USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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 :FLIP amide:sc= -0.832 F(o=-11,f=-8.7) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -7.86! C(o=-11!,f=-8.7!) USER MOD Set 2.1: 1 37 THR OG1 : rot 32:sc= -3.88! USER MOD Set 2.2: 1 40 SER OG : rot 70:sc= 1.69 USER MOD Set 3.1: 1 30 ASN :FLIP amide:sc= -2.9! C(o=-9.6!,f=-6.4!) USER MOD Set 3.2: 1 33 THR OG1 : rot -130:sc= -3.54! USER MOD Single : 1 7 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.026) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -5.73! C(o=-5.7!,f=-19!) USER MOD Single : 1 20 SER OG : rot 8:sc= 0.887 USER MOD Single : 1 23 ASN :FLIP amide:sc= -1.17 F(o=-3.1,f=-1.2) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -3.27 X(o=-3.3,f=-3.4) USER MOD Single : 1 43 ASN : amide:sc= -0.123 X(o=-0.12,f=0.055) USER MOD Single : 1 44 TYR OH : rot 160:sc= 0.402 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : 1 54 LYS NZ :NH3+ -128:sc= 0.0628 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 75:sc= 0.705 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= -0.863 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.0803 USER MOD Single : 1 77 SER OG : rot 20:sc= 0.0185 USER MOD Single : 1 82 ASN : amide:sc= -0.902 X(o=-0.9,f=-0.41!) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.589 17.821 11.733 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.219 16.854 10.740 1.00 0.00 C ATOM 44 C VAL 1 4 0.120 17.240 10.134 1.00 0.00 C ATOM 45 O VAL 1 4 0.176 17.980 9.151 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.291 16.761 9.625 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.578 15.315 9.276 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -3.586 17.462 10.021 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.142 15.878 11.219 1.00 0.00 H new ATOM 0 HB VAL 1 4 -1.886 17.269 8.750 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.333 15.273 8.491 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -1.663 14.837 8.925 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -2.944 14.793 10.160 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.310 17.373 9.211 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -3.990 16.999 10.922 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -3.385 18.516 10.214 1.00 0.00 H new ATOM 58 N CYS 1 5 1.200 16.753 10.733 1.00 0.00 N ATOM 59 CA CYS 1 5 2.529 17.080 10.241 1.00 0.00 C ATOM 60 C CYS 1 5 2.730 16.435 8.874 1.00 0.00 C ATOM 61 O CYS 1 5 3.024 15.249 8.750 1.00 0.00 O ATOM 62 CB CYS 1 5 3.608 16.665 11.269 1.00 0.00 C ATOM 63 SG CYS 1 5 4.306 14.982 11.097 1.00 0.00 S ATOM 0 H CYS 1 5 1.182 16.140 11.548 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.628 18.158 10.116 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 4.428 17.381 11.209 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 3.179 16.755 12.267 1.00 0.00 H new ATOM 68 N GLY 1 6 2.510 17.241 7.841 1.00 0.00 N ATOM 69 CA GLY 1 6 2.610 16.763 6.478 1.00 0.00 C ATOM 70 C GLY 1 6 1.241 16.637 5.825 1.00 0.00 C ATOM 71 O GLY 1 6 1.102 16.015 4.773 1.00 0.00 O ATOM 0 H GLY 1 6 2.262 18.227 7.927 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 3.229 17.447 5.897 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 3.109 15.794 6.468 1.00 0.00 H new ATOM 75 N ASN 1 7 0.224 17.230 6.459 1.00 0.00 N ATOM 76 CA ASN 1 7 -1.143 17.184 5.943 1.00 0.00 C ATOM 77 C ASN 1 7 -1.662 15.755 5.899 1.00 0.00 C ATOM 78 O ASN 1 7 -1.026 14.871 5.324 1.00 0.00 O ATOM 79 CB ASN 1 7 -1.209 17.805 4.546 1.00 0.00 C ATOM 80 CG ASN 1 7 -1.425 19.305 4.591 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -0.634 20.075 4.045 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -2.501 19.729 5.244 1.00 0.00 N ATOM 0 H ASN 1 7 0.325 17.748 7.332 1.00 0.00 H new ATOM 0 HA ASN 1 7 -1.775 17.760 6.619 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -0.284 17.590 4.011 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -2.018 17.341 3.983 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -2.698 20.728 5.308 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -3.130 19.056 5.682 1.00 0.00 H new ATOM 89 N LYS 1 8 -2.825 15.532 6.511 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.431 14.204 6.539 1.00 0.00 C ATOM 91 C LYS 1 8 -3.418 13.603 5.144 1.00 0.00 C ATOM 92 O LYS 1 8 -4.213 13.989 4.287 1.00 0.00 O ATOM 93 CB LYS 1 8 -4.866 14.280 7.066 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.217 13.166 8.039 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.050 11.797 7.401 1.00 0.00 C ATOM 96 CE LYS 1 8 -5.332 10.682 8.395 1.00 0.00 C ATOM 97 NZ LYS 1 8 -6.754 10.244 8.351 1.00 0.00 N ATOM 0 H LYS 1 8 -3.364 16.252 6.992 1.00 0.00 H new ATOM 0 HA LYS 1 8 -2.851 13.568 7.208 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.013 15.241 7.559 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.556 14.245 6.223 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -4.581 13.238 8.921 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.246 13.288 8.378 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.725 11.706 6.550 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.035 11.695 7.016 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -4.684 9.832 8.181 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -5.088 11.023 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -6.904 9.483 9.044 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -7.372 11.048 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -6.980 9.895 7.398 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.493 12.679 4.904 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.386 12.074 3.578 1.00 0.00 C ATOM 113 C ILE 1 9 -3.724 11.577 3.073 1.00 0.00 C ATOM 114 O ILE 1 9 -4.323 10.659 3.633 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.386 10.910 3.496 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.849 9.732 4.365 1.00 0.00 C ATOM 117 CG2 ILE 1 9 0.013 11.382 3.846 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -0.780 9.135 5.253 1.00 0.00 C ATOM 0 H ILE 1 9 -1.821 12.338 5.591 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.016 12.885 2.950 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.349 10.546 2.469 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -2.676 10.065 4.991 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.238 8.950 3.713 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.706 10.543 3.782 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 0.320 12.161 3.147 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 0.019 11.782 4.860 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -1.203 8.311 5.827 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 0.040 8.765 4.637 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -0.406 9.898 5.935 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.165 12.182 1.991 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.416 11.811 1.360 1.00 0.00 C ATOM 132 C LEU 1 10 -5.157 10.845 0.208 1.00 0.00 C ATOM 133 O LEU 1 10 -5.978 10.712 -0.699 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.151 13.065 0.868 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.573 13.755 -0.379 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -6.045 15.199 -0.438 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.049 13.709 -0.397 1.00 0.00 C ATOM 0 H LEU 1 10 -3.670 12.942 1.525 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.049 11.308 2.092 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.186 12.794 0.659 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.170 13.790 1.681 1.00 0.00 H new ATOM 0 HG LEU 1 10 -5.933 13.213 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -5.631 15.681 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -7.134 15.224 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -5.709 15.728 0.453 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.681 14.207 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.659 14.216 0.486 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -3.716 12.671 -0.396 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.000 10.172 0.253 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.618 9.218 -0.787 1.00 0.00 C ATOM 151 C GLU 1 11 -2.143 8.825 -0.678 1.00 0.00 C ATOM 152 O GLU 1 11 -1.418 8.846 -1.674 1.00 0.00 O ATOM 153 CB GLU 1 11 -3.870 9.817 -2.169 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.432 11.267 -2.283 1.00 0.00 C ATOM 155 CD GLU 1 11 -2.873 11.603 -3.651 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -2.281 10.706 -4.288 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -3.027 12.763 -4.087 1.00 0.00 O ATOM 0 H GLU 1 11 -3.314 10.273 1.001 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.227 8.325 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.341 9.225 -2.916 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -4.933 9.746 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -4.282 11.917 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.677 11.475 -1.525 1.00 0.00 H new ATOM 164 N GLN 1 12 -1.693 8.462 0.520 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.298 8.068 0.704 1.00 0.00 C ATOM 166 C GLN 1 12 -0.162 6.877 1.651 1.00 0.00 C ATOM 167 O GLN 1 12 0.358 5.827 1.272 1.00 0.00 O ATOM 168 CB GLN 1 12 0.536 9.239 1.223 1.00 0.00 C ATOM 169 CG GLN 1 12 0.657 10.393 0.237 1.00 0.00 C ATOM 170 CD GLN 1 12 -0.351 11.496 0.491 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -1.558 11.289 0.373 1.00 0.00 O ATOM 172 NE2 GLN 1 12 0.141 12.679 0.842 1.00 0.00 N ATOM 0 H GLN 1 12 -2.263 8.432 1.366 1.00 0.00 H new ATOM 0 HA GLN 1 12 0.078 7.767 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 0.091 9.608 2.147 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.535 8.880 1.471 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 1.663 10.808 0.293 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.525 10.014 -0.776 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 1.149 12.807 0.928 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 -0.490 13.460 1.025 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.608 7.058 2.884 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.509 6.002 3.880 1.00 0.00 C ATOM 183 C GLY 1 13 0.936 5.658 4.195 1.00 0.00 C ATOM 184 O GLY 1 13 1.220 4.590 4.730 1.00 0.00 O ATOM 0 H GLY 1 13 -1.039 7.920 3.218 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -1.016 6.315 4.793 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.024 5.112 3.519 1.00 0.00 H new ATOM 188 N GLU 1 14 1.832 6.586 3.842 1.00 0.00 N ATOM 189 CA GLU 1 14 3.286 6.461 4.035 1.00 0.00 C ATOM 190 C GLU 1 14 4.007 6.850 2.755 1.00 0.00 C ATOM 191 O GLU 1 14 5.234 6.928 2.716 1.00 0.00 O ATOM 192 CB GLU 1 14 3.718 5.054 4.477 1.00 0.00 C ATOM 193 CG GLU 1 14 3.566 3.990 3.401 1.00 0.00 C ATOM 194 CD GLU 1 14 4.212 2.673 3.792 1.00 0.00 C ATOM 195 OE1 GLU 1 14 4.696 2.565 4.938 1.00 0.00 O ATOM 196 OE2 GLU 1 14 4.234 1.751 2.951 1.00 0.00 O ATOM 0 H GLU 1 14 1.563 7.467 3.404 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.560 7.139 4.844 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 4.760 5.089 4.794 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.130 4.762 5.347 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 2.507 3.827 3.203 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 4.012 4.349 2.474 1.00 0.00 H new ATOM 203 N ASP 1 15 3.228 7.116 1.713 1.00 0.00 N ATOM 204 CA ASP 1 15 3.767 7.524 0.433 1.00 0.00 C ATOM 205 C ASP 1 15 4.601 8.786 0.594 1.00 0.00 C ATOM 206 O ASP 1 15 5.693 8.894 0.037 1.00 0.00 O ATOM 207 CB ASP 1 15 2.620 7.767 -0.547 1.00 0.00 C ATOM 208 CG ASP 1 15 3.005 7.466 -1.982 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.183 7.681 -2.338 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.129 7.017 -2.750 1.00 0.00 O ATOM 0 H ASP 1 15 2.210 7.054 1.737 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.409 6.734 0.043 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.769 7.147 -0.265 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.297 8.805 -0.472 1.00 0.00 H new ATOM 215 N CYS 1 16 4.083 9.735 1.374 1.00 0.00 N ATOM 216 CA CYS 1 16 4.787 10.985 1.623 1.00 0.00 C ATOM 217 C CYS 1 16 3.890 12.017 2.304 1.00 0.00 C ATOM 218 O CYS 1 16 2.844 12.396 1.777 1.00 0.00 O ATOM 219 CB CYS 1 16 5.358 11.550 0.312 1.00 0.00 C ATOM 220 SG CYS 1 16 5.399 13.376 0.210 1.00 0.00 S ATOM 0 H CYS 1 16 3.180 9.659 1.842 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.610 10.768 2.303 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.372 11.171 0.182 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.765 11.168 -0.519 1.00 0.00 H new ATOM 225 N ASP 1 17 4.333 12.481 3.471 1.00 0.00 N ATOM 226 CA ASP 1 17 3.615 13.493 4.239 1.00 0.00 C ATOM 227 C ASP 1 17 2.443 12.888 4.997 1.00 0.00 C ATOM 228 O ASP 1 17 1.341 13.435 4.985 1.00 0.00 O ATOM 229 CB ASP 1 17 3.133 14.626 3.322 1.00 0.00 C ATOM 230 CG ASP 1 17 3.630 15.987 3.772 1.00 0.00 C ATOM 231 OD1 ASP 1 17 4.681 16.043 4.444 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.967 16.996 3.452 1.00 0.00 O ATOM 0 H ASP 1 17 5.198 12.166 3.909 1.00 0.00 H new ATOM 0 HA ASP 1 17 4.309 13.907 4.971 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 3.474 14.436 2.304 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 2.043 14.630 3.297 1.00 0.00 H new ATOM 237 N CYS 1 18 2.697 11.757 5.663 1.00 0.00 N ATOM 238 CA CYS 1 18 1.672 11.060 6.442 1.00 0.00 C ATOM 239 C CYS 1 18 0.670 12.029 7.052 1.00 0.00 C ATOM 240 O CYS 1 18 -0.525 11.745 7.099 1.00 0.00 O ATOM 241 CB CYS 1 18 2.301 10.229 7.565 1.00 0.00 C ATOM 242 SG CYS 1 18 1.638 8.536 7.688 1.00 0.00 S ATOM 0 H CYS 1 18 3.610 11.303 5.677 1.00 0.00 H new ATOM 0 HA CYS 1 18 1.150 10.402 5.748 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 3.378 10.177 7.406 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 2.144 10.741 8.515 1.00 0.00 H new ATOM 247 N GLY 1 19 1.165 13.166 7.527 1.00 0.00 N ATOM 248 CA GLY 1 19 0.291 14.142 8.142 1.00 0.00 C ATOM 249 C GLY 1 19 -0.276 13.631 9.440 1.00 0.00 C ATOM 250 O GLY 1 19 -0.028 14.207 10.497 1.00 0.00 O ATOM 0 H GLY 1 19 2.151 13.427 7.497 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.843 15.064 8.322 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -0.523 14.386 7.459 1.00 0.00 H new ATOM 254 N SER 1 20 -1.042 12.545 9.367 1.00 0.00 N ATOM 255 CA SER 1 20 -1.646 11.971 10.551 1.00 0.00 C ATOM 256 C SER 1 20 -0.594 11.754 11.624 1.00 0.00 C ATOM 257 O SER 1 20 0.215 10.830 11.546 1.00 0.00 O ATOM 258 CB SER 1 20 -2.352 10.660 10.217 1.00 0.00 C ATOM 259 OG SER 1 20 -1.432 9.585 10.147 1.00 0.00 O ATOM 0 H SER 1 20 -1.254 12.051 8.500 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.392 12.669 10.931 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.107 10.447 10.974 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -2.874 10.758 9.265 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.550 9.889 10.449 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.584 12.634 12.631 1.00 0.00 N ATOM 266 CA PRO 1 21 0.385 12.572 13.718 1.00 0.00 C ATOM 267 C PRO 1 21 0.374 11.233 14.430 1.00 0.00 C ATOM 268 O PRO 1 21 1.359 10.854 15.064 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.028 13.711 14.650 1.00 0.00 C ATOM 270 CG PRO 1 21 -0.825 14.637 13.793 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.506 13.771 12.772 1.00 0.00 C ATOM 0 HA PRO 1 21 1.408 12.675 13.356 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.619 13.341 15.488 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.843 14.213 15.071 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.555 15.188 14.387 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.182 15.375 13.313 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.492 13.451 13.108 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.646 14.296 11.827 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.717 10.492 14.289 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.797 9.171 14.888 1.00 0.00 C ATOM 281 C ALA 1 22 0.318 8.297 14.320 1.00 0.00 C ATOM 282 O ALA 1 22 0.678 7.269 14.895 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.159 8.546 14.626 1.00 0.00 C ATOM 0 H ALA 1 22 -1.548 10.780 13.772 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.673 9.255 15.968 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.199 7.557 15.082 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.937 9.176 15.056 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.318 8.456 13.551 1.00 0.00 H new ATOM 289 N ASN 1 23 0.864 8.731 13.179 1.00 0.00 N ATOM 290 CA ASN 1 23 1.940 8.019 12.512 1.00 0.00 C ATOM 291 C ASN 1 23 3.045 8.982 12.062 1.00 0.00 C ATOM 292 O ASN 1 23 3.874 8.626 11.225 1.00 0.00 O ATOM 293 CB ASN 1 23 1.392 7.263 11.300 1.00 0.00 C ATOM 294 CG ASN 1 23 0.161 6.442 11.636 1.00 0.00 C ATOM 295 OD1 ASN 1 23 0.165 5.817 12.808 1.00 0.00 O flip ATOM 296 ND2 ASN 1 23 -0.784 6.371 10.850 1.00 0.00 N flip ATOM 0 H ASN 1 23 0.569 9.582 12.700 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.369 7.312 13.222 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.146 7.975 10.512 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.167 6.606 10.905 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -0.745 6.867 9.960 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -1.606 5.816 11.089 1.00 0.00 H new ATOM 303 N CYS 1 24 3.058 10.200 12.616 1.00 0.00 N ATOM 304 CA CYS 1 24 4.076 11.187 12.249 1.00 0.00 C ATOM 305 C CYS 1 24 5.461 10.688 12.647 1.00 0.00 C ATOM 306 O CYS 1 24 5.986 11.054 13.699 1.00 0.00 O ATOM 307 CB CYS 1 24 3.802 12.554 12.905 1.00 0.00 C ATOM 308 SG CYS 1 24 2.882 13.746 11.859 1.00 0.00 S ATOM 0 H CYS 1 24 2.384 10.522 13.311 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.035 11.318 11.168 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.240 12.392 13.825 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 4.755 13.002 13.188 1.00 0.00 H new ATOM 313 N GLN 1 25 6.044 9.843 11.801 1.00 0.00 N ATOM 314 CA GLN 1 25 7.364 9.283 12.062 1.00 0.00 C ATOM 315 C GLN 1 25 7.322 8.343 13.264 1.00 0.00 C ATOM 316 O GLN 1 25 8.180 8.402 14.145 1.00 0.00 O ATOM 317 CB GLN 1 25 8.383 10.402 12.300 1.00 0.00 C ATOM 318 CG GLN 1 25 9.667 10.234 11.503 1.00 0.00 C ATOM 319 CD GLN 1 25 10.860 9.908 12.380 1.00 0.00 C ATOM 320 OE1 GLN 1 25 10.989 8.791 12.882 1.00 0.00 O ATOM 321 NE2 GLN 1 25 11.740 10.884 12.569 1.00 0.00 N ATOM 0 H GLN 1 25 5.621 9.531 10.927 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.671 8.711 11.186 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.927 11.358 12.042 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 8.626 10.441 13.362 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 9.533 9.440 10.769 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 9.868 11.150 10.948 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 11.593 11.795 12.133 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 12.563 10.723 13.150 1.00 0.00 H new ATOM 330 N ASP 1 26 6.313 7.476 13.295 1.00 0.00 N ATOM 331 CA ASP 1 26 6.155 6.526 14.390 1.00 0.00 C ATOM 332 C ASP 1 26 5.752 5.147 13.873 1.00 0.00 C ATOM 333 O ASP 1 26 6.519 4.189 13.971 1.00 0.00 O ATOM 334 CB ASP 1 26 5.111 7.034 15.385 1.00 0.00 C ATOM 335 CG ASP 1 26 5.463 6.689 16.819 1.00 0.00 C ATOM 336 OD1 ASP 1 26 6.636 6.875 17.204 1.00 0.00 O ATOM 337 OD2 ASP 1 26 4.564 6.232 17.557 1.00 0.00 O ATOM 0 H ASP 1 26 5.594 7.413 12.575 1.00 0.00 H new ATOM 0 HA ASP 1 26 7.117 6.434 14.894 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 5.016 8.115 15.287 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 4.140 6.605 15.139 1.00 0.00 H new ATOM 342 N ARG 1 27 4.541 5.050 13.328 1.00 0.00 N ATOM 343 CA ARG 1 27 4.038 3.783 12.805 1.00 0.00 C ATOM 344 C ARG 1 27 4.982 3.211 11.747 1.00 0.00 C ATOM 345 O ARG 1 27 5.877 2.428 12.066 1.00 0.00 O ATOM 346 CB ARG 1 27 2.628 3.965 12.231 1.00 0.00 C ATOM 347 CG ARG 1 27 2.068 2.711 11.572 1.00 0.00 C ATOM 348 CD ARG 1 27 0.871 2.165 12.335 1.00 0.00 C ATOM 349 NE ARG 1 27 1.271 1.240 13.393 1.00 0.00 N ATOM 350 CZ ARG 1 27 0.487 0.897 14.412 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -0.737 1.398 14.516 1.00 0.00 N ATOM 352 NH2 ARG 1 27 0.929 0.049 15.331 1.00 0.00 N ATOM 0 H ARG 1 27 3.892 5.832 13.238 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.989 3.071 13.629 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.957 4.274 13.032 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.645 4.773 11.499 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.774 2.938 10.547 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.845 1.949 11.519 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 0.310 2.992 12.770 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.201 1.655 11.642 1.00 0.00 H new ATOM 0 HE ARG 1 27 2.205 0.834 13.348 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -1.082 2.050 13.812 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -1.333 1.131 15.300 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 1.869 -0.340 15.256 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 0.329 -0.215 16.112 1.00 0.00 H new ATOM 366 N CYS 1 28 4.786 3.606 10.493 1.00 0.00 N ATOM 367 CA CYS 1 28 5.629 3.126 9.407 1.00 0.00 C ATOM 368 C CYS 1 28 5.647 4.126 8.256 1.00 0.00 C ATOM 369 O CYS 1 28 5.767 3.745 7.090 1.00 0.00 O ATOM 370 CB CYS 1 28 5.148 1.754 8.916 1.00 0.00 C ATOM 371 SG CYS 1 28 3.659 1.801 7.863 1.00 0.00 S ATOM 0 H CYS 1 28 4.053 4.255 10.206 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.645 3.021 9.787 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 5.956 1.279 8.359 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 4.944 1.124 9.782 1.00 0.00 H new ATOM 376 N CYS 1 29 5.527 5.405 8.589 1.00 0.00 N ATOM 377 CA CYS 1 29 5.527 6.455 7.577 1.00 0.00 C ATOM 378 C CYS 1 29 6.285 7.684 8.041 1.00 0.00 C ATOM 379 O CYS 1 29 6.544 7.871 9.229 1.00 0.00 O ATOM 380 CB CYS 1 29 4.097 6.843 7.211 1.00 0.00 C ATOM 381 SG CYS 1 29 3.121 7.495 8.602 1.00 0.00 S ATOM 0 H CYS 1 29 5.429 5.740 9.547 1.00 0.00 H new ATOM 0 HA CYS 1 29 6.033 6.056 6.698 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 4.127 7.592 6.420 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.589 5.969 6.803 1.00 0.00 H new ATOM 386 N ASN 1 30 6.630 8.517 7.074 1.00 0.00 N ATOM 387 CA ASN 1 30 7.355 9.743 7.329 1.00 0.00 C ATOM 388 C ASN 1 30 6.471 10.941 7.064 1.00 0.00 C ATOM 389 O ASN 1 30 6.506 11.541 5.989 1.00 0.00 O ATOM 390 CB ASN 1 30 8.608 9.803 6.462 1.00 0.00 C ATOM 391 CG ASN 1 30 9.796 9.129 7.116 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.954 9.343 8.415 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 10.563 8.423 6.461 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.413 8.359 6.090 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.656 9.761 8.377 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.406 9.326 5.503 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.853 10.845 6.255 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.403 8.286 5.463 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 11.358 7.975 6.916 1.00 0.00 H new ATOM 400 N ALA 1 31 5.697 11.288 8.074 1.00 0.00 N ATOM 401 CA ALA 1 31 4.805 12.430 8.000 1.00 0.00 C ATOM 402 C ALA 1 31 5.632 13.700 7.963 1.00 0.00 C ATOM 403 O ALA 1 31 5.234 14.709 7.381 1.00 0.00 O ATOM 404 CB ALA 1 31 3.861 12.434 9.194 1.00 0.00 C ATOM 0 H ALA 1 31 5.668 10.790 8.964 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.202 12.370 7.094 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 3.196 13.295 9.129 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 3.270 11.518 9.194 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 4.440 12.492 10.116 1.00 0.00 H new ATOM 410 N ALA 1 32 6.800 13.623 8.587 1.00 0.00 N ATOM 411 CA ALA 1 32 7.722 14.744 8.635 1.00 0.00 C ATOM 412 C ALA 1 32 8.885 14.545 7.668 1.00 0.00 C ATOM 413 O ALA 1 32 9.893 15.247 7.751 1.00 0.00 O ATOM 414 CB ALA 1 32 8.237 14.923 10.052 1.00 0.00 C ATOM 0 H ALA 1 32 7.131 12.788 9.070 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.187 15.643 8.330 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.929 15.765 10.084 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.399 15.116 10.722 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.754 14.017 10.369 1.00 0.00 H new ATOM 420 N THR 1 33 8.761 13.568 6.770 1.00 0.00 N ATOM 421 CA THR 1 33 9.834 13.278 5.826 1.00 0.00 C ATOM 422 C THR 1 33 9.315 12.970 4.422 1.00 0.00 C ATOM 423 O THR 1 33 10.077 12.542 3.554 1.00 0.00 O ATOM 424 CB THR 1 33 10.667 12.112 6.351 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.223 11.723 7.639 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.127 12.432 6.468 1.00 0.00 C ATOM 0 H THR 1 33 7.938 12.972 6.678 1.00 0.00 H new ATOM 0 HA THR 1 33 10.452 14.172 5.741 1.00 0.00 H new ATOM 0 HB THR 1 33 10.537 11.314 5.620 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.990 11.665 8.246 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.661 11.561 6.847 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.520 12.701 5.488 1.00 0.00 H new ATOM 0 HG23 THR 1 33 12.262 13.267 7.155 1.00 0.00 H new ATOM 434 N CYS 1 34 8.029 13.204 4.195 1.00 0.00 N ATOM 435 CA CYS 1 34 7.426 12.967 2.887 1.00 0.00 C ATOM 436 C CYS 1 34 7.821 11.603 2.307 1.00 0.00 C ATOM 437 O CYS 1 34 8.281 11.511 1.170 1.00 0.00 O ATOM 438 CB CYS 1 34 7.805 14.105 1.929 1.00 0.00 C ATOM 439 SG CYS 1 34 7.377 13.828 0.174 1.00 0.00 S ATOM 0 H CYS 1 34 7.382 13.558 4.899 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.343 12.950 3.012 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.315 15.019 2.265 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.879 14.275 2.001 1.00 0.00 H new ATOM 444 N LYS 1 35 7.634 10.536 3.083 1.00 0.00 N ATOM 445 CA LYS 1 35 7.963 9.200 2.597 1.00 0.00 C ATOM 446 C LYS 1 35 7.508 8.122 3.565 1.00 0.00 C ATOM 447 O LYS 1 35 6.941 8.411 4.614 1.00 0.00 O ATOM 448 CB LYS 1 35 9.463 9.072 2.372 1.00 0.00 C ATOM 449 CG LYS 1 35 9.843 8.871 0.914 1.00 0.00 C ATOM 450 CD LYS 1 35 10.310 7.449 0.650 1.00 0.00 C ATOM 451 CE LYS 1 35 11.817 7.382 0.460 1.00 0.00 C ATOM 452 NZ LYS 1 35 12.348 6.013 0.705 1.00 0.00 N ATOM 0 H LYS 1 35 7.264 10.569 4.033 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.435 9.061 1.654 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.956 9.969 2.747 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.840 8.232 2.956 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.986 9.097 0.279 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 10.634 9.571 0.643 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 10.019 6.809 1.483 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.813 7.061 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 12.069 7.693 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 12.300 8.085 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 13.379 6.010 0.565 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 12.130 5.726 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.907 5.345 0.041 1.00 0.00 H new ATOM 466 N LEU 1 36 7.781 6.875 3.209 1.00 0.00 N ATOM 467 CA LEU 1 36 7.431 5.749 4.064 1.00 0.00 C ATOM 468 C LEU 1 36 8.597 5.465 5.008 1.00 0.00 C ATOM 469 O LEU 1 36 9.588 6.195 5.004 1.00 0.00 O ATOM 470 CB LEU 1 36 7.091 4.494 3.244 1.00 0.00 C ATOM 471 CG LEU 1 36 6.973 4.690 1.729 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.334 4.546 1.067 1.00 0.00 C ATOM 473 CD2 LEU 1 36 5.980 3.693 1.140 1.00 0.00 C ATOM 0 H LEU 1 36 8.242 6.617 2.337 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.540 6.010 4.635 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.857 3.742 3.434 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.148 4.089 3.612 1.00 0.00 H new ATOM 0 HG LEU 1 36 6.604 5.697 1.537 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.232 4.688 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 9.015 5.296 1.469 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 8.732 3.551 1.265 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 5.907 3.845 0.063 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.321 2.678 1.341 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 5.001 3.843 1.595 1.00 0.00 H new ATOM 485 N THR 1 37 8.487 4.419 5.817 1.00 0.00 N ATOM 486 CA THR 1 37 9.556 4.083 6.753 1.00 0.00 C ATOM 487 C THR 1 37 10.376 2.895 6.268 1.00 0.00 C ATOM 488 O THR 1 37 9.917 2.098 5.451 1.00 0.00 O ATOM 489 CB THR 1 37 8.986 3.775 8.133 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.941 2.826 8.040 1.00 0.00 O ATOM 491 CG2 THR 1 37 8.452 4.998 8.845 1.00 0.00 C ATOM 0 H THR 1 37 7.681 3.795 5.846 1.00 0.00 H new ATOM 0 HA THR 1 37 10.212 4.952 6.816 1.00 0.00 H new ATOM 0 HB THR 1 37 9.820 3.380 8.714 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.118 2.216 7.293 1.00 0.00 H new ATOM 0 HG21 THR 1 37 8.061 4.709 9.821 1.00 0.00 H new ATOM 0 HG22 THR 1 37 9.256 5.723 8.976 1.00 0.00 H new ATOM 0 HG23 THR 1 37 7.654 5.445 8.252 1.00 0.00 H new ATOM 499 N PRO 1 38 11.610 2.761 6.783 1.00 0.00 N ATOM 500 CA PRO 1 38 12.511 1.664 6.421 1.00 0.00 C ATOM 501 C PRO 1 38 11.803 0.313 6.380 1.00 0.00 C ATOM 502 O PRO 1 38 10.900 0.049 7.174 1.00 0.00 O ATOM 503 CB PRO 1 38 13.538 1.695 7.549 1.00 0.00 C ATOM 504 CG PRO 1 38 13.621 3.130 7.928 1.00 0.00 C ATOM 505 CD PRO 1 38 12.226 3.673 7.771 1.00 0.00 C ATOM 0 HA PRO 1 38 12.933 1.785 5.423 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.223 1.078 8.391 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.504 1.314 7.218 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 13.973 3.245 8.953 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.324 3.664 7.288 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.684 3.666 8.717 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.234 4.703 7.416 1.00 0.00 H new ATOM 513 N GLY 1 39 12.222 -0.539 5.451 1.00 0.00 N ATOM 514 CA GLY 1 39 11.620 -1.853 5.324 1.00 0.00 C ATOM 515 C GLY 1 39 10.165 -1.795 4.895 1.00 0.00 C ATOM 516 O GLY 1 39 9.444 -2.787 4.996 1.00 0.00 O ATOM 0 H GLY 1 39 12.968 -0.343 4.783 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.185 -2.438 4.598 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.692 -2.374 6.279 1.00 0.00 H new ATOM 520 N SER 1 40 9.731 -0.633 4.413 1.00 0.00 N ATOM 521 CA SER 1 40 8.354 -0.459 3.967 1.00 0.00 C ATOM 522 C SER 1 40 8.300 -0.203 2.465 1.00 0.00 C ATOM 523 O SER 1 40 8.991 0.676 1.950 1.00 0.00 O ATOM 524 CB SER 1 40 7.691 0.697 4.718 1.00 0.00 C ATOM 525 OG SER 1 40 8.000 0.651 6.100 1.00 0.00 O ATOM 0 H SER 1 40 10.313 0.200 4.322 1.00 0.00 H new ATOM 0 HA SER 1 40 7.810 -1.379 4.182 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.025 1.646 4.299 1.00 0.00 H new ATOM 0 HB3 SER 1 40 6.610 0.651 4.582 1.00 0.00 H new ATOM 0 HG SER 1 40 8.946 0.871 6.231 1.00 0.00 H new ATOM 531 N GLN 1 41 7.478 -0.978 1.767 1.00 0.00 N ATOM 532 CA GLN 1 41 7.336 -0.837 0.323 1.00 0.00 C ATOM 533 C GLN 1 41 6.037 -0.120 -0.031 1.00 0.00 C ATOM 534 O GLN 1 41 5.989 0.670 -0.973 1.00 0.00 O ATOM 535 CB GLN 1 41 7.370 -2.210 -0.349 1.00 0.00 C ATOM 536 CG GLN 1 41 8.768 -2.795 -0.468 1.00 0.00 C ATOM 537 CD GLN 1 41 9.009 -3.463 -1.808 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.266 -2.796 -2.810 1.00 0.00 O ATOM 539 NE2 GLN 1 41 8.927 -4.788 -1.831 1.00 0.00 N ATOM 0 H GLN 1 41 6.900 -1.711 2.178 1.00 0.00 H new ATOM 0 HA GLN 1 41 8.171 -0.238 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 6.744 -2.899 0.219 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 6.933 -2.129 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.503 -2.003 -0.324 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.923 -3.522 0.329 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 8.711 -5.301 -0.976 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 9.080 -5.293 -2.704 1.00 0.00 H new ATOM 548 N CYS 1 42 4.986 -0.406 0.728 1.00 0.00 N ATOM 549 CA CYS 1 42 3.684 0.206 0.492 1.00 0.00 C ATOM 550 C CYS 1 42 2.736 -0.072 1.652 1.00 0.00 C ATOM 551 O CYS 1 42 2.760 -1.154 2.239 1.00 0.00 O ATOM 552 CB CYS 1 42 3.088 -0.319 -0.811 1.00 0.00 C ATOM 553 SG CYS 1 42 1.496 0.440 -1.251 1.00 0.00 S ATOM 0 H CYS 1 42 5.010 -1.058 1.512 1.00 0.00 H new ATOM 0 HA CYS 1 42 3.820 1.285 0.413 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 3.798 -0.146 -1.620 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 2.955 -1.398 -0.730 1.00 0.00 H new ATOM 558 N ASN 1 43 1.906 0.912 1.985 1.00 0.00 N ATOM 559 CA ASN 1 43 0.960 0.767 3.084 1.00 0.00 C ATOM 560 C ASN 1 43 -0.465 0.563 2.577 1.00 0.00 C ATOM 561 O ASN 1 43 -1.256 -0.149 3.197 1.00 0.00 O ATOM 562 CB ASN 1 43 1.009 1.993 3.997 1.00 0.00 C ATOM 563 CG ASN 1 43 0.012 1.911 5.138 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.287 1.308 6.176 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -1.153 2.519 4.951 1.00 0.00 N ATOM 0 H ASN 1 43 1.870 1.815 1.511 1.00 0.00 H new ATOM 0 HA ASN 1 43 1.251 -0.119 3.649 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.014 2.098 4.405 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 0.809 2.888 3.408 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -1.863 2.498 5.683 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -1.339 3.007 4.075 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.795 1.196 1.455 1.00 0.00 N ATOM 573 CA TYR 1 44 -2.135 1.082 0.887 1.00 0.00 C ATOM 574 C TYR 1 44 -2.074 0.751 -0.600 1.00 0.00 C ATOM 575 O TYR 1 44 -1.198 1.229 -1.317 1.00 0.00 O ATOM 576 CB TYR 1 44 -2.923 2.380 1.106 1.00 0.00 C ATOM 577 CG TYR 1 44 -2.716 3.410 0.017 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -3.253 3.224 -1.251 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -1.972 4.557 0.253 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -3.054 4.149 -2.251 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -1.770 5.490 -0.742 1.00 0.00 C ATOM 582 CZ TYR 1 44 -2.311 5.282 -1.994 1.00 0.00 C ATOM 583 OH TYR 1 44 -2.110 6.210 -2.990 1.00 0.00 O ATOM 0 H TYR 1 44 -0.158 1.790 0.924 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.647 0.267 1.398 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -3.985 2.143 1.172 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -2.633 2.813 2.063 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -3.837 2.339 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -1.545 4.722 1.231 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -3.477 3.988 -3.231 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -1.191 6.379 -0.542 1.00 0.00 H new ATOM 0 HH TYR 1 44 -1.859 7.069 -2.591 1.00 0.00 H new ATOM 593 N GLY 1 45 -3.023 -0.050 -1.058 1.00 0.00 N ATOM 594 CA GLY 1 45 -3.069 -0.424 -2.455 1.00 0.00 C ATOM 595 C GLY 1 45 -3.491 -1.865 -2.646 1.00 0.00 C ATOM 596 O GLY 1 45 -3.654 -2.606 -1.676 1.00 0.00 O ATOM 0 H GLY 1 45 -3.766 -0.449 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -3.764 0.230 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -2.087 -0.272 -2.903 1.00 0.00 H new ATOM 600 N GLU 1 46 -3.668 -2.264 -3.898 1.00 0.00 N ATOM 601 CA GLU 1 46 -4.076 -3.627 -4.214 1.00 0.00 C ATOM 602 C GLU 1 46 -3.071 -4.640 -3.682 1.00 0.00 C ATOM 603 O GLU 1 46 -3.429 -5.770 -3.348 1.00 0.00 O ATOM 604 CB GLU 1 46 -4.217 -3.796 -5.725 1.00 0.00 C ATOM 605 CG GLU 1 46 -5.564 -3.348 -6.266 1.00 0.00 C ATOM 606 CD GLU 1 46 -5.483 -2.853 -7.696 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -4.517 -3.220 -8.398 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -6.386 -2.098 -8.115 1.00 0.00 O ATOM 0 H GLU 1 46 -3.536 -1.664 -4.712 1.00 0.00 H new ATOM 0 HA GLU 1 46 -5.038 -3.808 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -3.429 -3.228 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.063 -4.844 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -6.267 -4.179 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.960 -2.554 -5.633 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.808 -4.235 -3.623 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.745 -5.113 -3.152 1.00 0.00 C ATOM 617 C CYS 1 47 -0.029 -4.528 -1.940 1.00 0.00 C ATOM 618 O CYS 1 47 1.185 -4.656 -1.817 1.00 0.00 O ATOM 619 CB CYS 1 47 0.265 -5.340 -4.276 1.00 0.00 C ATOM 620 SG CYS 1 47 -0.035 -6.836 -5.256 1.00 0.00 S ATOM 0 H CYS 1 47 -1.495 -3.303 -3.896 1.00 0.00 H new ATOM 0 HA CYS 1 47 -1.198 -6.059 -2.854 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 0.252 -4.476 -4.940 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.265 -5.396 -3.845 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.769 -3.881 -1.049 1.00 0.00 N ATOM 626 CA CYS 1 48 -0.160 -3.282 0.132 1.00 0.00 C ATOM 627 C CYS 1 48 -0.865 -3.723 1.408 1.00 0.00 C ATOM 628 O CYS 1 48 -2.082 -3.597 1.537 1.00 0.00 O ATOM 629 CB CYS 1 48 -0.176 -1.760 0.014 1.00 0.00 C ATOM 630 SG CYS 1 48 0.296 -1.150 -1.637 1.00 0.00 S ATOM 0 H CYS 1 48 -1.779 -3.758 -1.119 1.00 0.00 H new ATOM 0 HA CYS 1 48 0.873 -3.626 0.190 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -1.175 -1.396 0.255 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 0.504 -1.339 0.755 1.00 0.00 H new ATOM 635 N ASP 1 49 -0.083 -4.240 2.349 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.617 -4.702 3.622 1.00 0.00 C ATOM 637 C ASP 1 49 0.440 -4.614 4.717 1.00 0.00 C ATOM 638 O ASP 1 49 1.492 -5.249 4.634 1.00 0.00 O ATOM 639 CB ASP 1 49 -1.119 -6.142 3.495 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.358 -6.398 4.330 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.525 -5.723 5.368 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -3.162 -7.273 3.947 1.00 0.00 O ATOM 0 H ASP 1 49 0.926 -4.349 2.252 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.452 -4.057 3.895 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.338 -6.356 2.449 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.329 -6.828 3.802 1.00 0.00 H new ATOM 647 N GLN 1 50 0.151 -3.822 5.743 1.00 0.00 N ATOM 648 CA GLN 1 50 1.072 -3.648 6.863 1.00 0.00 C ATOM 649 C GLN 1 50 2.374 -2.991 6.413 1.00 0.00 C ATOM 650 O GLN 1 50 3.457 -3.356 6.871 1.00 0.00 O ATOM 651 CB GLN 1 50 1.370 -4.998 7.521 1.00 0.00 C ATOM 652 CG GLN 1 50 1.662 -4.898 9.009 1.00 0.00 C ATOM 653 CD GLN 1 50 1.781 -6.256 9.672 1.00 0.00 C ATOM 654 OE1 GLN 1 50 2.303 -7.203 9.084 1.00 0.00 O ATOM 655 NE2 GLN 1 50 1.294 -6.358 10.904 1.00 0.00 N ATOM 0 H GLN 1 50 -0.715 -3.289 5.824 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.592 -2.992 7.590 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.519 -5.662 7.370 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.224 -5.456 7.022 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 2.588 -4.343 9.157 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 0.869 -4.329 9.494 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 0.870 -5.547 11.353 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 1.345 -7.248 11.400 1.00 0.00 H new ATOM 664 N CYS 1 51 2.261 -2.014 5.519 1.00 0.00 N ATOM 665 CA CYS 1 51 3.429 -1.297 5.013 1.00 0.00 C ATOM 666 C CYS 1 51 4.343 -2.221 4.207 1.00 0.00 C ATOM 667 O CYS 1 51 5.524 -1.928 4.019 1.00 0.00 O ATOM 668 CB CYS 1 51 4.216 -0.665 6.169 1.00 0.00 C ATOM 669 SG CYS 1 51 3.193 -0.157 7.593 1.00 0.00 S ATOM 0 H CYS 1 51 1.373 -1.700 5.129 1.00 0.00 H new ATOM 0 HA CYS 1 51 3.070 -0.508 4.352 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 4.967 -1.377 6.513 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 4.752 0.207 5.793 1.00 0.00 H new ATOM 674 N ARG 1 52 3.792 -3.334 3.729 1.00 0.00 N ATOM 675 CA ARG 1 52 4.563 -4.291 2.940 1.00 0.00 C ATOM 676 C ARG 1 52 3.729 -4.834 1.784 1.00 0.00 C ATOM 677 O ARG 1 52 2.500 -4.849 1.852 1.00 0.00 O ATOM 678 CB ARG 1 52 5.043 -5.444 3.824 1.00 0.00 C ATOM 679 CG ARG 1 52 5.833 -4.989 5.041 1.00 0.00 C ATOM 680 CD ARG 1 52 7.257 -4.610 4.671 1.00 0.00 C ATOM 681 NE ARG 1 52 7.964 -5.708 4.017 1.00 0.00 N ATOM 682 CZ ARG 1 52 8.378 -6.805 4.648 1.00 0.00 C ATOM 683 NH1 ARG 1 52 8.158 -6.952 5.949 1.00 0.00 N ATOM 684 NH2 ARG 1 52 9.013 -7.756 3.978 1.00 0.00 N ATOM 0 H ARG 1 52 2.817 -3.595 3.874 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.430 -3.773 2.530 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.179 -6.020 4.156 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.663 -6.114 3.228 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 5.336 -4.135 5.500 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 5.849 -5.786 5.784 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.241 -3.744 4.009 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.799 -4.315 5.570 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.152 -5.630 3.017 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.670 -6.223 6.469 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 8.477 -7.794 6.428 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 9.185 -7.648 2.978 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 9.330 -8.596 4.462 1.00 0.00 H new ATOM 698 N PHE 1 53 4.397 -5.277 0.722 1.00 0.00 N ATOM 699 CA PHE 1 53 3.696 -5.814 -0.439 1.00 0.00 C ATOM 700 C PHE 1 53 3.096 -7.174 -0.132 1.00 0.00 C ATOM 701 O PHE 1 53 3.723 -8.011 0.518 1.00 0.00 O ATOM 702 CB PHE 1 53 4.630 -5.927 -1.650 1.00 0.00 C ATOM 703 CG PHE 1 53 4.936 -4.612 -2.305 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.002 -3.591 -2.305 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.155 -4.398 -2.927 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.273 -2.385 -2.907 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.434 -3.189 -3.535 1.00 0.00 C ATOM 708 CZ PHE 1 53 5.490 -2.180 -3.525 1.00 0.00 C ATOM 0 H PHE 1 53 5.414 -5.275 0.642 1.00 0.00 H new ATOM 0 HA PHE 1 53 2.893 -5.118 -0.680 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.564 -6.391 -1.334 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.177 -6.592 -2.386 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.047 -3.744 -1.825 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 6.895 -5.184 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 3.534 -1.598 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.388 -3.033 -4.017 1.00 0.00 H new ATOM 0 HZ PHE 1 53 5.704 -1.234 -3.999 1.00 0.00 H new ATOM 718 N LYS 1 54 1.880 -7.394 -0.615 1.00 0.00 N ATOM 719 CA LYS 1 54 1.203 -8.663 -0.400 1.00 0.00 C ATOM 720 C LYS 1 54 1.998 -9.795 -1.039 1.00 0.00 C ATOM 721 O LYS 1 54 2.163 -9.835 -2.256 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.211 -8.620 -0.983 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.230 -7.970 -0.061 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.438 -7.465 -0.833 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.724 -7.662 -0.047 1.00 0.00 C ATOM 726 NZ LYS 1 54 -4.921 -7.240 -0.825 1.00 0.00 N ATOM 0 H LYS 1 54 1.346 -6.713 -1.155 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.132 -8.842 0.673 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.189 -8.076 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.533 -9.637 -1.208 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.553 -8.690 0.691 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.764 -7.140 0.471 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.309 -6.407 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -2.508 -7.991 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.823 -8.712 0.230 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -3.674 -7.091 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -5.490 -6.580 -0.257 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.617 -6.769 -1.701 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -5.494 -8.075 -1.061 1.00 0.00 H new ATOM 740 N LYS 1 55 2.498 -10.710 -0.214 1.00 0.00 N ATOM 741 CA LYS 1 55 3.283 -11.838 -0.707 1.00 0.00 C ATOM 742 C LYS 1 55 2.672 -12.416 -1.979 1.00 0.00 C ATOM 743 O LYS 1 55 1.492 -12.780 -2.003 1.00 0.00 O ATOM 744 CB LYS 1 55 3.383 -12.925 0.365 1.00 0.00 C ATOM 745 CG LYS 1 55 4.225 -14.118 -0.055 1.00 0.00 C ATOM 746 CD LYS 1 55 5.711 -13.823 0.070 1.00 0.00 C ATOM 747 CE LYS 1 55 6.534 -14.705 -0.855 1.00 0.00 C ATOM 748 NZ LYS 1 55 6.801 -16.041 -0.256 1.00 0.00 N ATOM 0 H LYS 1 55 2.374 -10.693 0.798 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.284 -11.475 -0.941 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.808 -12.492 1.271 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.380 -13.269 0.616 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.971 -14.979 0.563 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 3.991 -14.385 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.896 -12.775 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 6.029 -13.979 1.101 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 6.007 -14.830 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 7.480 -14.212 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 7.365 -16.612 -0.918 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 7.326 -15.924 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 5.899 -16.522 -0.065 1.00 0.00 H new ATOM 762 N ALA 1 56 3.478 -12.488 -3.039 1.00 0.00 N ATOM 763 CA ALA 1 56 3.012 -13.016 -4.316 1.00 0.00 C ATOM 764 C ALA 1 56 2.094 -14.207 -4.099 1.00 0.00 C ATOM 765 O ALA 1 56 2.433 -15.142 -3.374 1.00 0.00 O ATOM 766 CB ALA 1 56 4.181 -13.416 -5.195 1.00 0.00 C ATOM 0 H ALA 1 56 4.453 -12.188 -3.036 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.453 -12.228 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.808 -13.807 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.809 -12.545 -5.384 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.768 -14.184 -4.692 1.00 0.00 H new ATOM 772 N GLY 1 57 0.923 -14.154 -4.705 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.037 -15.224 -4.536 1.00 0.00 C ATOM 774 C GLY 1 57 -1.292 -14.735 -3.847 1.00 0.00 C ATOM 775 O GLY 1 57 -2.300 -15.440 -3.798 1.00 0.00 O ATOM 0 H GLY 1 57 0.618 -13.392 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.294 -15.642 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 0.411 -16.028 -3.952 1.00 0.00 H new ATOM 779 N THR 1 58 -1.234 -13.510 -3.326 1.00 0.00 N ATOM 780 CA THR 1 58 -2.376 -12.909 -2.657 1.00 0.00 C ATOM 781 C THR 1 58 -3.359 -12.367 -3.693 1.00 0.00 C ATOM 782 O THR 1 58 -3.106 -11.336 -4.315 1.00 0.00 O ATOM 783 CB THR 1 58 -1.910 -11.777 -1.739 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.069 -12.275 -0.714 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.047 -11.033 -1.078 1.00 0.00 C ATOM 0 H THR 1 58 -0.404 -12.917 -3.357 1.00 0.00 H new ATOM 0 HA THR 1 58 -2.875 -13.669 -2.056 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.374 -11.084 -2.388 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.187 -12.484 -1.087 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.645 -10.245 -0.442 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.686 -10.592 -1.843 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.631 -11.725 -0.472 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.475 -13.065 -3.880 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.476 -12.637 -4.850 1.00 0.00 C ATOM 795 C VAL 1 59 -6.050 -11.275 -4.475 1.00 0.00 C ATOM 796 O VAL 1 59 -6.690 -11.127 -3.434 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.637 -13.649 -4.971 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.354 -13.805 -3.639 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.609 -13.223 -6.065 1.00 0.00 C ATOM 0 H VAL 1 59 -4.707 -13.922 -3.378 1.00 0.00 H new ATOM 0 HA VAL 1 59 -4.966 -12.573 -5.811 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.220 -14.618 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.168 -14.522 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -6.651 -14.164 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.758 -12.841 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.419 -13.949 -6.134 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.020 -12.242 -5.825 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.084 -13.173 -7.019 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.825 -10.283 -5.329 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.332 -8.937 -5.077 1.00 0.00 C ATOM 811 C CYS 1 60 -7.542 -8.635 -5.956 1.00 0.00 C ATOM 812 O CYS 1 60 -8.364 -7.782 -5.624 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.248 -7.889 -5.330 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.585 -8.381 -4.783 1.00 0.00 S ATOM 0 H CYS 1 60 -5.298 -10.383 -6.197 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.633 -8.893 -4.030 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.216 -7.668 -6.397 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.526 -6.966 -4.821 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.636 -9.331 -7.085 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.737 -9.125 -8.020 1.00 0.00 C ATOM 821 C ARG 1 61 -9.025 -10.385 -8.830 1.00 0.00 C ATOM 822 O ARG 1 61 -8.394 -11.425 -8.638 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.421 -7.967 -8.972 1.00 0.00 C ATOM 824 CG ARG 1 61 -7.714 -6.799 -8.304 1.00 0.00 C ATOM 825 CD ARG 1 61 -7.576 -5.612 -9.246 1.00 0.00 C ATOM 826 NE ARG 1 61 -6.627 -5.872 -10.327 1.00 0.00 N ATOM 827 CZ ARG 1 61 -5.905 -4.927 -10.928 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -6.023 -3.655 -10.564 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.066 -5.254 -11.901 1.00 0.00 N ATOM 0 H ARG 1 61 -6.964 -10.042 -7.374 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.623 -8.882 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.799 -8.338 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -9.350 -7.611 -9.417 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -8.270 -6.497 -7.416 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -6.726 -7.115 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -8.551 -5.372 -9.671 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -7.250 -4.738 -8.681 1.00 0.00 H new ATOM 0 HE ARG 1 61 -6.510 -6.836 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -6.670 -3.396 -9.819 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -5.467 -2.938 -11.029 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.974 -6.228 -12.189 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.513 -4.531 -12.362 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.979 -10.271 -9.742 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.365 -11.376 -10.607 1.00 0.00 C ATOM 845 C ILE 1 62 -11.404 -10.907 -11.612 1.00 0.00 C ATOM 846 O ILE 1 62 -12.358 -10.214 -11.259 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.925 -12.571 -9.809 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.479 -13.648 -10.750 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.006 -12.102 -8.854 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.453 -14.207 -11.711 1.00 0.00 C ATOM 0 H ILE 1 62 -10.506 -9.413 -9.903 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.467 -11.713 -11.125 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.109 -13.009 -9.234 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -11.886 -14.464 -10.153 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.307 -13.227 -11.321 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.394 -12.955 -8.296 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.587 -11.374 -8.159 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.815 -11.640 -9.419 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -10.920 -14.962 -12.343 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.063 -13.403 -12.335 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.636 -14.659 -11.149 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.207 -11.279 -12.864 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.123 -10.884 -13.924 1.00 0.00 C ATOM 864 C ALA 1 63 -13.560 -11.310 -13.599 1.00 0.00 C ATOM 865 O ALA 1 63 -14.259 -10.613 -12.864 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.652 -11.429 -15.266 1.00 0.00 C ATOM 0 H ALA 1 63 -10.423 -11.853 -13.173 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.125 -9.796 -13.995 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.348 -11.124 -16.047 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.660 -11.036 -15.490 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.610 -12.517 -15.222 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.002 -12.449 -14.130 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.356 -12.930 -13.861 1.00 0.00 C ATOM 874 C ARG 1 64 -15.386 -14.448 -13.715 1.00 0.00 C ATOM 875 O ARG 1 64 -15.656 -15.165 -14.676 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.304 -12.496 -14.980 1.00 0.00 C ATOM 877 CG ARG 1 64 -16.397 -10.988 -15.148 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.232 -10.356 -14.046 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.661 -10.409 -14.343 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.237 -9.742 -15.341 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -18.509 -8.970 -16.139 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.543 -9.846 -15.541 1.00 0.00 N ATOM 0 H ARG 1 64 -13.450 -13.050 -14.742 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.685 -12.491 -12.919 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.971 -12.938 -15.919 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.299 -12.893 -14.776 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -15.396 -10.557 -15.140 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -16.836 -10.755 -16.118 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -17.038 -10.870 -13.104 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -16.928 -9.318 -13.911 1.00 0.00 H new ATOM 0 HE ARG 1 64 -19.253 -10.992 -13.751 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -17.504 -8.886 -15.989 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -18.955 -8.461 -16.902 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -21.107 -10.437 -14.930 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -20.984 -9.335 -16.306 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.122 -14.936 -12.511 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.133 -16.367 -12.281 1.00 0.00 C ATOM 898 C GLY 1 65 -13.840 -16.858 -11.670 1.00 0.00 C ATOM 899 O GLY 1 65 -13.591 -16.661 -10.481 1.00 0.00 O ATOM 0 H GLY 1 65 -14.901 -14.369 -11.692 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -15.963 -16.621 -11.622 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.306 -16.884 -13.225 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.010 -17.492 -12.490 1.00 0.00 N ATOM 904 CA ASP 1 66 -11.728 -18.007 -12.027 1.00 0.00 C ATOM 905 C ASP 1 66 -10.979 -18.723 -13.146 1.00 0.00 C ATOM 906 O ASP 1 66 -11.144 -19.925 -13.353 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.924 -18.953 -10.839 1.00 0.00 C ATOM 908 CG ASP 1 66 -10.891 -18.736 -9.751 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -9.824 -19.382 -9.807 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.150 -17.920 -8.842 1.00 0.00 O ATOM 0 H ASP 1 66 -13.202 -17.661 -13.477 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.128 -17.155 -11.707 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.921 -18.808 -10.423 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.870 -19.985 -11.187 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.149 -17.970 -13.856 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.353 -18.512 -14.953 1.00 0.00 C ATOM 917 C TRP 1 67 -7.874 -18.311 -14.671 1.00 0.00 C ATOM 918 O TRP 1 67 -7.131 -19.260 -14.422 1.00 0.00 O ATOM 919 CB TRP 1 67 -9.719 -17.824 -16.275 1.00 0.00 C ATOM 920 CG TRP 1 67 -10.685 -16.690 -16.119 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.458 -15.480 -15.522 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.039 -16.666 -16.569 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.594 -14.716 -15.570 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.575 -15.419 -16.211 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -12.848 -17.581 -17.241 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -13.884 -15.063 -16.501 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.152 -17.228 -17.532 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.659 -15.976 -17.162 1.00 0.00 C ATOM 0 H TRP 1 67 -10.008 -16.973 -13.691 1.00 0.00 H new ATOM 0 HA TRP 1 67 -9.566 -19.578 -15.038 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -8.808 -17.451 -16.744 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.147 -18.563 -16.952 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.522 -15.173 -15.079 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.692 -13.775 -15.189 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -12.463 -18.548 -17.529 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.277 -14.099 -16.215 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -14.789 -17.928 -18.052 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.682 -15.727 -17.403 1.00 0.00 H new ATOM 939 N ASN 1 68 -7.470 -17.052 -14.706 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.091 -16.666 -14.451 1.00 0.00 C ATOM 941 C ASN 1 68 -5.975 -16.058 -13.060 1.00 0.00 C ATOM 942 O ASN 1 68 -4.952 -16.197 -12.389 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.621 -15.660 -15.505 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.242 -15.910 -16.868 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.507 -15.529 -17.024 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -5.593 -16.439 -17.771 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.089 -16.268 -14.912 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.458 -17.552 -14.507 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -5.870 -14.651 -15.176 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.535 -15.709 -15.590 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -4.625 -16.716 -17.608 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.024 -16.600 -18.682 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.045 -15.392 -12.633 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.091 -14.766 -11.319 1.00 0.00 C ATOM 955 C ASP 1 69 -6.029 -13.687 -11.177 1.00 0.00 C ATOM 956 O ASP 1 69 -4.930 -13.803 -11.720 1.00 0.00 O ATOM 957 CB ASP 1 69 -6.899 -15.814 -10.226 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.186 -16.538 -9.883 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.738 -17.221 -10.771 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.643 -16.421 -8.727 1.00 0.00 O ATOM 0 H ASP 1 69 -7.895 -15.273 -13.183 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.071 -14.300 -11.213 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.153 -16.540 -10.550 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.507 -15.332 -9.330 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.360 -12.644 -10.426 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.431 -11.551 -10.191 1.00 0.00 C ATOM 967 C ASP 1 70 -4.627 -11.824 -8.932 1.00 0.00 C ATOM 968 O ASP 1 70 -5.196 -12.033 -7.862 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.181 -10.227 -10.060 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.259 -9.031 -10.158 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.253 -9.000 -9.421 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.542 -8.127 -10.972 1.00 0.00 O ATOM 0 H ASP 1 70 -7.266 -12.534 -9.970 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.753 -11.478 -11.041 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.939 -10.163 -10.840 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.704 -10.202 -9.104 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.306 -11.853 -9.063 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.458 -12.144 -7.919 1.00 0.00 C ATOM 979 C TYR 1 71 -1.293 -11.191 -7.772 1.00 0.00 C ATOM 980 O TYR 1 71 -0.736 -10.697 -8.751 1.00 0.00 O ATOM 981 CB TYR 1 71 -1.929 -13.561 -8.026 1.00 0.00 C ATOM 982 CG TYR 1 71 -2.937 -14.576 -7.588 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.205 -14.751 -6.248 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -3.631 -15.338 -8.510 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.135 -15.668 -5.821 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -4.569 -16.259 -8.101 1.00 0.00 C ATOM 987 CZ TYR 1 71 -4.819 -16.425 -6.752 1.00 0.00 C ATOM 988 OH TYR 1 71 -5.755 -17.344 -6.335 1.00 0.00 O ATOM 0 H TYR 1 71 -2.807 -11.681 -9.936 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.082 -12.023 -7.033 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.639 -13.762 -9.057 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.030 -13.658 -7.417 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -2.674 -14.156 -5.519 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.435 -15.209 -9.564 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.329 -15.796 -4.766 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.106 -16.848 -8.830 1.00 0.00 H new ATOM 0 HH TYR 1 71 -6.145 -17.791 -7.115 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.924 -10.959 -6.519 1.00 0.00 N ATOM 999 CA CYS 1 72 0.186 -10.087 -6.196 1.00 0.00 C ATOM 1000 C CYS 1 72 1.504 -10.726 -6.603 1.00 0.00 C ATOM 1001 O CYS 1 72 1.572 -11.932 -6.845 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.202 -9.788 -4.700 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.050 -8.239 -4.280 1.00 0.00 S ATOM 0 H CYS 1 72 -1.385 -11.369 -5.707 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.061 -9.155 -6.748 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.824 -9.741 -4.336 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.688 -10.612 -4.178 1.00 0.00 H new ATOM 1008 N THR 1 73 2.548 -9.914 -6.674 1.00 0.00 N ATOM 1009 CA THR 1 73 3.867 -10.402 -7.049 1.00 0.00 C ATOM 1010 C THR 1 73 4.903 -10.063 -5.977 1.00 0.00 C ATOM 1011 O THR 1 73 6.086 -10.368 -6.128 1.00 0.00 O ATOM 1012 CB THR 1 73 4.286 -9.806 -8.395 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.858 -8.522 -8.220 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.136 -9.667 -9.371 1.00 0.00 C ATOM 0 H THR 1 73 2.508 -8.914 -6.477 1.00 0.00 H new ATOM 0 HA THR 1 73 3.815 -11.487 -7.140 1.00 0.00 H new ATOM 0 HB THR 1 73 5.011 -10.507 -8.808 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.121 -8.159 -9.092 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.501 -9.239 -10.305 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.704 -10.648 -9.566 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.374 -9.014 -8.945 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.453 -9.430 -4.893 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.355 -9.063 -3.818 1.00 0.00 C ATOM 1024 C GLY 1 74 6.482 -8.163 -4.285 1.00 0.00 C ATOM 1025 O GLY 1 74 7.549 -8.127 -3.672 1.00 0.00 O ATOM 0 H GLY 1 74 3.479 -9.166 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.792 -8.557 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.776 -9.967 -3.377 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.249 -7.436 -5.374 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.260 -6.536 -5.919 1.00 0.00 C ATOM 1031 C LYS 1 75 6.662 -5.183 -6.302 1.00 0.00 C ATOM 1032 O LYS 1 75 7.325 -4.368 -6.944 1.00 0.00 O ATOM 1033 CB LYS 1 75 7.927 -7.168 -7.143 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.477 -8.563 -6.890 1.00 0.00 C ATOM 1035 CD LYS 1 75 7.983 -9.556 -7.930 1.00 0.00 C ATOM 1036 CE LYS 1 75 8.888 -9.580 -9.151 1.00 0.00 C ATOM 1037 NZ LYS 1 75 8.114 -9.731 -10.414 1.00 0.00 N ATOM 0 H LYS 1 75 5.372 -7.452 -5.895 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.005 -6.370 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.203 -7.215 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 8.739 -6.522 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.567 -8.533 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.179 -8.898 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 7.937 -10.552 -7.490 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 6.969 -9.294 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 9.470 -8.659 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.598 -10.402 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 8.768 -9.743 -11.223 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 7.579 -10.622 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 7.454 -8.933 -10.514 1.00 0.00 H new ATOM 1051 N SER 1 76 5.411 -4.941 -5.913 1.00 0.00 N ATOM 1052 CA SER 1 76 4.754 -3.677 -6.235 1.00 0.00 C ATOM 1053 C SER 1 76 3.412 -3.545 -5.519 1.00 0.00 C ATOM 1054 O SER 1 76 2.911 -4.502 -4.931 1.00 0.00 O ATOM 1055 CB SER 1 76 4.551 -3.560 -7.747 1.00 0.00 C ATOM 1056 OG SER 1 76 4.566 -4.835 -8.364 1.00 0.00 O ATOM 0 H SER 1 76 4.838 -5.596 -5.380 1.00 0.00 H new ATOM 0 HA SER 1 76 5.400 -2.869 -5.891 1.00 0.00 H new ATOM 0 HB2 SER 1 76 3.602 -3.064 -7.952 1.00 0.00 H new ATOM 0 HB3 SER 1 76 5.336 -2.936 -8.175 1.00 0.00 H new ATOM 0 HG SER 1 76 4.433 -4.733 -9.330 1.00 0.00 H new ATOM 1062 N SER 1 77 2.835 -2.346 -5.584 1.00 0.00 N ATOM 1063 CA SER 1 77 1.545 -2.068 -4.955 1.00 0.00 C ATOM 1064 C SER 1 77 0.392 -2.363 -5.911 1.00 0.00 C ATOM 1065 O SER 1 77 -0.756 -2.009 -5.638 1.00 0.00 O ATOM 1066 CB SER 1 77 1.480 -0.608 -4.501 1.00 0.00 C ATOM 1067 OG SER 1 77 1.847 0.270 -5.551 1.00 0.00 O ATOM 0 H SER 1 77 3.244 -1.547 -6.069 1.00 0.00 H new ATOM 0 HA SER 1 77 1.448 -2.720 -4.087 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.471 -0.374 -4.163 1.00 0.00 H new ATOM 0 HB3 SER 1 77 2.144 -0.459 -3.649 1.00 0.00 H new ATOM 0 HG SER 1 77 1.761 -0.193 -6.410 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.701 -3.015 -7.028 1.00 0.00 N ATOM 1074 CA ASP 1 78 -0.315 -3.354 -8.016 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.473 -4.866 -8.142 1.00 0.00 C ATOM 1076 O ASP 1 78 0.494 -5.616 -8.009 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.046 -2.752 -9.376 1.00 0.00 C ATOM 1078 CG ASP 1 78 0.380 -1.276 -9.285 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.296 -0.922 -8.513 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 -0.275 -0.475 -9.984 1.00 0.00 O ATOM 0 H ASP 1 78 1.644 -3.318 -7.270 1.00 0.00 H new ATOM 0 HA ASP 1 78 -1.264 -2.936 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 0.898 -3.289 -9.793 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 -0.787 -2.891 -10.065 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.701 -5.302 -8.394 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.001 -6.722 -8.535 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.518 -7.034 -9.942 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.651 -6.692 -10.281 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.041 -7.132 -7.493 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.576 -8.601 -6.527 1.00 0.00 S ATOM 0 H CYS 1 79 -2.509 -4.690 -8.505 1.00 0.00 H new ATOM 0 HA CYS 1 79 -1.083 -7.289 -8.376 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.206 -6.298 -6.811 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.989 -7.325 -7.996 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.695 -7.687 -10.785 1.00 0.00 N ATOM 1096 CA PRO 1 80 -2.083 -8.039 -12.159 1.00 0.00 C ATOM 1097 C PRO 1 80 -3.137 -9.144 -12.209 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.083 -10.102 -11.438 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.773 -8.525 -12.781 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.030 -9.019 -11.630 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.323 -8.130 -10.470 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.536 -7.195 -12.680 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.950 -9.316 -13.509 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 -0.260 -7.718 -13.305 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.203 -10.061 -11.409 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.097 -8.971 -11.849 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.282 -8.669 -9.523 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.363 -7.287 -10.387 1.00 0.00 H new ATOM 1109 N TRP 1 81 -4.095 -9.003 -13.125 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.167 -9.993 -13.282 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.628 -11.319 -13.796 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.297 -12.348 -13.707 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.251 -9.512 -14.257 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.232 -8.046 -14.551 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.505 -7.403 -15.511 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -6.991 -7.044 -13.883 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.768 -6.056 -15.474 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -6.680 -5.812 -14.481 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -7.905 -7.076 -12.834 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -7.256 -4.619 -14.063 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -8.480 -5.892 -12.416 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -8.154 -4.676 -13.030 1.00 0.00 C ATOM 0 H TRP 1 81 -4.153 -8.215 -13.770 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.601 -10.126 -12.291 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -6.142 -10.057 -15.195 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -7.227 -9.773 -13.848 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.824 -7.883 -16.198 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.353 -5.353 -16.085 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.160 -8.010 -12.355 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.005 -3.681 -14.535 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -9.192 -5.904 -11.604 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -8.620 -3.766 -12.682 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.435 -11.278 -14.367 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.816 -12.469 -14.940 1.00 0.00 C ATOM 1135 C ASN 1 82 -3.466 -12.790 -16.283 1.00 0.00 C ATOM 1136 O ASN 1 82 -3.470 -13.938 -16.728 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.954 -13.664 -13.992 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.939 -14.753 -14.281 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.619 -15.028 -15.437 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.427 -15.379 -13.227 1.00 0.00 N ATOM 0 H ASN 1 82 -2.872 -10.431 -14.448 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.754 -12.272 -15.089 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.834 -13.324 -12.963 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.959 -14.077 -14.076 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.739 -16.121 -13.359 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.722 -15.118 -12.286 1.00 0.00 H new ATOM 1147 N HIS 1 83 -4.025 -11.759 -16.916 1.00 0.00 N ATOM 1148 CA HIS 1 83 -4.695 -11.910 -18.201 1.00 0.00 C ATOM 1149 C HIS 1 83 -3.774 -11.508 -19.350 1.00 0.00 C ATOM 1150 O HIS 1 83 -2.659 -11.021 -19.070 1.00 0.00 O ATOM 1151 CB HIS 1 83 -5.967 -11.059 -18.223 1.00 0.00 C ATOM 1152 CG HIS 1 83 -6.923 -11.408 -17.127 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -7.089 -12.560 -16.437 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -7.839 -10.518 -16.608 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -8.089 -12.347 -15.522 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -8.524 -11.108 -15.644 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -4.177 -11.685 -20.519 1.00 0.00 O ATOM 0 H HIS 1 83 -4.025 -10.805 -16.554 1.00 0.00 H new ATOM 0 HA HIS 1 83 -4.959 -12.959 -18.332 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -5.695 -10.007 -18.139 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -6.464 -11.184 -19.185 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -6.567 -13.426 -16.572 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.975 -9.499 -16.937 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.460 -13.076 -14.816 1.00 0.00 H new