USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=17 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= -0.952 F(o=-11,f=-9.1) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -8.17! C(o=-12!,f=-9.1!) USER MOD Set 2.1: 1 30 ASN :FLIP amide:sc= -1.19 F(o=-5.7,f=-4.7) USER MOD Set 2.2: 1 33 THR OG1 : rot -150:sc= -3.54! USER MOD Set 3.1: 1 20 SER OG : rot 6:sc= 0.848 USER MOD Set 3.2: 1 23 ASN :FLIP amide:sc= -0.0429 F(o=0.012,f=0.81) USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 153:sc= -0.0898 (180deg=-0.541) USER MOD Single : 1 12 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.55) USER MOD Single : 1 25 GLN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 90:sc= -3.2! USER MOD Single : 1 40 SER OG : rot -109:sc= -4.16! USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -3.47! C(o=-3.5!,f=-5.6!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.5!) USER MOD Single : 1 54 LYS NZ :NH3+ -175:sc= -0.119 (180deg=-0.274) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 74:sc= 1.06 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot -159:sc= -2.85 USER MOD Single : 1 75 LYS NZ :NH3+ -165:sc= -0.0143 (180deg=-0.192) USER MOD Single : 1 76 SER OG : rot -47:sc= 0.445 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.692 16.439 12.873 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.424 15.751 11.656 1.00 0.00 C ATOM 44 C VAL 1 4 -0.141 16.338 11.049 1.00 0.00 C ATOM 45 O VAL 1 4 -0.171 17.339 10.337 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.649 15.873 10.727 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.743 17.250 10.092 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.651 14.777 9.687 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.258 14.686 11.817 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.541 15.749 11.342 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.619 17.293 9.445 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.830 18.006 10.873 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -1.847 17.440 9.502 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.525 14.886 9.045 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -1.746 14.847 9.083 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.683 13.806 10.182 1.00 0.00 H new ATOM 58 N CYS 1 5 1.003 15.741 11.390 1.00 0.00 N ATOM 59 CA CYS 1 5 2.295 16.258 10.916 1.00 0.00 C ATOM 60 C CYS 1 5 2.418 16.085 9.409 1.00 0.00 C ATOM 61 O CYS 1 5 2.752 15.011 8.913 1.00 0.00 O ATOM 62 CB CYS 1 5 3.503 15.588 11.620 1.00 0.00 C ATOM 63 SG CYS 1 5 3.104 14.321 12.879 1.00 0.00 S ATOM 0 H CYS 1 5 1.065 14.913 11.982 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.317 17.318 11.168 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 4.131 15.127 10.858 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.098 16.368 12.095 1.00 0.00 H new ATOM 68 N GLY 1 6 2.121 17.163 8.690 1.00 0.00 N ATOM 69 CA GLY 1 6 2.171 17.139 7.241 1.00 0.00 C ATOM 70 C GLY 1 6 0.783 17.033 6.638 1.00 0.00 C ATOM 71 O GLY 1 6 0.628 16.655 5.477 1.00 0.00 O ATOM 0 H GLY 1 6 1.844 18.060 9.090 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.658 18.044 6.878 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.778 16.296 6.911 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.229 17.360 7.442 1.00 0.00 N ATOM 76 CA ASN 1 7 -1.620 17.294 7.008 1.00 0.00 C ATOM 77 C ASN 1 7 -1.995 15.865 6.643 1.00 0.00 C ATOM 78 O ASN 1 7 -1.251 15.182 5.940 1.00 0.00 O ATOM 79 CB ASN 1 7 -1.865 18.216 5.810 1.00 0.00 C ATOM 80 CG ASN 1 7 -2.206 19.632 6.229 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -1.322 20.433 6.533 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -3.496 19.949 6.249 1.00 0.00 N ATOM 0 H ASN 1 7 -0.107 17.675 8.404 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.245 17.627 7.836 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -0.976 18.231 5.179 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -2.678 17.813 5.206 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -3.786 20.887 6.524 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -4.196 19.254 5.989 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.149 15.410 7.121 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.598 14.053 6.836 1.00 0.00 C ATOM 91 C LYS 1 8 -3.532 13.791 5.345 1.00 0.00 C ATOM 92 O LYS 1 8 -4.352 14.303 4.582 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.026 13.822 7.350 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.722 12.609 6.737 1.00 0.00 C ATOM 95 CD LYS 1 8 -4.810 11.385 6.696 1.00 0.00 C ATOM 96 CE LYS 1 8 -5.441 10.196 7.403 1.00 0.00 C ATOM 97 NZ LYS 1 8 -6.791 9.879 6.861 1.00 0.00 N ATOM 0 H LYS 1 8 -3.785 15.956 7.702 1.00 0.00 H new ATOM 0 HA LYS 1 8 -2.937 13.359 7.354 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -4.995 13.701 8.433 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.622 14.711 7.145 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -6.617 12.375 7.314 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.049 12.851 5.726 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -4.598 11.123 5.660 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -3.856 11.625 7.166 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -4.794 9.325 7.297 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -5.519 10.407 8.469 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -6.994 8.869 7.003 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -7.506 10.448 7.356 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -6.817 10.098 5.845 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.548 13.006 4.928 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.397 12.708 3.501 1.00 0.00 C ATOM 113 C ILE 1 9 -3.733 12.325 2.888 1.00 0.00 C ATOM 114 O ILE 1 9 -4.395 11.385 3.329 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.361 11.608 3.205 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.482 10.438 4.180 1.00 0.00 C ATOM 117 CG2 ILE 1 9 0.036 12.197 3.242 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -2.577 9.462 3.814 1.00 0.00 C ATOM 0 H ILE 1 9 -1.855 12.571 5.537 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.024 13.626 3.046 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.558 11.215 2.208 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.531 9.907 4.219 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -1.671 10.827 5.181 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.766 11.415 3.032 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 0.120 12.983 2.491 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 0.228 12.617 4.229 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.607 8.657 4.548 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.537 9.979 3.803 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.378 9.045 2.827 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.133 13.086 1.883 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.402 12.862 1.211 1.00 0.00 C ATOM 132 C LEU 1 10 -5.287 11.813 0.110 1.00 0.00 C ATOM 133 O LEU 1 10 -6.210 11.632 -0.684 1.00 0.00 O ATOM 134 CB LEU 1 10 -5.935 14.186 0.648 1.00 0.00 C ATOM 135 CG LEU 1 10 -4.920 15.057 -0.114 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.184 15.989 0.839 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -3.931 14.206 -0.900 1.00 0.00 C ATOM 0 H LEU 1 10 -3.594 13.869 1.513 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.108 12.476 1.946 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.767 13.964 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.338 14.772 1.474 1.00 0.00 H new ATOM 0 HG LEU 1 10 -5.479 15.662 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -3.472 16.595 0.278 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -4.902 16.641 1.337 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.651 15.400 1.585 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.230 14.855 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.383 13.559 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -4.471 13.595 -1.623 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.153 11.123 0.080 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.897 10.078 -0.913 1.00 0.00 C ATOM 151 C GLU 1 11 -2.433 9.644 -0.879 1.00 0.00 C ATOM 152 O GLU 1 11 -1.784 9.560 -1.923 1.00 0.00 O ATOM 153 CB GLU 1 11 -4.238 10.573 -2.323 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.328 11.693 -2.802 1.00 0.00 C ATOM 155 CD GLU 1 11 -4.025 12.644 -3.757 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -5.269 12.733 -3.703 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -3.325 13.300 -4.557 1.00 0.00 O ATOM 0 H GLU 1 11 -3.387 11.268 0.738 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.532 9.227 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -4.173 9.737 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -5.271 10.921 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -2.962 12.252 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.457 11.262 -3.296 1.00 0.00 H new ATOM 164 N GLN 1 12 -1.902 9.380 0.312 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.505 8.973 0.424 1.00 0.00 C ATOM 166 C GLN 1 12 -0.099 8.628 1.859 1.00 0.00 C ATOM 167 O GLN 1 12 0.668 9.358 2.483 1.00 0.00 O ATOM 168 CB GLN 1 12 0.414 10.078 -0.115 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.143 11.491 0.020 1.00 0.00 C ATOM 170 CD GLN 1 12 -0.034 12.285 -1.268 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -0.190 11.741 -2.361 1.00 0.00 O ATOM 172 NE2 GLN 1 12 0.235 13.579 -1.143 1.00 0.00 N ATOM 0 H GLN 1 12 -2.406 9.439 1.197 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.396 8.067 -0.173 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 1.368 10.026 0.409 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.618 9.881 -1.168 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.189 11.438 0.323 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.392 12.015 0.812 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 0.356 13.987 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 0.320 14.165 -1.974 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.585 7.499 2.368 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.225 7.077 3.716 1.00 0.00 C ATOM 183 C GLY 1 13 1.139 6.402 3.767 1.00 0.00 C ATOM 184 O GLY 1 13 1.305 5.373 4.420 1.00 0.00 O ATOM 0 H GLY 1 13 -1.219 6.870 1.876 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.224 7.944 4.377 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -0.982 6.390 4.093 1.00 0.00 H new ATOM 188 N GLU 1 14 2.107 6.999 3.065 1.00 0.00 N ATOM 189 CA GLU 1 14 3.487 6.497 2.985 1.00 0.00 C ATOM 190 C GLU 1 14 4.113 6.908 1.660 1.00 0.00 C ATOM 191 O GLU 1 14 5.035 6.266 1.164 1.00 0.00 O ATOM 192 CB GLU 1 14 3.551 4.973 3.136 1.00 0.00 C ATOM 193 CG GLU 1 14 3.880 4.517 4.548 1.00 0.00 C ATOM 194 CD GLU 1 14 3.244 3.185 4.895 1.00 0.00 C ATOM 195 OE1 GLU 1 14 2.867 2.446 3.961 1.00 0.00 O ATOM 196 OE2 GLU 1 14 3.122 2.881 6.100 1.00 0.00 O ATOM 0 H GLU 1 14 1.955 7.854 2.530 1.00 0.00 H new ATOM 0 HA GLU 1 14 4.045 6.938 3.811 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.593 4.546 2.839 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 4.302 4.579 2.451 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.962 4.438 4.657 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.542 5.272 5.258 1.00 0.00 H new ATOM 203 N ASP 1 15 3.606 7.991 1.094 1.00 0.00 N ATOM 204 CA ASP 1 15 4.107 8.499 -0.162 1.00 0.00 C ATOM 205 C ASP 1 15 5.015 9.690 0.092 1.00 0.00 C ATOM 206 O ASP 1 15 6.153 9.725 -0.372 1.00 0.00 O ATOM 207 CB ASP 1 15 2.936 8.898 -1.056 1.00 0.00 C ATOM 208 CG ASP 1 15 3.198 8.611 -2.522 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.382 8.501 -2.903 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.219 8.496 -3.289 1.00 0.00 O ATOM 0 H ASP 1 15 2.841 8.536 1.493 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.684 7.724 -0.666 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 2.042 8.361 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.732 9.961 -0.928 1.00 0.00 H new ATOM 215 N CYS 1 16 4.500 10.658 0.850 1.00 0.00 N ATOM 216 CA CYS 1 16 5.254 11.860 1.192 1.00 0.00 C ATOM 217 C CYS 1 16 4.356 12.888 1.865 1.00 0.00 C ATOM 218 O CYS 1 16 3.855 13.802 1.210 1.00 0.00 O ATOM 219 CB CYS 1 16 5.886 12.462 -0.064 1.00 0.00 C ATOM 220 SG CYS 1 16 7.137 13.771 0.226 1.00 0.00 S ATOM 0 H CYS 1 16 3.558 10.631 1.240 1.00 0.00 H new ATOM 0 HA CYS 1 16 6.043 11.581 1.890 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.353 11.659 -0.634 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 5.092 12.875 -0.686 1.00 0.00 H new ATOM 225 N ASP 1 17 4.178 12.742 3.179 1.00 0.00 N ATOM 226 CA ASP 1 17 3.361 13.665 3.971 1.00 0.00 C ATOM 227 C ASP 1 17 2.824 12.983 5.223 1.00 0.00 C ATOM 228 O ASP 1 17 2.946 13.516 6.322 1.00 0.00 O ATOM 229 CB ASP 1 17 2.187 14.224 3.156 1.00 0.00 C ATOM 230 CG ASP 1 17 2.460 15.621 2.632 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.043 16.433 3.381 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.091 15.903 1.473 1.00 0.00 O ATOM 0 H ASP 1 17 4.593 11.985 3.722 1.00 0.00 H new ATOM 0 HA ASP 1 17 4.010 14.492 4.261 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 1.981 13.558 2.318 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.292 14.241 3.778 1.00 0.00 H new ATOM 237 N CYS 1 18 2.222 11.808 5.038 1.00 0.00 N ATOM 238 CA CYS 1 18 1.641 11.042 6.141 1.00 0.00 C ATOM 239 C CYS 1 18 0.607 11.864 6.898 1.00 0.00 C ATOM 240 O CYS 1 18 -0.581 11.544 6.886 1.00 0.00 O ATOM 241 CB CYS 1 18 2.724 10.564 7.106 1.00 0.00 C ATOM 242 SG CYS 1 18 4.100 9.698 6.289 1.00 0.00 S ATOM 0 H CYS 1 18 2.124 11.363 4.126 1.00 0.00 H new ATOM 0 HA CYS 1 18 1.147 10.173 5.707 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 3.118 11.422 7.650 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 2.274 9.899 7.843 1.00 0.00 H new ATOM 247 N GLY 1 19 1.064 12.920 7.561 1.00 0.00 N ATOM 248 CA GLY 1 19 0.164 13.759 8.317 1.00 0.00 C ATOM 249 C GLY 1 19 -0.384 13.049 9.522 1.00 0.00 C ATOM 250 O GLY 1 19 -0.084 13.420 10.655 1.00 0.00 O ATOM 0 H GLY 1 19 2.042 13.207 7.586 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.688 14.661 8.634 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -0.659 14.077 7.677 1.00 0.00 H new ATOM 254 N SER 1 20 -1.202 12.032 9.286 1.00 0.00 N ATOM 255 CA SER 1 20 -1.803 11.290 10.373 1.00 0.00 C ATOM 256 C SER 1 20 -0.740 10.750 11.316 1.00 0.00 C ATOM 257 O SER 1 20 0.017 9.840 10.977 1.00 0.00 O ATOM 258 CB SER 1 20 -2.687 10.174 9.847 1.00 0.00 C ATOM 259 OG SER 1 20 -1.921 9.056 9.433 1.00 0.00 O ATOM 0 H SER 1 20 -1.460 11.707 8.354 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.434 11.975 10.939 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.389 9.868 10.623 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.279 10.542 9.009 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.978 9.205 9.656 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.664 11.343 12.511 1.00 0.00 N ATOM 266 CA PRO 1 21 0.316 10.974 13.527 1.00 0.00 C ATOM 267 C PRO 1 21 0.346 9.483 13.814 1.00 0.00 C ATOM 268 O PRO 1 21 1.362 8.953 14.264 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.130 11.761 14.757 1.00 0.00 C ATOM 270 CG PRO 1 21 -0.848 12.939 14.200 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.524 12.451 12.946 1.00 0.00 C ATOM 0 HA PRO 1 21 1.332 11.204 13.206 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.781 11.164 15.396 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.722 12.065 15.365 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.577 13.326 14.912 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.155 13.751 13.980 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.543 12.117 13.142 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.585 13.234 12.190 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.756 8.796 13.531 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.815 7.355 13.744 1.00 0.00 C ATOM 281 C ALA 1 22 0.388 6.683 13.088 1.00 0.00 C ATOM 282 O ALA 1 22 0.815 5.602 13.495 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.114 6.788 13.189 1.00 0.00 C ATOM 0 H ALA 1 22 -1.611 9.208 13.158 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.787 7.155 14.815 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.142 5.711 13.356 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.960 7.256 13.693 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.172 6.991 12.120 1.00 0.00 H new ATOM 289 N ASN 1 23 0.929 7.347 12.069 1.00 0.00 N ATOM 290 CA ASN 1 23 2.084 6.847 11.341 1.00 0.00 C ATOM 291 C ASN 1 23 3.290 7.781 11.510 1.00 0.00 C ATOM 292 O ASN 1 23 4.436 7.359 11.365 1.00 0.00 O ATOM 293 CB ASN 1 23 1.732 6.701 9.861 1.00 0.00 C ATOM 294 CG ASN 1 23 0.437 5.941 9.649 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -0.687 6.634 9.792 1.00 0.00 O flip ATOM 296 ND2 ASN 1 23 0.446 4.745 9.359 1.00 0.00 N flip ATOM 0 H ASN 1 23 0.578 8.242 11.729 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.356 5.873 11.748 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.648 7.690 9.411 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.542 6.184 9.347 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 1.333 4.251 9.259 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -0.433 4.248 9.219 1.00 0.00 H new ATOM 303 N CYS 1 24 3.016 9.050 11.822 1.00 0.00 N ATOM 304 CA CYS 1 24 4.061 10.061 12.019 1.00 0.00 C ATOM 305 C CYS 1 24 5.164 9.550 12.942 1.00 0.00 C ATOM 306 O CYS 1 24 5.087 9.701 14.161 1.00 0.00 O ATOM 307 CB CYS 1 24 3.429 11.329 12.603 1.00 0.00 C ATOM 308 SG CYS 1 24 4.463 12.832 12.580 1.00 0.00 S ATOM 0 H CYS 1 24 2.068 9.406 11.945 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.516 10.284 11.054 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.510 11.537 12.054 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.145 11.125 13.635 1.00 0.00 H new ATOM 313 N GLN 1 25 6.192 8.946 12.350 1.00 0.00 N ATOM 314 CA GLN 1 25 7.316 8.412 13.114 1.00 0.00 C ATOM 315 C GLN 1 25 6.831 7.534 14.265 1.00 0.00 C ATOM 316 O GLN 1 25 6.898 7.928 15.430 1.00 0.00 O ATOM 317 CB GLN 1 25 8.178 9.554 13.655 1.00 0.00 C ATOM 318 CG GLN 1 25 8.973 10.278 12.581 1.00 0.00 C ATOM 319 CD GLN 1 25 10.161 11.033 13.144 1.00 0.00 C ATOM 320 OE1 GLN 1 25 11.195 10.442 13.456 1.00 0.00 O ATOM 321 NE2 GLN 1 25 10.019 12.346 13.277 1.00 0.00 N ATOM 0 H GLN 1 25 6.269 8.814 11.342 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.916 7.796 12.444 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.536 10.272 14.166 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 8.868 9.156 14.400 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 9.323 9.555 11.844 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 8.319 10.975 12.058 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 9.144 12.794 13.006 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 10.785 12.907 13.651 1.00 0.00 H new ATOM 330 N ASP 1 26 6.340 6.344 13.932 1.00 0.00 N ATOM 331 CA ASP 1 26 5.845 5.417 14.943 1.00 0.00 C ATOM 332 C ASP 1 26 5.415 4.094 14.316 1.00 0.00 C ATOM 333 O ASP 1 26 5.640 3.027 14.887 1.00 0.00 O ATOM 334 CB ASP 1 26 4.671 6.038 15.701 1.00 0.00 C ATOM 335 CG ASP 1 26 4.645 5.631 17.161 1.00 0.00 C ATOM 336 OD1 ASP 1 26 4.358 4.449 17.443 1.00 0.00 O ATOM 337 OD2 ASP 1 26 4.913 6.495 18.023 1.00 0.00 O ATOM 0 H ASP 1 26 6.275 6.000 12.974 1.00 0.00 H new ATOM 0 HA ASP 1 26 6.659 5.217 15.640 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 4.730 7.124 15.631 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.737 5.738 15.227 1.00 0.00 H new ATOM 342 N ARG 1 27 4.791 4.167 13.144 1.00 0.00 N ATOM 343 CA ARG 1 27 4.328 2.968 12.455 1.00 0.00 C ATOM 344 C ARG 1 27 5.219 2.633 11.260 1.00 0.00 C ATOM 345 O ARG 1 27 6.119 1.800 11.363 1.00 0.00 O ATOM 346 CB ARG 1 27 2.873 3.140 12.005 1.00 0.00 C ATOM 347 CG ARG 1 27 2.323 1.943 11.248 1.00 0.00 C ATOM 348 CD ARG 1 27 2.019 0.784 12.184 1.00 0.00 C ATOM 349 NE ARG 1 27 3.235 0.118 12.643 1.00 0.00 N ATOM 350 CZ ARG 1 27 3.954 -0.714 11.893 1.00 0.00 C ATOM 351 NH1 ARG 1 27 3.582 -0.984 10.647 1.00 0.00 N ATOM 352 NH2 ARG 1 27 5.047 -1.277 12.388 1.00 0.00 N ATOM 0 H ARG 1 27 4.595 5.040 12.654 1.00 0.00 H new ATOM 0 HA ARG 1 27 4.385 2.136 13.157 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 2.250 3.323 12.881 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.800 4.024 11.372 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.415 2.232 10.718 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 3.044 1.625 10.495 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 1.459 1.150 13.045 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 1.382 0.063 11.673 1.00 0.00 H new ATOM 0 HE ARG 1 27 3.552 0.301 13.595 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 2.742 -0.553 10.261 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 4.136 -1.622 10.076 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 5.338 -1.073 13.344 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 5.598 -1.915 11.813 1.00 0.00 H new ATOM 366 N CYS 1 28 4.962 3.278 10.127 1.00 0.00 N ATOM 367 CA CYS 1 28 5.741 3.036 8.919 1.00 0.00 C ATOM 368 C CYS 1 28 5.647 4.223 7.962 1.00 0.00 C ATOM 369 O CYS 1 28 5.786 4.065 6.749 1.00 0.00 O ATOM 370 CB CYS 1 28 5.241 1.767 8.220 1.00 0.00 C ATOM 371 SG CYS 1 28 6.413 0.371 8.265 1.00 0.00 S ATOM 0 H CYS 1 28 4.221 3.971 10.020 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.784 2.906 9.206 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 4.306 1.455 8.685 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 5.017 2.004 7.180 1.00 0.00 H new ATOM 376 N CYS 1 29 5.394 5.409 8.509 1.00 0.00 N ATOM 377 CA CYS 1 29 5.260 6.610 7.688 1.00 0.00 C ATOM 378 C CYS 1 29 5.974 7.807 8.306 1.00 0.00 C ATOM 379 O CYS 1 29 5.931 8.014 9.518 1.00 0.00 O ATOM 380 CB CYS 1 29 3.778 6.941 7.505 1.00 0.00 C ATOM 381 SG CYS 1 29 3.379 7.831 5.970 1.00 0.00 S ATOM 0 H CYS 1 29 5.278 5.564 9.510 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.725 6.406 6.724 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.207 6.013 7.529 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.447 7.541 8.353 1.00 0.00 H new ATOM 386 N ASN 1 30 6.615 8.603 7.455 1.00 0.00 N ATOM 387 CA ASN 1 30 7.320 9.793 7.906 1.00 0.00 C ATOM 388 C ASN 1 30 6.502 11.038 7.634 1.00 0.00 C ATOM 389 O ASN 1 30 6.545 11.604 6.541 1.00 0.00 O ATOM 390 CB ASN 1 30 8.668 9.915 7.214 1.00 0.00 C ATOM 391 CG ASN 1 30 9.703 8.971 7.792 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.797 8.939 9.115 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 10.408 8.279 7.058 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.659 8.443 6.449 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.477 9.697 8.980 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.547 9.710 6.150 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 9.027 10.941 7.302 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.301 8.337 6.045 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 11.100 7.648 7.462 1.00 0.00 H new ATOM 400 N ALA 1 31 5.778 11.472 8.647 1.00 0.00 N ATOM 401 CA ALA 1 31 4.965 12.671 8.543 1.00 0.00 C ATOM 402 C ALA 1 31 5.854 13.886 8.733 1.00 0.00 C ATOM 403 O ALA 1 31 5.527 14.995 8.309 1.00 0.00 O ATOM 404 CB ALA 1 31 3.831 12.649 9.562 1.00 0.00 C ATOM 0 H ALA 1 31 5.735 11.011 9.556 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.506 12.716 7.555 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 3.236 13.557 9.464 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 3.198 11.780 9.383 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 4.247 12.594 10.568 1.00 0.00 H new ATOM 410 N ALA 1 32 7.003 13.646 9.355 1.00 0.00 N ATOM 411 CA ALA 1 32 7.985 14.687 9.594 1.00 0.00 C ATOM 412 C ALA 1 32 9.136 14.566 8.599 1.00 0.00 C ATOM 413 O ALA 1 32 10.055 15.385 8.593 1.00 0.00 O ATOM 414 CB ALA 1 32 8.502 14.593 11.019 1.00 0.00 C ATOM 0 H ALA 1 32 7.275 12.727 9.705 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.512 15.659 9.456 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 9.239 15.378 11.191 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.673 14.715 11.716 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.966 13.619 11.174 1.00 0.00 H new ATOM 420 N THR 1 33 9.084 13.524 7.768 1.00 0.00 N ATOM 421 CA THR 1 33 10.124 13.278 6.779 1.00 0.00 C ATOM 422 C THR 1 33 9.540 13.108 5.374 1.00 0.00 C ATOM 423 O THR 1 33 10.265 12.817 4.423 1.00 0.00 O ATOM 424 CB THR 1 33 10.935 12.046 7.182 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.492 11.537 8.430 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.404 12.326 7.321 1.00 0.00 C ATOM 0 H THR 1 33 8.329 12.838 7.764 1.00 0.00 H new ATOM 0 HA THR 1 33 10.781 14.147 6.750 1.00 0.00 H new ATOM 0 HB THR 1 33 10.781 11.327 6.377 1.00 0.00 H new ATOM 0 HG1 THR 1 33 11.242 11.109 8.893 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.923 11.412 7.609 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.798 12.683 6.369 1.00 0.00 H new ATOM 0 HG23 THR 1 33 12.559 13.087 8.086 1.00 0.00 H new ATOM 434 N CYS 1 34 8.231 13.311 5.250 1.00 0.00 N ATOM 435 CA CYS 1 34 7.543 13.205 3.965 1.00 0.00 C ATOM 436 C CYS 1 34 7.980 11.979 3.162 1.00 0.00 C ATOM 437 O CYS 1 34 8.350 12.099 1.997 1.00 0.00 O ATOM 438 CB CYS 1 34 7.780 14.470 3.133 1.00 0.00 C ATOM 439 SG CYS 1 34 6.504 14.794 1.868 1.00 0.00 S ATOM 0 H CYS 1 34 7.620 13.552 6.031 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.481 13.093 4.185 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.833 15.327 3.805 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.749 14.390 2.641 1.00 0.00 H new ATOM 444 N LYS 1 35 7.929 10.797 3.765 1.00 0.00 N ATOM 445 CA LYS 1 35 8.311 9.589 3.035 1.00 0.00 C ATOM 446 C LYS 1 35 8.157 8.322 3.864 1.00 0.00 C ATOM 447 O LYS 1 35 8.449 8.298 5.056 1.00 0.00 O ATOM 448 CB LYS 1 35 9.751 9.703 2.542 1.00 0.00 C ATOM 449 CG LYS 1 35 9.858 9.999 1.056 1.00 0.00 C ATOM 450 CD LYS 1 35 10.269 8.764 0.271 1.00 0.00 C ATOM 451 CE LYS 1 35 11.745 8.798 -0.092 1.00 0.00 C ATOM 452 NZ LYS 1 35 12.387 7.464 0.071 1.00 0.00 N ATOM 0 H LYS 1 35 7.636 10.647 4.730 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.629 9.509 2.189 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 10.257 10.491 3.099 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 10.276 8.773 2.758 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.900 10.364 0.687 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 10.586 10.794 0.894 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 10.059 7.871 0.860 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.672 8.694 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.858 9.132 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 12.257 9.527 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 13.393 7.529 -0.186 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 12.302 7.156 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.915 6.774 -0.548 1.00 0.00 H new ATOM 466 N LEU 1 36 7.719 7.252 3.212 1.00 0.00 N ATOM 467 CA LEU 1 36 7.564 5.969 3.897 1.00 0.00 C ATOM 468 C LEU 1 36 8.868 5.604 4.604 1.00 0.00 C ATOM 469 O LEU 1 36 9.954 5.830 4.071 1.00 0.00 O ATOM 470 CB LEU 1 36 7.169 4.861 2.916 1.00 0.00 C ATOM 471 CG LEU 1 36 8.269 4.413 1.951 1.00 0.00 C ATOM 472 CD1 LEU 1 36 7.776 3.266 1.081 1.00 0.00 C ATOM 473 CD2 LEU 1 36 8.732 5.579 1.094 1.00 0.00 C ATOM 0 H LEU 1 36 7.467 7.243 2.224 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.765 6.066 4.632 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.837 3.995 3.488 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.315 5.204 2.332 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.120 4.060 2.533 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.570 2.959 0.400 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 7.495 2.424 1.714 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 6.910 3.592 0.505 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 9.514 5.242 0.414 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.891 5.964 0.518 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 9.124 6.369 1.735 1.00 0.00 H new ATOM 485 N THR 1 37 8.759 5.065 5.811 1.00 0.00 N ATOM 486 CA THR 1 37 9.939 4.704 6.589 1.00 0.00 C ATOM 487 C THR 1 37 10.643 3.469 6.033 1.00 0.00 C ATOM 488 O THR 1 37 10.036 2.645 5.349 1.00 0.00 O ATOM 489 CB THR 1 37 9.556 4.467 8.045 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.376 3.691 8.130 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.322 5.749 8.808 1.00 0.00 C ATOM 0 H THR 1 37 7.871 4.868 6.272 1.00 0.00 H new ATOM 0 HA THR 1 37 10.636 5.539 6.522 1.00 0.00 H new ATOM 0 HB THR 1 37 10.402 3.944 8.492 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.611 2.740 8.156 1.00 0.00 H new ATOM 0 HG21 THR 1 37 9.053 5.515 9.838 1.00 0.00 H new ATOM 0 HG22 THR 1 37 10.232 6.350 8.798 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.513 6.309 8.339 1.00 0.00 H new ATOM 499 N PRO 1 38 11.947 3.332 6.334 1.00 0.00 N ATOM 500 CA PRO 1 38 12.759 2.198 5.879 1.00 0.00 C ATOM 501 C PRO 1 38 12.077 0.858 6.120 1.00 0.00 C ATOM 502 O PRO 1 38 11.340 0.689 7.092 1.00 0.00 O ATOM 503 CB PRO 1 38 14.021 2.315 6.732 1.00 0.00 C ATOM 504 CG PRO 1 38 14.143 3.769 7.017 1.00 0.00 C ATOM 505 CD PRO 1 38 12.734 4.278 7.151 1.00 0.00 C ATOM 0 HA PRO 1 38 12.942 2.230 4.805 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.934 1.736 7.651 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.896 1.940 6.201 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.710 3.942 7.931 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.670 4.283 6.213 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.405 4.281 8.190 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.640 5.300 6.784 1.00 0.00 H new ATOM 513 N GLY 1 39 12.326 -0.092 5.226 1.00 0.00 N ATOM 514 CA GLY 1 39 11.727 -1.408 5.355 1.00 0.00 C ATOM 515 C GLY 1 39 10.331 -1.475 4.762 1.00 0.00 C ATOM 516 O GLY 1 39 9.754 -2.555 4.642 1.00 0.00 O ATOM 0 H GLY 1 39 12.932 0.025 4.414 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.363 -2.143 4.861 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.683 -1.681 6.409 1.00 0.00 H new ATOM 520 N SER 1 40 9.787 -0.319 4.390 1.00 0.00 N ATOM 521 CA SER 1 40 8.453 -0.253 3.809 1.00 0.00 C ATOM 522 C SER 1 40 8.505 -0.494 2.304 1.00 0.00 C ATOM 523 O SER 1 40 8.796 0.417 1.530 1.00 0.00 O ATOM 524 CB SER 1 40 7.823 1.110 4.097 1.00 0.00 C ATOM 525 OG SER 1 40 8.527 2.144 3.435 1.00 0.00 O ATOM 0 H SER 1 40 10.252 0.584 4.482 1.00 0.00 H new ATOM 0 HA SER 1 40 7.843 -1.034 4.262 1.00 0.00 H new ATOM 0 HB2 SER 1 40 6.782 1.109 3.774 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.823 1.295 5.171 1.00 0.00 H new ATOM 0 HG SER 1 40 9.022 2.675 4.093 1.00 0.00 H new ATOM 531 N GLN 1 41 8.220 -1.726 1.895 1.00 0.00 N ATOM 532 CA GLN 1 41 8.233 -2.082 0.480 1.00 0.00 C ATOM 533 C GLN 1 41 7.034 -1.486 -0.250 1.00 0.00 C ATOM 534 O GLN 1 41 6.962 -1.533 -1.478 1.00 0.00 O ATOM 535 CB GLN 1 41 8.234 -3.604 0.311 1.00 0.00 C ATOM 536 CG GLN 1 41 9.597 -4.177 -0.039 1.00 0.00 C ATOM 537 CD GLN 1 41 9.502 -5.456 -0.849 1.00 0.00 C ATOM 538 OE1 GLN 1 41 10.043 -5.548 -1.951 1.00 0.00 O ATOM 539 NE2 GLN 1 41 8.810 -6.450 -0.305 1.00 0.00 N ATOM 0 H GLN 1 41 7.978 -2.493 2.522 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.143 -1.671 0.044 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.882 -4.064 1.235 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.524 -3.875 -0.470 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 10.165 -3.436 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 10.151 -4.373 0.879 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 8.378 -6.329 0.611 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 8.710 -7.334 -0.803 1.00 0.00 H new ATOM 548 N CYS 1 42 6.089 -0.937 0.505 1.00 0.00 N ATOM 549 CA CYS 1 42 4.898 -0.350 -0.087 1.00 0.00 C ATOM 550 C CYS 1 42 4.320 0.747 0.796 1.00 0.00 C ATOM 551 O CYS 1 42 4.355 0.661 2.024 1.00 0.00 O ATOM 552 CB CYS 1 42 3.845 -1.433 -0.320 1.00 0.00 C ATOM 553 SG CYS 1 42 2.267 -0.807 -0.980 1.00 0.00 S ATOM 0 H CYS 1 42 6.126 -0.887 1.523 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.183 0.097 -1.040 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.248 -2.173 -1.012 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.654 -1.947 0.622 1.00 0.00 H new ATOM 558 N ASN 1 43 3.773 1.769 0.154 1.00 0.00 N ATOM 559 CA ASN 1 43 3.163 2.884 0.861 1.00 0.00 C ATOM 560 C ASN 1 43 1.653 2.704 0.893 1.00 0.00 C ATOM 561 O ASN 1 43 1.002 2.930 1.914 1.00 0.00 O ATOM 562 CB ASN 1 43 3.524 4.200 0.175 1.00 0.00 C ATOM 563 CG ASN 1 43 3.244 4.172 -1.315 1.00 0.00 C ATOM 564 OD1 ASN 1 43 2.090 4.135 -1.742 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.303 4.190 -2.117 1.00 0.00 N ATOM 0 H ASN 1 43 3.740 1.848 -0.862 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.540 2.910 1.883 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.959 5.012 0.633 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.580 4.414 0.339 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 4.177 4.173 -3.129 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.242 4.221 -1.721 1.00 0.00 H new ATOM 572 N TYR 1 44 1.113 2.277 -0.239 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.316 2.033 -0.380 1.00 0.00 C ATOM 574 C TYR 1 44 -0.603 1.382 -1.730 1.00 0.00 C ATOM 575 O TYR 1 44 0.228 1.429 -2.637 1.00 0.00 O ATOM 576 CB TYR 1 44 -1.106 3.338 -0.230 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.997 4.263 -1.420 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.622 3.954 -2.621 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.270 5.442 -1.341 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.525 4.794 -3.710 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.167 6.290 -2.426 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.796 5.961 -3.609 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.697 6.802 -4.694 1.00 0.00 O ATOM 0 H TYR 1 44 1.652 2.090 -1.085 1.00 0.00 H new ATOM 0 HA TYR 1 44 -0.634 1.354 0.411 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -2.156 3.098 -0.065 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.755 3.863 0.659 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -2.193 3.041 -2.703 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.223 5.701 -0.416 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -2.017 4.540 -4.637 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.402 7.205 -2.349 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.150 7.580 -4.456 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.777 0.778 -1.861 1.00 0.00 N ATOM 594 CA GLY 1 45 -2.136 0.132 -3.107 1.00 0.00 C ATOM 595 C GLY 1 45 -2.686 -1.265 -2.906 1.00 0.00 C ATOM 596 O GLY 1 45 -2.776 -1.754 -1.780 1.00 0.00 O ATOM 0 H GLY 1 45 -2.485 0.724 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.879 0.739 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.258 0.083 -3.752 1.00 0.00 H new ATOM 600 N GLU 1 46 -3.056 -1.905 -4.008 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.609 -3.255 -3.970 1.00 0.00 C ATOM 602 C GLU 1 46 -2.674 -4.225 -3.254 1.00 0.00 C ATOM 603 O GLU 1 46 -3.116 -5.069 -2.475 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.864 -3.752 -5.393 1.00 0.00 C ATOM 605 CG GLU 1 46 -5.187 -3.280 -5.975 1.00 0.00 C ATOM 606 CD GLU 1 46 -5.010 -2.445 -7.228 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.931 -1.836 -7.388 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.950 -2.400 -8.050 1.00 0.00 O ATOM 0 H GLU 1 46 -2.983 -1.509 -4.945 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.547 -3.214 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -3.052 -3.415 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.843 -4.842 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.808 -4.146 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.721 -2.695 -5.226 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.383 -4.110 -3.538 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.385 -4.989 -2.939 1.00 0.00 C ATOM 617 C CYS 1 47 0.225 -4.380 -1.683 1.00 0.00 C ATOM 618 O CYS 1 47 1.418 -4.532 -1.434 1.00 0.00 O ATOM 619 CB CYS 1 47 0.721 -5.282 -3.950 1.00 0.00 C ATOM 620 SG CYS 1 47 0.328 -6.624 -5.112 1.00 0.00 S ATOM 0 H CYS 1 47 -1.001 -3.416 -4.180 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.888 -5.914 -2.656 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 0.930 -4.375 -4.517 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.633 -5.538 -3.411 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.583 -3.691 -0.889 1.00 0.00 N ATOM 626 CA CYS 1 48 -0.079 -3.075 0.331 1.00 0.00 C ATOM 627 C CYS 1 48 -0.682 -3.717 1.574 1.00 0.00 C ATOM 628 O CYS 1 48 -1.898 -3.707 1.767 1.00 0.00 O ATOM 629 CB CYS 1 48 -0.350 -1.573 0.323 1.00 0.00 C ATOM 630 SG CYS 1 48 1.124 -0.568 0.679 1.00 0.00 S ATOM 0 H CYS 1 48 -1.577 -3.545 -1.064 1.00 0.00 H new ATOM 0 HA CYS 1 48 0.998 -3.239 0.362 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -0.747 -1.289 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -1.121 -1.347 1.060 1.00 0.00 H new ATOM 635 N ASP 1 49 0.186 -4.271 2.414 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.242 -4.919 3.646 1.00 0.00 C ATOM 637 C ASP 1 49 0.781 -4.694 4.754 1.00 0.00 C ATOM 638 O ASP 1 49 1.925 -5.140 4.657 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.444 -6.418 3.416 1.00 0.00 C ATOM 640 CG ASP 1 49 -0.993 -7.122 4.642 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -0.225 -7.318 5.607 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -2.190 -7.476 4.636 1.00 0.00 O ATOM 0 H ASP 1 49 1.195 -4.283 2.262 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.190 -4.478 3.953 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.127 -6.566 2.579 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.507 -6.871 3.135 1.00 0.00 H new ATOM 647 N GLN 1 50 0.363 -3.996 5.805 1.00 0.00 N ATOM 648 CA GLN 1 50 1.241 -3.705 6.935 1.00 0.00 C ATOM 649 C GLN 1 50 2.331 -2.712 6.538 1.00 0.00 C ATOM 650 O GLN 1 50 2.233 -1.520 6.830 1.00 0.00 O ATOM 651 CB GLN 1 50 1.870 -4.995 7.473 1.00 0.00 C ATOM 652 CG GLN 1 50 1.426 -5.345 8.884 1.00 0.00 C ATOM 653 CD GLN 1 50 2.463 -6.154 9.638 1.00 0.00 C ATOM 654 OE1 GLN 1 50 3.475 -6.569 9.072 1.00 0.00 O ATOM 655 NE2 GLN 1 50 2.216 -6.383 10.922 1.00 0.00 N ATOM 0 H GLN 1 50 -0.581 -3.620 5.899 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.638 -3.254 7.723 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 1.616 -5.819 6.806 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.955 -4.895 7.457 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 1.217 -4.427 9.433 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 0.494 -5.908 8.838 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 1.364 -6.020 11.350 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 2.878 -6.922 11.480 1.00 0.00 H new ATOM 664 N CYS 1 51 3.371 -3.209 5.873 1.00 0.00 N ATOM 665 CA CYS 1 51 4.476 -2.359 5.440 1.00 0.00 C ATOM 666 C CYS 1 51 5.329 -3.061 4.386 1.00 0.00 C ATOM 667 O CYS 1 51 6.534 -2.829 4.294 1.00 0.00 O ATOM 668 CB CYS 1 51 5.343 -1.966 6.638 1.00 0.00 C ATOM 669 SG CYS 1 51 6.286 -0.425 6.401 1.00 0.00 S ATOM 0 H CYS 1 51 3.471 -4.193 5.623 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.054 -1.459 4.994 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 4.704 -1.857 7.515 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.040 -2.777 6.850 1.00 0.00 H new ATOM 674 N ARG 1 52 4.696 -3.920 3.592 1.00 0.00 N ATOM 675 CA ARG 1 52 5.399 -4.652 2.543 1.00 0.00 C ATOM 676 C ARG 1 52 4.427 -5.128 1.469 1.00 0.00 C ATOM 677 O ARG 1 52 3.211 -5.104 1.666 1.00 0.00 O ATOM 678 CB ARG 1 52 6.145 -5.848 3.139 1.00 0.00 C ATOM 679 CG ARG 1 52 7.391 -5.461 3.918 1.00 0.00 C ATOM 680 CD ARG 1 52 8.208 -6.683 4.306 1.00 0.00 C ATOM 681 NE ARG 1 52 9.174 -7.047 3.273 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.888 -8.171 3.289 1.00 0.00 C ATOM 683 NH1 ARG 1 52 9.747 -9.041 4.281 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.745 -8.425 2.310 1.00 0.00 N ATOM 0 H ARG 1 52 3.699 -4.126 3.655 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.120 -3.976 2.082 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 5.470 -6.395 3.798 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 6.426 -6.528 2.335 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 8.003 -4.789 3.317 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 7.104 -4.914 4.816 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 8.734 -6.486 5.240 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.538 -7.524 4.488 1.00 0.00 H new ATOM 0 HE ARG 1 52 9.310 -6.403 2.494 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 9.089 -8.851 5.037 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 10.297 -9.900 4.288 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 10.857 -7.760 1.545 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.292 -9.286 2.322 1.00 0.00 H new ATOM 698 N PHE 1 53 4.965 -5.561 0.331 1.00 0.00 N ATOM 699 CA PHE 1 53 4.133 -6.041 -0.766 1.00 0.00 C ATOM 700 C PHE 1 53 3.486 -7.371 -0.413 1.00 0.00 C ATOM 701 O PHE 1 53 4.127 -8.253 0.158 1.00 0.00 O ATOM 702 CB PHE 1 53 4.954 -6.190 -2.053 1.00 0.00 C ATOM 703 CG PHE 1 53 5.206 -4.892 -2.769 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.264 -3.877 -2.747 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.386 -4.689 -3.465 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.491 -2.684 -3.400 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.621 -3.496 -4.124 1.00 0.00 C ATOM 708 CZ PHE 1 53 5.672 -2.492 -4.091 1.00 0.00 C ATOM 0 H PHE 1 53 5.968 -5.589 0.146 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.350 -5.301 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.911 -6.651 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.434 -6.870 -2.727 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.338 -4.022 -2.210 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.131 -5.471 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 3.747 -1.901 -3.371 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.545 -3.349 -4.664 1.00 0.00 H new ATOM 0 HZ PHE 1 53 5.853 -1.559 -4.604 1.00 0.00 H new ATOM 718 N LYS 1 54 2.213 -7.513 -0.763 1.00 0.00 N ATOM 719 CA LYS 1 54 1.486 -8.744 -0.486 1.00 0.00 C ATOM 720 C LYS 1 54 2.154 -9.922 -1.186 1.00 0.00 C ATOM 721 O LYS 1 54 2.027 -10.084 -2.397 1.00 0.00 O ATOM 722 CB LYS 1 54 0.031 -8.618 -0.942 1.00 0.00 C ATOM 723 CG LYS 1 54 -0.837 -7.810 0.008 1.00 0.00 C ATOM 724 CD LYS 1 54 -1.461 -8.690 1.081 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.962 -8.467 1.182 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.295 -7.336 2.091 1.00 0.00 N ATOM 0 H LYS 1 54 1.666 -6.794 -1.237 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.501 -8.920 0.590 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 0.007 -8.153 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.395 -9.616 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -0.236 -7.032 0.479 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -1.624 -7.308 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -1.262 -9.738 0.855 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -0.995 -8.478 2.043 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.367 -8.267 0.190 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -3.441 -9.377 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -4.327 -7.270 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -2.859 -7.498 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -2.932 -6.449 1.688 1.00 0.00 H new ATOM 740 N LYS 1 55 2.873 -10.736 -0.414 1.00 0.00 N ATOM 741 CA LYS 1 55 3.578 -11.901 -0.952 1.00 0.00 C ATOM 742 C LYS 1 55 2.848 -12.494 -2.154 1.00 0.00 C ATOM 743 O LYS 1 55 1.643 -12.757 -2.096 1.00 0.00 O ATOM 744 CB LYS 1 55 3.741 -12.967 0.133 1.00 0.00 C ATOM 745 CG LYS 1 55 4.527 -14.185 -0.323 1.00 0.00 C ATOM 746 CD LYS 1 55 6.024 -13.974 -0.163 1.00 0.00 C ATOM 747 CE LYS 1 55 6.818 -14.985 -0.974 1.00 0.00 C ATOM 748 NZ LYS 1 55 8.269 -14.652 -1.009 1.00 0.00 N ATOM 0 H LYS 1 55 2.983 -10.610 0.592 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.561 -11.567 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 4.242 -12.524 0.994 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.754 -13.286 0.468 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 4.218 -15.056 0.254 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.298 -14.397 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 6.286 -12.965 -0.480 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 6.294 -14.058 0.890 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 6.684 -15.979 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 6.429 -15.020 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 8.775 -15.365 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 8.400 -13.714 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 8.647 -14.643 -0.040 1.00 0.00 H new ATOM 762 N ALA 1 56 3.586 -12.694 -3.246 1.00 0.00 N ATOM 763 CA ALA 1 56 3.009 -13.250 -4.465 1.00 0.00 C ATOM 764 C ALA 1 56 2.043 -14.374 -4.139 1.00 0.00 C ATOM 765 O ALA 1 56 2.380 -15.307 -3.409 1.00 0.00 O ATOM 766 CB ALA 1 56 4.093 -13.754 -5.398 1.00 0.00 C ATOM 0 H ALA 1 56 4.581 -12.479 -3.309 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.462 -12.452 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.636 -14.163 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.753 -12.930 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.670 -14.532 -4.898 1.00 0.00 H new ATOM 772 N GLY 1 57 0.835 -14.268 -4.662 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.169 -15.275 -4.390 1.00 0.00 C ATOM 774 C GLY 1 57 -1.344 -14.702 -3.627 1.00 0.00 C ATOM 775 O GLY 1 57 -2.370 -15.362 -3.465 1.00 0.00 O ATOM 0 H GLY 1 57 0.530 -13.506 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.519 -15.703 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 0.277 -16.087 -3.816 1.00 0.00 H new ATOM 779 N THR 1 58 -1.198 -13.460 -3.168 1.00 0.00 N ATOM 780 CA THR 1 58 -2.263 -12.789 -2.439 1.00 0.00 C ATOM 781 C THR 1 58 -3.286 -12.215 -3.413 1.00 0.00 C ATOM 782 O THR 1 58 -3.024 -11.209 -4.073 1.00 0.00 O ATOM 783 CB THR 1 58 -1.692 -11.663 -1.576 1.00 0.00 C ATOM 784 OG1 THR 1 58 -0.711 -12.161 -0.683 1.00 0.00 O ATOM 785 CG2 THR 1 58 -2.747 -10.958 -0.756 1.00 0.00 C ATOM 0 H THR 1 58 -0.353 -12.902 -3.290 1.00 0.00 H new ATOM 0 HA THR 1 58 -2.750 -13.520 -1.793 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.256 -10.949 -2.275 1.00 0.00 H new ATOM 0 HG1 THR 1 58 0.108 -12.369 -1.180 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.281 -10.170 -0.165 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.493 -10.521 -1.420 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.229 -11.674 -0.090 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.447 -12.854 -3.509 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.486 -12.387 -4.418 1.00 0.00 C ATOM 795 C VAL 1 59 -5.993 -11.011 -4.005 1.00 0.00 C ATOM 796 O VAL 1 59 -6.527 -10.839 -2.910 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.684 -13.359 -4.486 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.331 -13.511 -3.117 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.702 -12.883 -5.515 1.00 0.00 C ATOM 0 H VAL 1 59 -4.690 -13.688 -2.975 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.027 -12.333 -5.405 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.315 -14.336 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.173 -14.200 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -6.599 -13.903 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.685 -12.540 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.539 -13.581 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.065 -11.894 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.231 -12.834 -6.497 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.829 -10.037 -4.890 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.282 -8.675 -4.613 1.00 0.00 C ATOM 811 C CYS 1 60 -7.488 -8.319 -5.477 1.00 0.00 C ATOM 812 O CYS 1 60 -8.264 -7.424 -5.139 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.160 -7.658 -4.854 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.474 -8.337 -4.743 1.00 0.00 S ATOM 0 H CYS 1 60 -5.389 -10.160 -5.802 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.571 -8.635 -3.563 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.294 -7.218 -5.842 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.259 -6.850 -4.129 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.634 -9.018 -6.598 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.737 -8.772 -7.518 1.00 0.00 C ATOM 821 C ARG 1 61 -9.079 -10.031 -8.305 1.00 0.00 C ATOM 822 O ARG 1 61 -8.480 -11.087 -8.103 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.384 -7.641 -8.489 1.00 0.00 C ATOM 824 CG ARG 1 61 -7.658 -6.478 -7.835 1.00 0.00 C ATOM 825 CD ARG 1 61 -7.493 -5.309 -8.795 1.00 0.00 C ATOM 826 NE ARG 1 61 -6.732 -5.677 -9.989 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.031 -4.811 -10.719 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.996 -3.526 -10.390 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.365 -5.233 -11.785 1.00 0.00 N ATOM 0 H ARG 1 61 -7.000 -9.761 -6.891 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.605 -8.480 -6.927 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.762 -8.042 -9.289 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -9.300 -7.272 -8.951 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -8.212 -6.151 -6.955 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -6.678 -6.808 -7.491 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -8.476 -4.943 -9.091 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -6.989 -4.489 -8.283 1.00 0.00 H new ATOM 0 HE ARG 1 61 -6.739 -6.655 -10.280 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -6.508 -3.195 -9.573 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -5.457 -2.870 -10.954 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.390 -6.219 -12.045 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.828 -4.572 -12.345 1.00 0.00 H new ATOM 843 N ILE 1 62 -10.036 -9.903 -9.210 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.456 -11.012 -10.048 1.00 0.00 C ATOM 845 C ILE 1 62 -11.582 -10.578 -10.969 1.00 0.00 C ATOM 846 O ILE 1 62 -12.498 -9.864 -10.562 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.893 -12.236 -9.217 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.110 -13.458 -10.121 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.140 -11.928 -8.399 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -12.351 -13.383 -10.982 1.00 0.00 C ATOM 0 H ILE 1 62 -10.540 -9.033 -9.383 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.594 -11.312 -10.644 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.091 -12.473 -8.518 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -10.240 -13.576 -10.767 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -11.168 -14.351 -9.498 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.425 -12.809 -7.824 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.934 -11.101 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.955 -11.653 -9.068 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -12.428 -14.285 -11.589 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -13.231 -13.298 -10.345 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -12.289 -12.512 -11.634 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.493 -11.004 -12.216 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.492 -10.653 -13.218 1.00 0.00 C ATOM 864 C ALA 1 63 -13.902 -11.062 -12.768 1.00 0.00 C ATOM 865 O ALA 1 63 -14.498 -10.384 -11.932 1.00 0.00 O ATOM 866 CB ALA 1 63 -12.122 -11.249 -14.570 1.00 0.00 C ATOM 0 H ALA 1 63 -10.738 -11.596 -12.563 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.504 -9.569 -13.330 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.878 -10.977 -15.307 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -11.153 -10.862 -14.885 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -12.070 -12.335 -14.487 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.443 -12.158 -13.308 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.782 -12.597 -12.917 1.00 0.00 C ATOM 874 C ARG 1 64 -15.873 -14.117 -12.827 1.00 0.00 C ATOM 875 O ARG 1 64 -16.278 -14.779 -13.781 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.820 -12.073 -13.911 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.380 -10.709 -13.544 1.00 0.00 C ATOM 878 CD ARG 1 64 -16.533 -9.586 -14.119 1.00 0.00 C ATOM 879 NE ARG 1 64 -17.347 -8.451 -14.549 1.00 0.00 N ATOM 880 CZ ARG 1 64 -16.861 -7.232 -14.772 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -15.567 -6.985 -14.607 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -17.670 -6.257 -15.162 1.00 0.00 N ATOM 0 H ARG 1 64 -13.984 -12.746 -14.003 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.987 -12.189 -11.927 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.367 -12.016 -14.901 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.641 -12.787 -13.977 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -18.401 -10.622 -13.915 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.425 -10.613 -12.459 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -15.815 -9.254 -13.370 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -15.959 -9.962 -14.966 1.00 0.00 H new ATOM 0 HE ARG 1 64 -18.346 -8.602 -14.686 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -14.939 -7.731 -14.308 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -15.200 -6.049 -14.779 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -18.665 -6.441 -15.291 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -17.298 -5.323 -15.333 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.513 -14.666 -11.674 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.574 -16.103 -11.493 1.00 0.00 C ATOM 898 C GLY 1 65 -14.292 -16.665 -10.922 1.00 0.00 C ATOM 899 O GLY 1 65 -14.004 -16.495 -9.737 1.00 0.00 O ATOM 0 H GLY 1 65 -15.181 -14.144 -10.863 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.403 -16.348 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.782 -16.579 -12.451 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.516 -17.331 -11.769 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.251 -17.914 -11.343 1.00 0.00 C ATOM 905 C ASP 1 66 -11.543 -18.607 -12.502 1.00 0.00 C ATOM 906 O ASP 1 66 -11.729 -19.802 -12.736 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.474 -18.904 -10.198 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.343 -18.886 -9.188 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.162 -17.846 -8.519 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -10.640 -19.910 -9.066 1.00 0.00 O ATOM 0 H ASP 1 66 -13.741 -17.480 -12.753 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.615 -17.102 -10.991 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -13.411 -18.667 -9.694 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.577 -19.910 -10.606 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.728 -17.844 -13.218 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.975 -18.365 -14.355 1.00 0.00 C ATOM 917 C TRP 1 67 -8.484 -18.191 -14.120 1.00 0.00 C ATOM 918 O TRP 1 67 -7.746 -19.158 -13.927 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.379 -17.639 -15.644 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.323 -16.499 -15.421 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -11.053 -15.305 -14.810 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.695 -16.450 -15.807 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.181 -14.528 -14.786 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.200 -15.206 -15.396 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.545 -17.341 -16.460 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.516 -14.830 -15.616 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.857 -16.968 -16.682 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.332 -15.720 -16.260 1.00 0.00 C ATOM 0 H TRP 1 67 -10.570 -16.854 -13.031 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.202 -19.426 -14.459 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.481 -17.265 -16.137 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.841 -18.354 -16.324 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -10.093 -15.018 -14.407 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -12.250 -13.595 -14.379 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.185 -18.305 -16.787 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.884 -13.868 -15.291 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.526 -17.649 -17.188 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.362 -15.455 -16.446 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.060 -16.938 -14.136 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.665 -16.585 -13.925 1.00 0.00 C ATOM 941 C ASN 1 68 -6.484 -15.973 -12.541 1.00 0.00 C ATOM 942 O ASN 1 68 -5.443 -16.139 -11.905 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.198 -15.598 -14.999 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.853 -15.848 -16.346 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.109 -15.432 -16.482 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.238 -16.408 -17.254 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.672 -16.138 -14.295 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.062 -17.490 -13.995 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.420 -14.581 -14.674 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.116 -15.669 -15.107 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.275 -16.711 -17.107 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.691 -16.569 -18.153 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.516 -15.269 -12.081 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.490 -14.632 -10.770 1.00 0.00 C ATOM 955 C ASP 1 69 -6.387 -13.588 -10.683 1.00 0.00 C ATOM 956 O ASP 1 69 -5.315 -13.750 -11.267 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.292 -15.679 -9.676 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.588 -16.362 -9.286 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.085 -17.190 -10.078 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.106 -16.069 -8.188 1.00 0.00 O ATOM 0 H ASP 1 69 -8.382 -15.126 -12.600 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.448 -14.133 -10.626 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.579 -16.428 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.856 -15.204 -8.797 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.652 -12.522 -9.939 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.677 -11.458 -9.763 1.00 0.00 C ATOM 967 C ASP 1 70 -4.830 -11.724 -8.531 1.00 0.00 C ATOM 968 O ASP 1 70 -5.356 -11.866 -7.428 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.373 -10.105 -9.636 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.434 -8.950 -9.894 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.404 -8.867 -9.198 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.729 -8.128 -10.787 1.00 0.00 O ATOM 0 H ASP 1 70 -7.534 -12.373 -9.449 1.00 0.00 H new ATOM 0 HA ASP 1 70 -5.031 -11.434 -10.641 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -7.204 -10.059 -10.340 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.797 -10.009 -8.636 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.519 -11.819 -8.722 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.623 -12.106 -7.613 1.00 0.00 C ATOM 979 C TYR 1 71 -1.409 -11.198 -7.575 1.00 0.00 C ATOM 980 O TYR 1 71 -0.839 -10.849 -8.607 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.160 -13.547 -7.697 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.192 -14.516 -7.210 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.418 -14.667 -5.858 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -3.937 -15.272 -8.096 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.360 -15.550 -5.387 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -4.888 -16.159 -7.642 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.099 -16.297 -6.283 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.045 -17.184 -5.822 1.00 0.00 O ATOM 0 H TYR 1 71 -3.059 -11.703 -9.625 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.188 -11.928 -6.698 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.906 -13.783 -8.730 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.250 -13.666 -7.109 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -2.844 -14.080 -5.156 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.771 -15.166 -9.158 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.521 -15.659 -4.325 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.465 -16.743 -8.344 1.00 0.00 H new ATOM 0 HH TYR 1 71 -6.475 -17.628 -6.582 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.011 -10.844 -6.360 1.00 0.00 N ATOM 999 CA CYS 1 72 0.149 -9.999 -6.150 1.00 0.00 C ATOM 1000 C CYS 1 72 1.411 -10.722 -6.605 1.00 0.00 C ATOM 1001 O CYS 1 72 1.404 -11.941 -6.785 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.261 -9.620 -4.676 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.355 -8.199 -4.361 1.00 0.00 S ATOM 0 H CYS 1 72 -1.481 -11.133 -5.502 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.034 -9.089 -6.738 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.734 -9.392 -4.293 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.629 -10.480 -4.117 1.00 0.00 H new ATOM 1008 N THR 1 73 2.487 -9.969 -6.795 1.00 0.00 N ATOM 1009 CA THR 1 73 3.751 -10.547 -7.238 1.00 0.00 C ATOM 1010 C THR 1 73 4.872 -10.291 -6.230 1.00 0.00 C ATOM 1011 O THR 1 73 6.031 -10.618 -6.485 1.00 0.00 O ATOM 1012 CB THR 1 73 4.130 -9.975 -8.603 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.551 -8.628 -8.481 1.00 0.00 O ATOM 1014 CG2 THR 1 73 2.991 -10.011 -9.597 1.00 0.00 C ATOM 0 H THR 1 73 2.511 -8.960 -6.650 1.00 0.00 H new ATOM 0 HA THR 1 73 3.619 -11.626 -7.318 1.00 0.00 H new ATOM 0 HB THR 1 73 4.937 -10.608 -8.972 1.00 0.00 H new ATOM 0 HG1 THR 1 73 4.470 -8.180 -9.349 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.323 -9.591 -10.546 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.672 -11.042 -9.748 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.155 -9.425 -9.214 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.523 -9.712 -5.085 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.512 -9.431 -4.060 1.00 0.00 C ATOM 1024 C GLY 1 74 6.677 -8.602 -4.571 1.00 0.00 C ATOM 1025 O GLY 1 74 7.753 -8.602 -3.973 1.00 0.00 O ATOM 0 H GLY 1 74 3.571 -9.432 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 5.033 -8.904 -3.235 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.890 -10.372 -3.660 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.467 -7.893 -5.676 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.516 -7.061 -6.255 1.00 0.00 C ATOM 1031 C LYS 1 75 6.974 -5.704 -6.707 1.00 0.00 C ATOM 1032 O LYS 1 75 7.690 -4.923 -7.335 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.176 -7.785 -7.434 1.00 0.00 C ATOM 1034 CG LYS 1 75 7.331 -7.799 -8.700 1.00 0.00 C ATOM 1035 CD LYS 1 75 7.116 -9.214 -9.213 1.00 0.00 C ATOM 1036 CE LYS 1 75 8.304 -9.697 -10.030 1.00 0.00 C ATOM 1037 NZ LYS 1 75 8.382 -9.017 -11.352 1.00 0.00 N ATOM 0 H LYS 1 75 5.584 -7.878 -6.186 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.262 -6.881 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 9.131 -7.308 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 8.392 -8.813 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 6.366 -7.333 -8.499 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 7.819 -7.202 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 6.955 -9.887 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 6.215 -9.247 -9.825 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 9.224 -9.517 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 8.228 -10.774 -10.180 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 9.033 -9.539 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 7.437 -8.991 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 8.730 -8.046 -11.223 1.00 0.00 H new ATOM 1051 N SER 1 76 5.712 -5.424 -6.389 1.00 0.00 N ATOM 1052 CA SER 1 76 5.094 -4.159 -6.770 1.00 0.00 C ATOM 1053 C SER 1 76 3.800 -3.927 -5.996 1.00 0.00 C ATOM 1054 O SER 1 76 3.259 -4.844 -5.380 1.00 0.00 O ATOM 1055 CB SER 1 76 4.809 -4.137 -8.274 1.00 0.00 C ATOM 1056 OG SER 1 76 5.871 -4.724 -9.006 1.00 0.00 O ATOM 0 H SER 1 76 5.100 -6.054 -5.870 1.00 0.00 H new ATOM 0 HA SER 1 76 5.792 -3.358 -6.526 1.00 0.00 H new ATOM 0 HB2 SER 1 76 3.883 -4.673 -8.479 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.662 -3.109 -8.604 1.00 0.00 H new ATOM 0 HG SER 1 76 6.725 -4.363 -8.689 1.00 0.00 H new ATOM 1062 N SER 1 77 3.309 -2.692 -6.038 1.00 0.00 N ATOM 1063 CA SER 1 77 2.076 -2.329 -5.347 1.00 0.00 C ATOM 1064 C SER 1 77 0.853 -2.587 -6.227 1.00 0.00 C ATOM 1065 O SER 1 77 -0.255 -2.162 -5.901 1.00 0.00 O ATOM 1066 CB SER 1 77 2.116 -0.855 -4.933 1.00 0.00 C ATOM 1067 OG SER 1 77 1.665 -0.015 -5.982 1.00 0.00 O ATOM 0 H SER 1 77 3.748 -1.923 -6.545 1.00 0.00 H new ATOM 0 HA SER 1 77 1.995 -2.952 -4.456 1.00 0.00 H new ATOM 0 HB2 SER 1 77 1.494 -0.705 -4.051 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.134 -0.580 -4.655 1.00 0.00 H new ATOM 0 HG SER 1 77 1.699 0.920 -5.690 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.059 -3.280 -7.345 1.00 0.00 N ATOM 1074 CA ASP 1 78 -0.030 -3.582 -8.265 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.340 -5.075 -8.282 1.00 0.00 C ATOM 1076 O ASP 1 78 0.546 -5.909 -8.098 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.322 -3.107 -9.676 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.692 -3.581 -10.120 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.801 -4.738 -10.578 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.656 -2.795 -10.009 1.00 0.00 O ATOM 0 H ASP 1 78 1.968 -3.641 -7.633 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.918 -3.053 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 -0.430 -3.470 -10.377 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.289 -2.018 -9.709 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.608 -5.399 -8.505 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.055 -6.786 -8.552 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.650 -7.113 -9.924 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.771 -6.708 -10.231 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.099 -7.034 -7.461 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.981 -8.674 -6.681 1.00 0.00 S ATOM 0 H CYS 1 79 -2.349 -4.715 -8.657 1.00 0.00 H new ATOM 0 HA CYS 1 79 -1.195 -7.434 -8.382 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.994 -6.269 -6.692 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -4.094 -6.919 -7.892 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.907 -7.848 -10.772 1.00 0.00 N ATOM 1096 CA PRO 1 80 -2.374 -8.220 -12.116 1.00 0.00 C ATOM 1097 C PRO 1 80 -3.461 -9.296 -12.092 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.336 -10.303 -11.397 1.00 0.00 O ATOM 1099 CB PRO 1 80 -1.110 -8.759 -12.786 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.284 -9.279 -11.662 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.554 -8.368 -10.496 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.830 -7.376 -12.633 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -1.346 -9.546 -13.502 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 -0.586 -7.976 -13.334 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.552 -10.308 -11.424 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 0.775 -9.277 -11.922 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.516 -8.906 -9.549 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.180 -7.565 -10.436 1.00 0.00 H new ATOM 1109 N TRP 1 81 -4.522 -9.075 -12.869 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.637 -10.029 -12.955 1.00 0.00 C ATOM 1111 C TRP 1 81 -5.163 -11.379 -13.470 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.837 -12.393 -13.294 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.745 -9.524 -13.891 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.676 -8.067 -14.223 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.974 -7.486 -15.240 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.347 -7.011 -13.542 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -6.170 -6.127 -15.228 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -7.011 -5.812 -14.193 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.200 -6.967 -12.442 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -7.502 -4.580 -13.779 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -8.689 -5.744 -12.028 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -8.340 -4.563 -12.696 1.00 0.00 C ATOM 0 H TRP 1 81 -4.636 -8.244 -13.450 1.00 0.00 H new ATOM 0 HA TRP 1 81 -6.033 -10.131 -11.945 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -6.705 -10.095 -14.819 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -7.711 -9.731 -13.431 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -5.356 -8.017 -15.949 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.758 -5.462 -15.882 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.474 -7.873 -11.922 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.233 -3.669 -14.293 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -9.351 -5.697 -11.176 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -8.740 -3.621 -12.350 1.00 0.00 H new ATOM 1133 N ASN 1 82 -4.017 -11.374 -14.139 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.458 -12.589 -14.725 1.00 0.00 C ATOM 1135 C ASN 1 82 -4.181 -12.909 -16.029 1.00 0.00 C ATOM 1136 O ASN 1 82 -4.291 -14.068 -16.427 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.575 -13.768 -13.755 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.615 -14.892 -14.091 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.865 -15.687 -14.997 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.509 -14.965 -13.359 1.00 0.00 N ATOM 0 H ASN 1 82 -3.453 -10.538 -14.291 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.400 -12.422 -14.929 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.382 -13.420 -12.740 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.596 -14.149 -13.772 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.826 -15.701 -13.538 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.342 -14.285 -12.618 1.00 0.00 H new ATOM 1147 N HIS 1 83 -4.682 -11.862 -16.683 1.00 0.00 N ATOM 1148 CA HIS 1 83 -5.410 -12.006 -17.937 1.00 0.00 C ATOM 1149 C HIS 1 83 -4.526 -11.649 -19.128 1.00 0.00 C ATOM 1150 O HIS 1 83 -3.957 -12.576 -19.741 1.00 0.00 O ATOM 1151 CB HIS 1 83 -6.654 -11.115 -17.918 1.00 0.00 C ATOM 1152 CG HIS 1 83 -7.539 -11.375 -16.741 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -7.659 -12.468 -15.954 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -8.423 -10.444 -16.238 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -8.600 -12.181 -14.998 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -9.044 -10.954 -15.189 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -4.412 -10.444 -19.439 1.00 0.00 O ATOM 0 H HIS 1 83 -4.594 -10.899 -16.360 1.00 0.00 H new ATOM 0 HA HIS 1 83 -5.713 -13.048 -18.042 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -6.346 -10.070 -17.910 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -7.222 -11.273 -18.835 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -7.145 -13.344 -16.053 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -8.583 -9.454 -16.638 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.925 -12.851 -14.216 1.00 0.00 H new