 0.00 C ATOM 257 O SER 1 20 4.131 11.516 -13.988 1.00 0.00 O ATOM 258 CB SER 1 20 6.163 11.061 -16.170 1.00 0.00 C ATOM 259 OG SER 1 20 6.615 9.912 -16.865 1.00 0.00 O ATOM 0 H SER 1 20 5.252 9.181 -14.187 1.00 0.00 H new ATOM 0 HA SER 1 20 7.353 11.234 -14.389 1.00 0.00 H new ATOM 0 HB2 SER 1 20 5.110 11.233 -16.392 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.709 11.938 -16.517 1.00 0.00 H new ATOM 0 HG SER 1 20 6.482 10.039 -17.828 1.00 0.00 H new ATOM 265 N PRO 1 21 5.794 12.798 -13.179 1.00 0.00 N ATOM 266 CA PRO 1 21 4.906 13.690 -12.426 1.00 0.00 C ATOM 267 C PRO 1 21 3.679 14.114 -13.231 1.00 0.00 C ATOM 268 O PRO 1 21 2.614 14.369 -12.668 1.00 0.00 O ATOM 269 CB PRO 1 21 5.794 14.896 -12.135 1.00 0.00 C ATOM 270 CG PRO 1 21 7.173 14.339 -12.063 1.00 0.00 C ATOM 271 CD PRO 1 21 7.213 13.176 -13.021 1.00 0.00 C ATOM 0 HA PRO 1 21 4.503 13.208 -11.535 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 5.711 15.648 -12.920 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 5.512 15.379 -11.199 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 7.911 15.093 -12.337 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 7.409 14.015 -11.049 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 7.660 13.459 -13.974 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 7.805 12.351 -12.624 1.00 0.00 H new ATOM 279 N ALA 1 22 3.835 14.184 -14.549 1.00 0.00 N ATOM 280 CA ALA 1 22 2.740 14.574 -15.430 1.00 0.00 C ATOM 281 C ALA 1 22 1.871 13.372 -15.780 1.00 0.00 C ATOM 282 O ALA 1 22 0.672 13.507 -16.024 1.00 0.00 O ATOM 283 CB ALA 1 22 3.284 15.222 -16.694 1.00 0.00 C ATOM 0 H ALA 1 22 4.710 13.976 -15.031 1.00 0.00 H new ATOM 0 HA ALA 1 22 2.120 15.300 -14.904 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 2.455 15.508 -17.342 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 3.860 16.109 -16.429 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 3.927 14.515 -17.218 1.00 0.00 H new ATOM 289 N ASN 1 23 2.485 12.194 -15.791 1.00 0.00 N ATOM 290 CA ASN 1 23 1.773 10.960 -16.096 1.00 0.00 C ATOM 291 C ASN 1 23 1.593 10.123 -14.834 1.00 0.00 C ATOM 292 O ASN 1 23 1.403 8.909 -14.900 1.00 0.00 O ATOM 293 CB ASN 1 23 2.530 10.155 -17.155 1.00 0.00 C ATOM 294 CG ASN 1 23 2.516 10.829 -18.513 1.00 0.00 C ATOM 295 OD1 ASN 1 23 1.800 10.407 -19.421 1.00 0.00 O ATOM 296 ND2 ASN 1 23 3.310 11.884 -18.658 1.00 0.00 N ATOM 0 H ASN 1 23 3.477 12.068 -15.591 1.00 0.00 H new ATOM 0 HA ASN 1 23 0.789 11.219 -16.488 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 3.562 10.015 -16.832 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.086 9.163 -17.240 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 3.343 12.379 -19.549 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 3.887 12.199 -17.878 1.00 0.00 H new ATOM 303 N CYS 1 24 1.662 10.787 -13.684 1.00 0.00 N ATOM 304 CA CYS 1 24 1.516 10.124 -12.401 1.00 0.00 C ATOM 305 C CYS 1 24 0.157 9.452 -12.286 1.00 0.00 C ATOM 306 O CYS 1 24 -0.792 10.027 -11.752 1.00 0.00 O ATOM 307 CB CYS 1 24 1.701 11.128 -11.267 1.00 0.00 C ATOM 308 SG CYS 1 24 1.580 10.396 -9.602 1.00 0.00 S ATOM 0 H CYS 1 24 1.820 11.793 -13.619 1.00 0.00 H new ATOM 0 HA CYS 1 24 2.285 9.355 -12.327 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.675 11.605 -11.373 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 0.950 11.912 -11.363 1.00 0.00 H new ATOM 313 N GLN 1 25 0.072 8.229 -12.789 1.00 0.00 N ATOM 314 CA GLN 1 25 -1.170 7.465 -12.747 1.00 0.00 C ATOM 315 C GLN 1 25 -1.426 6.902 -11.348 1.00 0.00 C ATOM 316 O GLN 1 25 -1.706 5.713 -11.187 1.00 0.00 O ATOM 317 CB GLN 1 25 -1.125 6.326 -13.768 1.00 0.00 C ATOM 318 CG GLN 1 25 -0.050 5.292 -13.478 1.00 0.00 C ATOM 319 CD GLN 1 25 -0.422 3.909 -13.977 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.860 3.055 -13.206 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -0.248 3.682 -15.274 1.00 0.00 N ATOM 0 H GLN 1 25 0.850 7.742 -13.233 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.988 8.140 -12.998 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -2.096 5.832 -13.791 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.956 6.745 -14.760 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 0.884 5.604 -13.945 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.129 5.251 -12.404 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.118 4.419 -15.876 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -0.480 2.770 -15.668 1.00 0.00 H new ATOM 330 N ASP 1 26 -1.336 7.764 -10.339 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.563 7.358 -8.959 1.00 0.00 C ATOM 332 C ASP 1 26 -2.131 8.520 -8.151 1.00 0.00 C ATOM 333 O ASP 1 26 -1.389 9.370 -7.661 1.00 0.00 O ATOM 334 CB ASP 1 26 -0.261 6.868 -8.323 1.00 0.00 C ATOM 335 CG ASP 1 26 0.353 5.709 -9.084 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -0.363 4.716 -9.332 1.00 0.00 O ATOM 337 OD2 ASP 1 26 1.550 5.794 -9.430 1.00 0.00 O ATOM 0 H ASP 1 26 -1.107 8.751 -10.454 1.00 0.00 H new ATOM 0 HA ASP 1 26 -2.283 6.540 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.452 7.691 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.454 6.562 -7.295 1.00 0.00 H new ATOM 342 N ARG 1 27 -3.452 8.551 -8.024 1.00 0.00 N ATOM 343 CA ARG 1 27 -4.123 9.612 -7.283 1.00 0.00 C ATOM 344 C ARG 1 27 -3.740 9.591 -5.805 1.00 0.00 C ATOM 345 O ARG 1 27 -3.959 10.566 -5.087 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.640 9.480 -7.432 1.00 0.00 C ATOM 347 CG ARG 1 27 -6.205 8.214 -6.805 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.750 7.263 -7.858 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.201 7.366 -7.991 1.00 0.00 N ATOM 350 CZ ARG 1 27 -8.962 6.434 -8.561 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -8.414 5.329 -9.052 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -10.274 6.606 -8.640 1.00 0.00 N ATOM 0 H ARG 1 27 -4.080 7.854 -8.424 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.800 10.566 -7.700 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -6.118 10.346 -6.975 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.896 9.496 -8.491 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.426 7.713 -6.230 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.999 8.477 -6.106 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -6.282 7.479 -8.818 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -6.482 6.240 -7.596 1.00 0.00 H new ATOM 0 HE ARG 1 27 -8.658 8.201 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -7.405 5.191 -8.994 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -9.002 4.618 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -10.701 7.453 -8.264 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -10.857 5.892 -9.077 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.170 8.477 -5.351 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.767 8.347 -3.955 1.00 0.00 C ATOM 368 C CYS 1 28 -1.260 8.551 -3.796 1.00 0.00 C ATOM 369 O CYS 1 28 -0.794 8.989 -2.743 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.168 6.976 -3.395 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.620 6.213 -4.196 1.00 0.00 S ATOM 0 H CYS 1 28 -2.978 7.657 -5.926 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.285 9.123 -3.391 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -2.320 6.298 -3.492 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.372 7.081 -2.329 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.500 8.233 -4.843 1.00 0.00 N ATOM 377 CA CYS 1 29 0.954 8.385 -4.806 1.00 0.00 C ATOM 378 C CYS 1 29 1.412 9.520 -5.714 1.00 0.00 C ATOM 379 O CYS 1 29 1.023 9.590 -6.879 1.00 0.00 O ATOM 380 CB CYS 1 29 1.643 7.087 -5.235 1.00 0.00 C ATOM 381 SG CYS 1 29 1.830 5.849 -3.911 1.00 0.00 S ATOM 0 H CYS 1 29 -0.865 7.870 -5.724 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.232 8.621 -3.779 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.074 6.642 -6.051 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.630 7.329 -5.629 1.00 0.00 H new ATOM 386 N ASN 1 30 2.245 10.404 -5.175 1.00 0.00 N ATOM 387 CA ASN 1 30 2.763 11.532 -5.943 1.00 0.00 C ATOM 388 C ASN 1 30 4.266 11.401 -6.174 1.00 0.00 C ATOM 389 O ASN 1 30 5.038 11.228 -5.224 1.00 0.00 O ATOM 390 CB ASN 1 30 2.455 12.848 -5.226 1.00 0.00 C ATOM 391 CG ASN 1 30 2.593 14.050 -6.139 1.00 0.00 C ATOM 392 OD1 ASN 1 30 1.925 14.142 -7.169 1.00 0.00 O ATOM 393 ND2 ASN 1 30 3.463 14.980 -5.765 1.00 0.00 N ATOM 0 H ASN 1 30 2.576 10.362 -4.211 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.269 11.530 -6.915 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.441 12.813 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.128 12.962 -4.376 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 3.599 15.812 -6.339 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 3.996 14.863 -4.903 1.00 0.00 H new ATOM 400 N ALA 1 31 4.672 11.492 -7.443 1.00 0.00 N ATOM 401 CA ALA 1 31 6.083 11.396 -7.812 1.00 0.00 C ATOM 402 C ALA 1 31 6.842 12.636 -7.363 1.00 0.00 C ATOM 403 O ALA 1 31 7.928 12.544 -6.790 1.00 0.00 O ATOM 404 CB ALA 1 31 6.225 11.227 -9.317 1.00 0.00 C ATOM 0 H ALA 1 31 4.041 11.632 -8.232 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.506 10.525 -7.312 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.281 11.157 -9.577 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 5.713 10.318 -9.631 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 5.783 12.085 -9.823 1.00 0.00 H new ATOM 410 N ALA 1 32 6.256 13.798 -7.634 1.00 0.00 N ATOM 411 CA ALA 1 32 6.862 15.075 -7.269 1.00 0.00 C ATOM 412 C ALA 1 32 7.312 15.091 -5.810 1.00 0.00 C ATOM 413 O ALA 1 32 8.171 15.885 -5.427 1.00 0.00 O ATOM 414 CB ALA 1 32 5.882 16.209 -7.525 1.00 0.00 C ATOM 0 H ALA 1 32 5.357 13.882 -8.108 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.747 15.212 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 6.343 17.158 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 5.616 16.228 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 4.984 16.055 -6.927 1.00 0.00 H new ATOM 420 N THR 1 33 6.727 14.215 -5.001 1.00 0.00 N ATOM 421 CA THR 1 33 7.068 14.136 -3.589 1.00 0.00 C ATOM 422 C THR 1 33 7.627 12.764 -3.246 1.00 0.00 C ATOM 423 O THR 1 33 8.360 12.606 -2.270 1.00 0.00 O ATOM 424 CB THR 1 33 5.829 14.408 -2.731 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.197 14.700 -1.395 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.855 13.244 -2.697 1.00 0.00 C ATOM 0 H THR 1 33 6.014 13.550 -5.301 1.00 0.00 H new ATOM 0 HA THR 1 33 7.828 14.889 -3.381 1.00 0.00 H new ATOM 0 HB THR 1 33 5.336 15.260 -3.199 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.392 14.872 -0.864 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.000 13.503 -2.072 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.512 13.027 -3.709 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.352 12.365 -2.286 1.00 0.00 H new ATOM 434 N CYS 1 34 7.248 11.768 -4.037 1.00 0.00 N ATOM 435 CA CYS 1 34 7.681 10.406 -3.797 1.00 0.00 C ATOM 436 C CYS 1 34 7.136 9.946 -2.455 1.00 0.00 C ATOM 437 O CYS 1 34 7.824 9.298 -1.670 1.00 0.00 O ATOM 438 CB CYS 1 34 9.206 10.304 -3.837 1.00 0.00 C ATOM 439 SG CYS 1 34 9.828 9.174 -5.124 1.00 0.00 S ATOM 0 H CYS 1 34 6.642 11.882 -4.849 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.294 9.757 -4.583 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.624 11.297 -4.004 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.565 9.967 -2.865 1.00 0.00 H new ATOM 444 N LYS 1 35 5.884 10.307 -2.204 1.00 0.00 N ATOM 445 CA LYS 1 35 5.213 9.955 -0.959 1.00 0.00 C ATOM 446 C LYS 1 35 3.697 10.035 -1.130 1.00 0.00 C ATOM 447 O LYS 1 35 3.203 10.631 -2.087 1.00 0.00 O ATOM 448 CB LYS 1 35 5.652 10.890 0.172 1.00 0.00 C ATOM 449 CG LYS 1 35 7.158 10.978 0.346 1.00 0.00 C ATOM 450 CD LYS 1 35 7.529 11.786 1.577 1.00 0.00 C ATOM 451 CE LYS 1 35 7.220 13.263 1.388 1.00 0.00 C ATOM 452 NZ LYS 1 35 7.661 14.077 2.555 1.00 0.00 N ATOM 0 H LYS 1 35 5.309 10.847 -2.851 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.490 8.933 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.259 11.888 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 5.207 10.548 1.107 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.575 9.974 0.429 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.602 11.436 -0.538 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.983 11.407 2.441 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.590 11.660 1.790 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 7.714 13.625 0.486 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 6.148 13.393 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 7.432 15.077 2.387 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 7.171 13.749 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 8.688 13.973 2.682 1.00 0.00 H new ATOM 466 N LEU 1 36 2.964 9.434 -0.199 1.00 0.00 N ATOM 467 CA LEU 1 36 1.505 9.442 -0.249 1.00 0.00 C ATOM 468 C LEU 1 36 0.967 10.869 -0.284 1.00 0.00 C ATOM 469 O LEU 1 36 1.301 11.691 0.570 1.00 0.00 O ATOM 470 CB LEU 1 36 0.927 8.696 0.955 1.00 0.00 C ATOM 471 CG LEU 1 36 1.101 7.176 0.923 1.00 0.00 C ATOM 472 CD1 LEU 1 36 1.278 6.629 2.331 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.090 6.520 0.241 1.00 0.00 C ATOM 0 H LEU 1 36 3.356 8.935 0.600 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.197 8.935 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.396 9.081 1.860 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.137 8.923 1.027 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.998 6.943 0.350 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 1.400 5.547 2.288 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 2.161 7.076 2.787 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.399 6.871 2.929 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 0.049 5.439 0.226 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.001 6.761 0.789 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.173 6.889 -0.781 1.00 0.00 H new ATOM 485 N THR 1 37 0.133 11.155 -1.278 1.00 0.00 N ATOM 486 CA THR 1 37 -0.453 12.482 -1.429 1.00 0.00 C ATOM 487 C THR 1 37 -1.300 12.846 -0.213 1.00 0.00 C ATOM 488 O THR 1 37 -1.825 11.968 0.475 1.00 0.00 O ATOM 489 CB THR 1 37 -1.308 12.545 -2.696 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.556 11.908 -2.490 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.653 11.893 -3.895 1.00 0.00 C ATOM 0 H THR 1 37 -0.153 10.485 -1.992 1.00 0.00 H new ATOM 0 HA THR 1 37 0.361 13.202 -1.512 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.435 13.607 -2.905 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.897 11.571 -3.345 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -1.313 11.973 -4.759 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.291 12.394 -4.111 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.464 10.841 -3.679 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.448 14.152 0.069 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.239 14.628 1.208 1.00 0.00 C ATOM 501 C PRO 1 38 -3.641 14.031 1.226 1.00 0.00 C ATOM 502 O PRO 1 38 -4.441 14.270 0.322 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.305 16.141 0.989 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.095 16.460 0.181 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.859 15.264 -0.700 1.00 0.00 C ATOM 0 HA PRO 1 38 -1.794 14.342 2.161 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.217 16.426 0.465 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.301 16.679 1.937 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.250 17.359 -0.415 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.235 16.647 0.824 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.339 15.380 -1.672 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.203 15.105 -0.886 1.00 0.00 H new ATOM 513 N GLY 1 39 -3.933 13.250 2.261 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.238 12.629 2.377 1.00 0.00 C ATOM 515 C GLY 1 39 -5.261 11.213 1.833 1.00 0.00 C ATOM 516 O GLY 1 39 -6.323 10.687 1.501 1.00 0.00 O ATOM 0 H GLY 1 39 -3.288 13.036 3.022 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.538 12.617 3.425 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -5.972 13.232 1.842 1.00 0.00 H new ATOM 520 N SER 1 40 -4.088 10.593 1.742 1.00 0.00 N ATOM 521 CA SER 1 40 -3.981 9.232 1.238 1.00 0.00 C ATOM 522 C SER 1 40 -2.941 8.446 2.029 1.00 0.00 C ATOM 523 O SER 1 40 -1.867 8.959 2.341 1.00 0.00 O ATOM 524 CB SER 1 40 -3.613 9.241 -0.247 1.00 0.00 C ATOM 525 OG SER 1 40 -4.599 9.910 -1.013 1.00 0.00 O ATOM 0 H SER 1 40 -3.199 11.014 2.012 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.949 8.747 1.358 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -2.649 9.730 -0.383 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.504 8.217 -0.604 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.173 10.599 -1.565 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.269 7.201 2.355 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.363 6.347 3.114 1.00 0.00 C ATOM 533 C GLN 1 41 -1.880 5.171 2.269 1.00 0.00 C ATOM 534 O GLN 1 41 -0.741 4.726 2.403 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.059 5.836 4.377 1.00 0.00 C ATOM 536 CG GLN 1 41 -2.716 6.633 5.624 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.514 5.753 6.842 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -1.390 5.565 7.308 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -3.606 5.206 7.364 1.00 0.00 N ATOM 0 H GLN 1 41 -4.155 6.761 2.106 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.494 6.940 3.398 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.138 5.863 4.224 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.786 4.793 4.536 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -1.809 7.211 5.443 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -3.514 7.347 5.825 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -4.518 5.389 6.945 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -3.533 4.603 8.183 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.754 4.674 1.400 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.417 3.546 0.534 1.00 0.00 C ATOM 550 C CYS 1 42 -2.543 3.919 -0.937 1.00 0.00 C ATOM 551 O CYS 1 42 -3.200 4.897 -1.293 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.313 2.351 0.834 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.449 0.746 0.739 1.00 0.00 S ATOM 0 H CYS 1 42 -3.701 5.033 1.276 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.380 3.279 0.737 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.737 2.467 1.831 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.147 2.347 0.132 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.910 3.120 -1.783 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.938 3.336 -3.225 1.00 0.00 C ATOM 560 C ASN 1 43 -1.759 2.017 -3.966 1.00 0.00 C ATOM 561 O ASN 1 43 -2.306 1.821 -5.051 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.839 4.311 -3.637 1.00 0.00 C ATOM 563 CG ASN 1 43 -0.957 4.737 -5.087 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -1.961 5.320 -5.496 1.00 0.00 O ATOM 565 ND2 ASN 1 43 0.072 4.445 -5.875 1.00 0.00 N ATOM 0 H ASN 1 43 -1.365 2.308 -1.493 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.907 3.760 -3.488 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.881 5.193 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 0.134 3.847 -3.476 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 0.049 4.705 -6.861 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.885 3.960 -5.494 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.994 1.112 -3.364 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.742 -0.195 -3.951 1.00 0.00 C ATOM 574 C TYR 1 44 -0.653 -1.245 -2.847 1.00 0.00 C ATOM 575 O TYR 1 44 0.153 -1.123 -1.925 1.00 0.00 O ATOM 576 CB TYR 1 44 0.538 -0.161 -4.803 1.00 0.00 C ATOM 577 CG TYR 1 44 1.715 -0.895 -4.199 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.716 -2.279 -4.107 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.818 -0.203 -3.719 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.780 -2.956 -3.553 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.891 -0.872 -3.164 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.868 -2.249 -3.082 1.00 0.00 C ATOM 583 OH TYR 1 44 4.934 -2.921 -2.529 1.00 0.00 O ATOM 0 H TYR 1 44 -0.537 1.263 -2.465 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.568 -0.463 -4.610 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.320 -0.592 -5.780 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.821 0.878 -4.969 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.867 -2.836 -4.476 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.838 0.875 -3.780 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.763 -4.034 -3.488 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.743 -0.320 -2.796 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.617 -2.277 -2.248 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.499 -2.260 -2.937 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.519 -3.304 -1.933 1.00 0.00 C ATOM 595 C GLY 1 45 -2.928 -3.614 -1.460 1.00 0.00 C ATOM 596 O GLY 1 45 -3.864 -2.865 -1.740 1.00 0.00 O ATOM 0 H GLY 1 45 -2.175 -2.380 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.067 -4.208 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.910 -3.000 -1.082 1.00 0.00 H new ATOM 600 N GLU 1 46 -3.076 -4.724 -0.750 1.00 0.00 N ATOM 601 CA GLU 1 46 -4.377 -5.152 -0.245 1.00 0.00 C ATOM 602 C GLU 1 46 -5.031 -4.100 0.649 1.00 0.00 C ATOM 603 O GLU 1 46 -6.227 -3.832 0.534 1.00 0.00 O ATOM 604 CB GLU 1 46 -4.219 -6.451 0.543 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.116 -7.689 -0.334 1.00 0.00 C ATOM 606 CD GLU 1 46 -3.020 -7.575 -1.376 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.246 -6.904 -2.404 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -1.936 -8.157 -1.163 1.00 0.00 O ATOM 0 H GLU 1 46 -2.307 -5.349 -0.509 1.00 0.00 H new ATOM 0 HA GLU 1 46 -5.025 -5.302 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -3.327 -6.382 1.165 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -5.069 -6.563 1.216 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.927 -8.560 0.294 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.071 -7.857 -0.833 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.251 -3.536 1.563 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.764 -2.547 2.507 1.00 0.00 C ATOM 617 C CYS 1 47 -5.336 -1.305 1.823 1.00 0.00 C ATOM 618 O CYS 1 47 -6.145 -0.592 2.414 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.664 -2.136 3.485 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.136 -2.290 5.236 1.00 0.00 S ATOM 0 H CYS 1 47 -3.259 -3.746 1.672 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.586 -3.023 3.042 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.781 -2.749 3.302 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.381 -1.102 3.285 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.905 -1.020 0.601 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.380 0.168 -0.096 1.00 0.00 C ATOM 627 C CYS 1 48 -6.856 0.087 -0.457 1.00 0.00 C ATOM 628 O CYS 1 48 -7.357 -0.941 -0.913 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.555 0.430 -1.355 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.783 0.119 -1.152 1.00 0.00 S ATOM 0 H CYS 1 48 -4.237 -1.586 0.078 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.256 0.999 0.599 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.933 -0.197 -2.162 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.699 1.466 -1.662 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.530 1.211 -0.245 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.948 1.356 -0.530 1.00 0.00 C ATOM 637 C ASP 1 49 -9.315 2.833 -0.461 1.00 0.00 C ATOM 638 O ASP 1 49 -9.360 3.420 0.620 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.785 0.555 0.470 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.013 -0.063 -0.168 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.890 -1.160 -0.754 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.098 0.549 -0.083 1.00 0.00 O ATOM 0 H ASP 1 49 -7.101 2.055 0.134 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.157 0.970 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.170 -0.233 0.906 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.093 1.208 1.287 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.540 3.442 -1.620 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.865 4.862 -1.680 1.00 0.00 C ATOM 649 C GLN 1 50 -8.651 5.692 -1.267 1.00 0.00 C ATOM 650 O GLN 1 50 -8.787 6.757 -0.665 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.056 5.184 -0.774 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.675 6.546 -1.043 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.189 6.522 -0.978 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.870 6.913 -1.926 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.725 6.062 0.147 1.00 0.00 N ATOM 0 H GLN 1 50 -9.504 2.977 -2.527 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.137 5.112 -2.705 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.818 4.416 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -10.733 5.140 0.266 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.295 7.263 -0.316 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.363 6.895 -2.027 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.123 5.748 0.908 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.739 6.023 0.250 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.465 5.181 -1.595 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.206 5.849 -1.268 1.00 0.00 C ATOM 666 C CYS 1 51 -5.957 5.872 0.240 1.00 0.00 C ATOM 667 O CYS 1 51 -5.178 6.687 0.729 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.188 7.280 -1.816 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.178 7.389 -3.635 1.00 0.00 S ATOM 0 H CYS 1 51 -7.350 4.298 -2.092 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.407 5.276 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.060 7.812 -1.437 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -5.308 7.794 -1.428 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.613 4.976 0.975 1.00 0.00 N ATOM 675 CA ARG 1 52 -6.440 4.914 2.425 1.00 0.00 C ATOM 676 C ARG 1 52 -6.219 3.477 2.890 1.00 0.00 C ATOM 677 O ARG 1 52 -6.794 2.542 2.333 1.00 0.00 O ATOM 678 CB ARG 1 52 -7.661 5.508 3.130 1.00 0.00 C ATOM 679 CG ARG 1 52 -7.361 6.035 4.524 1.00 0.00 C ATOM 680 CD ARG 1 52 -6.911 7.486 4.487 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.269 8.202 5.709 1.00 0.00 N ATOM 682 CZ ARG 1 52 -7.320 9.529 5.803 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -7.037 10.287 4.750 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -7.654 10.100 6.952 1.00 0.00 N ATOM 0 H ARG 1 52 -7.264 4.289 0.595 1.00 0.00 H new ATOM 0 HA ARG 1 52 -5.557 5.498 2.684 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.062 6.319 2.522 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.438 4.746 3.198 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.251 5.945 5.147 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -6.585 5.424 4.986 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -5.831 7.527 4.346 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.363 7.984 3.629 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.493 7.653 6.539 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -6.779 9.853 3.864 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -7.078 11.303 4.827 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.872 9.523 7.764 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -7.693 11.117 7.024 1.00 0.00 H new ATOM 698 N PHE 1 53 -5.386 3.305 3.917 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.104 1.975 4.446 1.00 0.00 C ATOM 700 C PHE 1 53 -6.355 1.355 5.038 1.00 0.00 C ATOM 701 O PHE 1 53 -7.145 2.031 5.698 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.008 2.018 5.518 1.00 0.00 C ATOM 703 CG PHE 1 53 -2.627 2.228 4.968 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.279 1.720 3.731 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -1.678 2.930 5.691 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.015 1.906 3.221 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -0.406 3.121 5.186 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.074 2.608 3.947 1.00 0.00 C ATOM 0 H PHE 1 53 -4.900 4.064 4.394 1.00 0.00 H new ATOM 0 HA PHE 1 53 -4.756 1.366 3.612 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -4.234 2.819 6.222 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.026 1.084 6.080 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.009 1.169 3.157 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -1.934 3.333 6.660 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -0.759 1.503 2.252 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 0.327 3.670 5.759 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.919 2.756 3.548 1.00 0.00 H new ATOM 718 N LYS 1 54 -6.522 0.064 4.810 1.00 0.00 N ATOM 719 CA LYS 1 54 -7.677 -0.647 5.338 1.00 0.00 C ATOM 720 C LYS 1 54 -7.602 -0.698 6.858 1.00 0.00 C ATOM 721 O LYS 1 54 -6.956 -1.578 7.423 1.00 0.00 O ATOM 722 CB LYS 1 54 -7.751 -2.061 4.760 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.829 -2.225 3.700 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.474 -3.317 2.703 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.678 -2.850 1.270 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.883 -3.993 0.337 1.00 0.00 N ATOM 0 H LYS 1 54 -5.878 -0.512 4.267 1.00 0.00 H new ATOM 0 HA LYS 1 54 -8.581 -0.113 5.045 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -6.784 -2.320 4.328 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -7.937 -2.767 5.569 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.778 -2.464 4.180 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -8.968 -1.281 3.172 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.436 -3.617 2.845 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -9.089 -4.197 2.891 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.540 -2.185 1.224 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.812 -2.271 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.419 -3.671 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.960 -4.362 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.414 -4.745 0.821 1.00 0.00 H new ATOM 740 N LYS 1 55 -8.257 0.266 7.506 1.00 0.00 N ATOM 741 CA LYS 1 55 -8.273 0.367 8.969 1.00 0.00 C ATOM 742 C LYS 1 55 -8.033 -0.983 9.636 1.00 0.00 C ATOM 743 O LYS 1 55 -8.670 -1.982 9.291 1.00 0.00 O ATOM 744 CB LYS 1 55 -9.606 0.948 9.442 1.00 0.00 C ATOM 745 CG LYS 1 55 -9.658 1.214 10.937 1.00 0.00 C ATOM 746 CD LYS 1 55 -8.884 2.469 11.306 1.00 0.00 C ATOM 747 CE LYS 1 55 -8.221 2.335 12.668 1.00 0.00 C ATOM 748 NZ LYS 1 55 -6.987 3.162 12.769 1.00 0.00 N ATOM 0 H LYS 1 55 -8.790 0.997 7.035 1.00 0.00 H new ATOM 0 HA LYS 1 55 -7.459 1.031 9.259 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -9.796 1.880 8.909 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -10.408 0.259 9.176 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -10.696 1.319 11.253 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -9.246 0.360 11.474 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -8.125 2.666 10.549 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -9.558 3.325 11.311 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -8.924 2.636 13.445 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -7.973 1.289 12.850 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -6.565 3.043 13.712 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -6.306 2.859 12.044 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -7.227 4.163 12.621 1.00 0.00 H new ATOM 762 N ALA 1 56 -7.103 -1.008 10.589 1.00 0.00 N ATOM 763 CA ALA 1 56 -6.775 -2.235 11.301 1.00 0.00 C ATOM 764 C ALA 1 56 -8.039 -2.990 11.677 1.00 0.00 C ATOM 765 O ALA 1 56 -8.975 -2.418 12.236 1.00 0.00 O ATOM 766 CB ALA 1 56 -5.957 -1.940 12.543 1.00 0.00 C ATOM 0 H ALA 1 56 -6.566 -0.192 10.883 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.178 -2.858 10.635 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -5.725 -2.873 13.056 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -5.030 -1.443 12.258 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -6.527 -1.292 13.209 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.070 -4.267 11.345 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.238 -5.073 11.632 1.00 0.00 C ATOM 774 C GLY 1 57 -9.937 -5.510 10.362 1.00 0.00 C ATOM 775 O GLY 1 57 -10.857 -6.327 10.398 1.00 0.00 O ATOM 0 H GLY 1 57 -7.308 -4.763 10.882 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -8.943 -5.951 12.207 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -9.930 -4.504 12.252 1.00 0.00 H new ATOM 779 N THR 1 58 -9.485 -4.970 9.231 1.00 0.00 N ATOM 780 CA THR 1 58 -10.051 -5.313 7.936 1.00 0.00 C ATOM 781 C THR 1 58 -9.454 -6.620 7.423 1.00 0.00 C ATOM 782 O THR 1 58 -8.288 -6.664 7.033 1.00 0.00 O ATOM 783 CB THR 1 58 -9.777 -4.195 6.931 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.340 -2.972 7.372 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.328 -4.486 5.554 1.00 0.00 C ATOM 0 H THR 1 58 -8.725 -4.291 9.190 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.128 -5.437 8.052 1.00 0.00 H new ATOM 0 HB THR 1 58 -8.691 -4.125 6.864 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -9.853 -2.653 8.161 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.100 -3.654 4.888 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.873 -5.397 5.165 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.408 -4.617 5.615 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.252 -7.683 7.422 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.780 -8.978 6.950 1.00 0.00 C ATOM 795 C VAL 1 59 -9.517 -8.939 5.449 1.00 0.00 C ATOM 796 O VAL 1 59 -10.411 -8.626 4.663 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.790 -10.103 7.258 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -12.103 -9.864 6.528 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -10.206 -11.460 6.893 1.00 0.00 C ATOM 0 H VAL 1 59 -11.221 -7.673 7.740 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.852 -9.191 7.481 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.994 -10.097 8.329 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.800 -10.669 6.760 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.529 -8.913 6.847 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.922 -9.839 5.453 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.933 -12.241 7.117 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.969 -11.480 5.829 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -9.298 -11.633 7.471 1.00 0.00 H new ATOM 809 N CYS 1 60 -8.287 -9.250 5.053 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.926 -9.235 3.635 1.00 0.00 C ATOM 811 C CYS 1 60 -7.370 -10.581 3.169 1.00 0.00 C ATOM 812 O CYS 1 60 -7.189 -10.799 1.971 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.903 -8.128 3.334 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.566 -6.994 4.721 1.00 0.00 S ATOM 0 H CYS 1 60 -7.529 -9.513 5.683 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.845 -9.035 3.085 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.966 -8.593 3.029 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -7.260 -7.544 2.486 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.089 -11.478 4.109 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.544 -12.788 3.763 1.00 0.00 C ATOM 821 C ARG 1 61 -6.907 -13.840 4.808 1.00 0.00 C ATOM 822 O ARG 1 61 -7.612 -13.555 5.777 1.00 0.00 O ATOM 823 CB ARG 1 61 -5.023 -12.703 3.609 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.546 -12.891 2.178 1.00 0.00 C ATOM 825 CD ARG 1 61 -3.272 -13.719 2.116 1.00 0.00 C ATOM 826 NE ARG 1 61 -2.265 -13.248 3.064 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.582 -12.114 2.920 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.794 -11.333 1.867 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.686 -11.761 3.830 1.00 0.00 N ATOM 0 H ARG 1 61 -7.228 -11.325 5.108 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.986 -13.092 2.814 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.683 -11.733 3.972 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.559 -13.461 4.241 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -5.327 -13.380 1.595 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.370 -11.917 1.722 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -3.507 -14.762 2.326 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.864 -13.681 1.106 1.00 0.00 H new ATOM 0 HE ARG 1 61 -2.074 -13.822 3.885 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.483 -11.601 1.164 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.268 -10.465 1.761 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.520 -12.358 4.640 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.163 -10.892 3.720 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.416 -15.056 4.599 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.674 -16.165 5.509 1.00 0.00 C ATOM 845 C ILE 1 62 -5.658 -17.277 5.289 1.00 0.00 C ATOM 846 O ILE 1 62 -5.490 -17.766 4.172 1.00 0.00 O ATOM 847 CB ILE 1 62 -8.098 -16.757 5.348 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.922 -15.973 4.321 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.812 -16.780 6.691 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.252 -15.853 2.969 1.00 0.00 C ATOM 0 H ILE 1 62 -5.832 -15.300 3.799 1.00 0.00 H new ATOM 0 HA ILE 1 62 -6.589 -15.759 6.517 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.995 -17.778 4.980 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.889 -16.460 4.196 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -9.116 -14.974 4.711 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.811 -17.198 6.565 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.248 -17.394 7.393 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -8.890 -15.764 7.079 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.893 -15.286 2.294 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.297 -15.339 3.080 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.082 -16.848 2.558 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.980 -17.669 6.358 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.976 -18.722 6.282 1.00 0.00 C ATOM 864 C ALA 1 63 -4.525 -19.969 5.599 1.00 0.00 C ATOM 865 O ALA 1 63 -4.198 -20.251 4.447 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.460 -19.059 7.671 1.00 0.00 C ATOM 0 H ALA 1 63 -5.107 -17.274 7.290 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.148 -18.352 5.678 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.711 -19.847 7.599 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -3.012 -18.172 8.118 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.287 -19.400 8.294 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.358 -20.714 6.316 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.947 -21.934 5.771 1.00 0.00 C ATOM 874 C ARG 1 64 -7.079 -22.446 6.658 1.00 0.00 C ATOM 875 O ARG 1 64 -7.060 -23.591 7.113 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.870 -23.013 5.607 1.00 0.00 C ATOM 877 CG ARG 1 64 -4.436 -23.232 4.166 1.00 0.00 C ATOM 878 CD ARG 1 64 -5.626 -23.499 3.259 1.00 0.00 C ATOM 879 NE ARG 1 64 -5.292 -24.417 2.172 1.00 0.00 N ATOM 880 CZ ARG 1 64 -5.193 -25.736 2.321 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -5.402 -26.295 3.506 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -4.885 -26.498 1.281 1.00 0.00 N ATOM 0 H ARG 1 64 -5.641 -20.497 7.272 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.367 -21.699 4.793 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.999 -22.737 6.201 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.246 -23.953 6.010 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -3.896 -22.354 3.810 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -3.744 -24.073 4.117 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -6.443 -23.916 3.847 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -5.982 -22.557 2.841 1.00 0.00 H new ATOM 0 HE ARG 1 64 -5.125 -24.024 1.246 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -5.640 -25.713 4.309 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -5.325 -27.306 3.614 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -4.724 -26.073 0.368 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -4.809 -27.509 1.394 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.068 -21.594 6.897 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.193 -21.982 7.726 1.00 0.00 C ATOM 898 C GLY 1 65 -9.791 -20.809 8.472 1.00 0.00 C ATOM 899 O GLY 1 65 -10.459 -19.963 7.879 1.00 0.00 O ATOM 0 H GLY 1 65 -8.111 -20.642 6.532 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.960 -22.441 7.102 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.870 -22.738 8.442 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.547 -20.757 9.776 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.064 -19.674 10.603 1.00 0.00 C ATOM 905 C ASP 1 66 -9.529 -19.767 12.027 1.00 0.00 C ATOM 906 O ASP 1 66 -10.184 -20.309 12.917 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.592 -19.696 10.617 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.195 -18.742 9.605 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.660 -17.624 9.450 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.202 -19.113 8.966 1.00 0.00 O ATOM 0 H ASP 1 66 -8.996 -21.450 10.282 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.726 -18.732 10.170 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.940 -20.708 10.410 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.947 -19.435 11.614 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.334 -19.232 12.230 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.692 -19.243 13.540 1.00 0.00 C ATOM 917 C TRP 1 67 -7.422 -17.820 14.001 1.00 0.00 C ATOM 918 O TRP 1 67 -8.042 -17.323 14.941 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.377 -20.027 13.477 1.00 0.00 C ATOM 920 CG TRP 1 67 -6.041 -20.505 12.101 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.557 -19.757 11.069 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -6.182 -21.835 11.603 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.384 -20.546 9.959 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.761 -21.827 10.263 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.622 -23.033 12.165 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.767 -22.970 9.474 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.629 -24.172 11.382 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -6.203 -24.134 10.048 1.00 0.00 C ATOM 0 H TRP 1 67 -7.784 -18.781 11.499 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.360 -19.727 14.253 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.567 -19.396 13.843 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.440 -20.884 14.147 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.342 -18.700 11.118 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.032 -20.230 9.055 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.951 -23.070 13.193 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.440 -22.942 8.445 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.968 -25.106 11.805 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -6.219 -25.040 9.461 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.495 -17.172 13.313 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.127 -15.796 13.618 1.00 0.00 C ATOM 941 C ASN 1 68 -6.709 -14.847 12.575 1.00 0.00 C ATOM 942 O ASN 1 68 -6.963 -13.677 12.858 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.604 -15.645 13.670 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.923 -16.824 14.340 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.540 -16.753 15.507 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.769 -17.917 13.601 1.00 0.00 N ATOM 0 H ASN 1 68 -5.979 -17.580 12.533 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.537 -15.541 14.595 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -4.219 -15.536 12.656 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.351 -14.731 14.207 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.318 -18.741 13.998 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -4.102 -17.932 12.637 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.920 -15.365 11.366 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.478 -14.573 10.274 1.00 0.00 C ATOM 955 C ASP 1 69 -6.552 -13.425 9.900 1.00 0.00 C ATOM 956 O ASP 1 69 -6.037 -12.726 10.769 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.842 -14.015 10.668 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.981 -14.942 10.290 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.931 -16.130 10.671 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.923 -14.479 9.612 1.00 0.00 O ATOM 0 H ASP 1 69 -6.712 -16.332 11.119 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.588 -15.229 9.410 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.862 -13.840 11.744 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.989 -13.049 10.185 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.351 -13.228 8.602 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.491 -12.154 8.126 1.00 0.00 C ATOM 967 C ASP 1 70 -6.194 -10.813 8.244 1.00 0.00 C ATOM 968 O ASP 1 70 -7.306 -10.639 7.746 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.075 -12.398 6.679 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.870 -11.576 6.284 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.830 -10.384 6.644 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.967 -12.124 5.616 1.00 0.00 O ATOM 0 H ASP 1 70 -6.770 -13.795 7.865 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.597 -12.137 8.749 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.852 -13.456 6.541 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.908 -12.159 6.018 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.547 -9.869 8.919 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.133 -8.554 9.117 1.00 0.00 C ATOM 979 C TYR 1 71 -5.148 -7.428 8.867 1.00 0.00 C ATOM 980 O TYR 1 71 -3.977 -7.511 9.234 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.664 -8.445 10.536 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.004 -9.094 10.706 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.148 -8.453 10.276 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.124 -10.346 11.283 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.387 -9.033 10.418 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.356 -10.942 11.431 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.490 -10.282 10.998 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.725 -10.872 11.143 1.00 0.00 O ATOM 0 H TYR 1 71 -4.623 -9.991 9.334 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.939 -8.450 8.391 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -5.953 -8.906 11.222 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.737 -7.393 10.812 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.069 -7.477 9.819 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.238 -10.863 11.622 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.272 -8.516 10.079 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.436 -11.920 11.883 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.621 -11.749 11.568 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.649 -6.360 8.259 1.00 0.00 N ATOM 999 CA CYS 1 72 -4.837 -5.191 7.975 1.00 0.00 C ATOM 1000 C CYS 1 72 -4.478 -4.477 9.274 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.059 -4.756 10.324 1.00 0.00 O ATOM 1002 CB CYS 1 72 -5.586 -4.244 7.041 1.00 0.00 C ATOM 1003 SG CYS 1 72 -4.894 -4.167 5.359 1.00 0.00 S ATOM 0 H CYS 1 72 -6.619 -6.283 7.953 1.00 0.00 H new ATOM 0 HA CYS 1 72 -3.918 -5.510 7.484 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.628 -4.558 6.981 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -5.579 -3.243 7.472 1.00 0.00 H new ATOM 1008 N THR 1 73 -3.522 -3.560 9.203 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.094 -2.819 10.384 1.00 0.00 C ATOM 1010 C THR 1 73 -3.265 -1.312 10.192 1.00 0.00 C ATOM 1011 O THR 1 73 -2.789 -0.519 11.004 1.00 0.00 O ATOM 1012 CB THR 1 73 -1.637 -3.148 10.708 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -0.764 -2.525 9.783 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.346 -4.634 10.689 1.00 0.00 C ATOM 0 H THR 1 73 -3.030 -3.312 8.345 1.00 0.00 H new ATOM 0 HA THR 1 73 -3.726 -3.122 11.219 1.00 0.00 H new ATOM 0 HB THR 1 73 -1.471 -2.773 11.718 1.00 0.00 H new ATOM 0 HG1 THR 1 73 0.164 -2.746 10.009 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.296 -4.802 10.927 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -1.970 -5.136 11.428 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -1.563 -5.035 9.699 1.00 0.00 H new ATOM 1022 N GLY 1 74 -3.950 -0.922 9.118 1.00 0.00 N ATOM 1023 CA GLY 1 74 -4.173 0.489 8.848 1.00 0.00 C ATOM 1024 C GLY 1 74 -2.896 1.308 8.893 1.00 0.00 C ATOM 1025 O GLY 1 74 -2.935 2.516 9.125 1.00 0.00 O ATOM 0 H GLY 1 74 -4.354 -1.558 8.431 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -4.634 0.597 7.866 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -4.879 0.886 9.577 1.00 0.00 H new ATOM 1029 N LYS 1 75 -1.762 0.650 8.676 1.00 0.00 N ATOM 1030 CA LYS 1 75 -0.470 1.328 8.698 1.00 0.00 C ATOM 1031 C LYS 1 75 0.296 1.112 7.394 1.00 0.00 C ATOM 1032 O LYS 1 75 1.187 1.891 7.055 1.00 0.00 O ATOM 1033 CB LYS 1 75 0.366 0.833 9.880 1.00 0.00 C ATOM 1034 CG LYS 1 75 -0.073 1.404 11.218 1.00 0.00 C ATOM 1035 CD LYS 1 75 1.081 1.459 12.206 1.00 0.00 C ATOM 1036 CE LYS 1 75 0.620 1.136 13.618 1.00 0.00 C ATOM 1037 NZ LYS 1 75 0.802 -0.305 13.947 1.00 0.00 N ATOM 0 H LYS 1 75 -1.711 -0.350 8.483 1.00 0.00 H new ATOM 0 HA LYS 1 75 -0.657 2.396 8.808 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 0.311 -0.255 9.923 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 1.411 1.092 9.709 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -0.477 2.406 11.072 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -0.877 0.793 11.629 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 1.854 0.753 11.904 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 1.531 2.452 12.187 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 1.178 1.744 14.330 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -0.431 1.403 13.726 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 0.476 -0.483 14.918 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 0.249 -0.885 13.284 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 1.809 -0.554 13.869 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.047 0.051 6.668 1.00 0.00 N ATOM 1052 CA SER 1 76 0.620 -0.256 5.409 1.00 0.00 C ATOM 1053 C SER 1 76 -0.344 -0.895 4.416 1.00 0.00 C ATOM 1054 O SER 1 76 -1.500 -1.159 4.740 1.00 0.00 O ATOM 1055 CB SER 1 76 1.806 -1.191 5.654 1.00 0.00 C ATOM 1056 OG SER 1 76 2.996 -0.456 5.884 1.00 0.00 O ATOM 0 H SER 1 76 -0.780 -0.608 6.930 1.00 0.00 H new ATOM 0 HA SER 1 76 0.980 0.681 4.983 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.598 -1.830 6.512 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.940 -1.846 4.793 1.00 0.00 H new ATOM 0 HG SER 1 76 2.774 0.405 6.295 1.00 0.00 H new ATOM 1062 N SER 1 77 0.150 -1.148 3.208 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.650 -1.769 2.154 1.00 0.00 C ATOM 1064 C SER 1 77 -0.609 -3.291 2.264 1.00 0.00 C ATOM 1065 O SER 1 77 -1.022 -3.998 1.345 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.131 -1.336 0.781 1.00 0.00 C ATOM 1067 OG SER 1 77 0.933 -2.167 0.349 1.00 0.00 O ATOM 0 H SER 1 77 1.108 -0.931 2.932 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.683 -1.442 2.272 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.943 -1.373 0.054 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.208 -0.301 0.827 1.00 0.00 H new ATOM 0 HG SER 1 77 0.992 -2.141 -0.629 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.097 -3.792 3.387 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.010 -5.231 3.598 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.994 -5.726 4.633 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.391 -4.990 5.537 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.429 -5.595 4.038 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.458 -5.316 2.960 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.266 -5.787 1.819 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.456 -4.625 3.257 1.00 0.00 O ATOM 0 H ASP 1 78 0.248 -3.224 4.161 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.216 -5.720 2.650 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.684 -5.031 4.935 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.464 -6.651 4.305 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.393 -6.985 4.490 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.345 -7.607 5.403 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.776 -8.916 5.956 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.812 -9.947 5.285 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.664 -7.880 4.677 1.00 0.00 C ATOM 1090 SG CYS 1 79 -5.117 -7.948 5.773 1.00 0.00 S ATOM 0 H CYS 1 79 -1.068 -7.600 3.743 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.528 -6.925 6.233 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.822 -7.103 3.930 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.582 -8.826 4.141 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.231 -8.892 7.187 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.644 -10.084 7.819 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.689 -11.116 8.248 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.731 -10.768 8.802 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.070 -9.513 9.046 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.681 -8.270 9.372 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.130 -7.703 8.054 1.00 0.00 C ATOM 0 HA PRO 1 80 0.006 -10.622 7.129 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.052 -10.217 9.878 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.117 -9.299 8.832 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.534 -8.486 10.015 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.050 -7.561 9.908 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.087 -7.188 8.143 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.414 -6.980 7.663 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.390 -12.392 7.993 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.291 -13.496 8.356 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.797 -13.346 9.787 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.877 -13.827 10.128 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.590 -14.861 8.243 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.322 -14.857 7.450 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.926 -14.511 7.885 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.182 -15.229 6.083 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.832 -14.644 6.861 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.173 -15.085 5.743 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.080 -15.670 5.116 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.653 -15.370 4.470 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.607 -15.953 3.848 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.751 -15.803 3.535 1.00 0.00 C ATOM 0 H TRP 1 81 -0.529 -12.690 7.535 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.125 -13.453 7.656 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -1.372 -15.225 9.247 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.282 -15.571 7.790 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.165 -14.182 8.885 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.831 -14.447 6.923 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.127 -15.789 5.352 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.699 -15.254 4.227 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.294 -16.295 3.088 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.093 -16.033 2.537 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.982 -12.705 10.619 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.292 -12.500 12.037 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.764 -13.668 12.863 1.00 0.00 C ATOM 1136 O ASN 1 82 -2.276 -13.965 13.942 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.799 -12.348 12.260 1.00 0.00 C ATOM 1138 CG ASN 1 82 -4.126 -11.648 13.565 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -3.558 -11.960 14.611 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -5.049 -10.695 13.509 1.00 0.00 N ATOM 0 H ASN 1 82 -1.086 -12.311 10.332 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.805 -11.579 12.357 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.231 -11.786 11.432 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.265 -13.333 12.253 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -5.312 -10.189 14.355 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -5.495 -10.468 12.620 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.744 -14.338 12.333 1.00 0.00 N ATOM 1148 CA HIS 1 83 -0.149 -15.487 13.000 1.00 0.00 C ATOM 1149 C HIS 1 83 1.219 -15.139 13.577 1.00 0.00 C ATOM 1150 O HIS 1 83 2.176 -15.000 12.787 1.00 0.00 O ATOM 1151 CB HIS 1 83 -0.025 -16.649 12.013 1.00 0.00 C ATOM 1152 CG HIS 1 83 -1.333 -17.048 11.405 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.619 -18.336 11.008 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.442 -16.320 11.128 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -2.843 -18.379 10.514 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.362 -17.170 10.576 1.00 0.00 N ATOM 1157 OXT HIS 1 83 1.323 -15.008 14.815 1.00 0.00 O ATOM 0 H HIS 1 83 -0.312 -14.102 11.440 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.797 -15.781 13.826 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.668 -16.370 11.219 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.407 -17.508 12.526 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.575 -15.264 11.309 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.336 -19.258 10.125 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -4.297 -16.910 10.263 1.00 0.00 H new